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Sample records for vibration dissociation coupling

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

    Science.gov (United States)

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

    2018-03-01

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

  2. The rate parameters for coupled vibration-dissociation in a generalized SSH approximation. [Schwarz, Slawsky, and Herzfeld

    Science.gov (United States)

    Sharma, Surendra P.; Huo, Winifred M.; Park, Chul

    1988-01-01

    A theoretical study of vibrational excitations and dissociations of nitrogen undergoing a nonequilibrium relaxation process upon heating and cooling is reported. The rate coefficients for collisional induced vibrational transitions and transitions from a bound vibrational state into a dissociative state have been calculated using an extension of the theory originally proposed by Schwarz (SSH) et al. (1952). High-lying vibrational states and dissociative states were explicitly included but rotational energy transfer was neglected. The transition probabilities calculated from the SSH theory were fed into the master equation, which was integrated numerically to determine the population distribution of the vibrational states as well as bulk thermodynamic properties. The results show that: (1) the transition rates have a minimum near the middle of the bound vibrational levels, causing a bottleneck in the vibrational relaxation and dissociation rates; (2) high vibrational states are always in equilibrium with the dissociative state; (3) for the heating case, only the low vibrational states relax according to the Landau-Teller theory; (4) for the cooling case, vibrational relaxation cannot be described by a rate equation; (5) Park's (1985, 1988) two-temperature model is approximately valid; and (6) the average vibrational energy removed in dissociation is about 30 percent of the dissociation energy.

  3. Heterogeneous Dynamics of Coupled Vibrations

    NARCIS (Netherlands)

    Cringus, Dan; Jansen, Thomas I. C.; Pshenichnikov, Maxim S.; Schoenlein, RW; Corkum, P; DeSilvestri, S; Nelson, KA; Riedle, E

    2009-01-01

    Frequency-dependent dynamics of coupled stretch vibrations of a water molecule are revealed by 2D IR correlation spectroscopy. These are caused by non-Gaussian fluctuations of the environment around the individual OH stretch vibrations.

  4. Vibrational coupling in plasmonic molecules.

    Science.gov (United States)

    Yi, Chongyue; Dongare, Pratiksha D; Su, Man-Nung; Wang, Wenxiao; Chakraborty, Debadi; Wen, Fangfang; Chang, Wei-Shun; Sader, John E; Nordlander, Peter; Halas, Naomi J; Link, Stephan

    2017-10-31

    Plasmon hybridization theory, inspired by molecular orbital theory, has been extremely successful in describing the near-field coupling in clusters of plasmonic nanoparticles, also known as plasmonic molecules. However, the vibrational modes of plasmonic molecules have been virtually unexplored. By designing precisely configured plasmonic molecules of varying complexity and probing them at the individual plasmonic molecule level, intramolecular coupling of acoustic modes, mediated by the underlying substrate, is observed. The strength of this coupling can be manipulated through the configuration of the plasmonic molecules. Surprisingly, classical continuum elastic theory fails to account for the experimental trends, which are well described by a simple coupled oscillator picture that assumes the vibrational coupling is mediated by coherent phonons with low energies. These findings provide a route to the systematic optical control of the gigahertz response of metallic nanostructures, opening the door to new optomechanical device strategies. Published under the PNAS license.

  5. Rate coefficients for dissociative attachment and resonant electron-impact dissociation involving vibrationally excited O{sub 2} molecules

    Energy Technology Data Exchange (ETDEWEB)

    Laporta, V. [Istituto di Metodologie Inorganiche e dei Plasmi, CNR, Bari, Italy and Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom); Celiberto, R. [Dipartimento di Ingegneria Civile, Ambientale, del Territorio, Edile e di Chimica, Politecnico di Bari, Italy and Istituto di Metodologie Inorganiche e dei Plasmi, CNR, Bari (Italy); Tennyson, J. [Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom)

    2014-12-09

    Rate coefficients for dissociative electron attachment and electron-impact dissociation processes, involving vibrationally excited molecular oxygen, are presented. Analytical fits of the calculated numerical data, useful in the applications, are also provided.

  6. Selfconsistent vibrational and free electron kinetics for CO2 dissociation in cold plasmas

    Science.gov (United States)

    Capitelli, Mario

    2016-09-01

    The activation of CO2 by cold plasmas is receiving new theoretical interest thanks to two European groups. The Bogaerts group developed a global model for the activation of CO2 trying to reproduce the experimental values for DBD and microwave discharges. The approach of Pietanza et al was devoted to understand the dependence of electron energy distribution function (eedf) of pure CO2 on the presence of concentrations of electronically and vibrationally excited states taken as parameter. To understand the importance of the vibrational excitation in the dissociation process Pietanza et al compared an upper limit to the dissociation process from a pure vibrational mechanism (PVM) with the corresponding electron impact dissociation rate, the prevalence of the two models depending on the reduced electric field and on the choice of the electron molecule cross section database. Improvement of the Pietanza et al model is being considered by coupling the time dependent Boltzmann solver with the non equilibrium vibrational kinetics of asymmetric mode and with simplified plasma chemistry kinetics describing the ionization/recombination process and the excitation-deexcitation of a metastable level at 10.5eV. A new PVM mechanism is also considered. Preliminary results, for both discharge and post discharge conditions, emphasize the action of superelastic collisions involving both vibrationally and electronically excited states in affecting the eedf. The new results can be used to plan a road map for future developments of numerical codes for rationalizing existing experimental values, as well as, for indicating new experimental situations.

  7. Multiple Rabi Splittings under Ultrastrong Vibrational Coupling.

    Science.gov (United States)

    George, Jino; Chervy, Thibault; Shalabney, Atef; Devaux, Eloïse; Hiura, Hidefumi; Genet, Cyriaque; Ebbesen, Thomas W

    2016-10-07

    From the high vibrational dipolar strength offered by molecular liquids, we demonstrate that a molecular vibration can be ultrastrongly coupled to multiple IR cavity modes, with Rabi splittings reaching 24% of the vibration frequencies. As a proof of the ultrastrong coupling regime, our experimental data unambiguously reveal the contributions to the polaritonic dynamics coming from the antiresonant terms in the interaction energy and from the dipolar self-energy of the molecular vibrations themselves. In particular, we measure the opening of a genuine vibrational polaritonic band gap of ca. 60 meV. We also demonstrate that the multimode splitting effect defines a whole vibrational ladder of heavy polaritonic states perfectly resolved. These findings reveal the broad possibilities in the vibrational ultrastrong coupling regime which impact both the optical and the molecular properties of such coupled systems, in particular, in the context of mode-selective chemistry.

  8. Coupled rotor/airframe vibration analysis

    Science.gov (United States)

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

    1982-01-01

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

  9. Dissociative electron attachment and vibrational excitation of CF{sub 3}Cl: Effect of two vibrational modes revisited

    Energy Technology Data Exchange (ETDEWEB)

    Tarana, Michal [Department of Physics and Astronomy, University of Nebraska, Lincoln, Nebraska 68588 (United States); JILA, University of Colorado and NIST, Boulder, Colorado 80309-0440 (United States); Houfek, Karel; Horacek, Jiri [Institute of Theoretical Physics, Faculty of Mathematics and Physics, Charles University in Prague, V Holesovickach 2, Prague (Czech Republic); Fabrikant, Ilya I. [Department of Physics and Astronomy, University of Nebraska, Lincoln, Nebraska 68588 (United States); Department of Physics and Astronomy, Open University, Walton Hall, Milton Keynes MK7 6AA (United Kingdom)

    2011-11-15

    We present a study of dissociative electron attachment and vibrational excitation processes in electron collisions with the CF{sub 3}Cl molecule. The calculations are based on the two-dimensional nuclear dynamics including the C-Cl symmetric stretch coordinate and the CF{sub 3} symmetric deformation (umbrella) coordinate. The complex potential energy surfaces are calculated using the ab initio R-matrix method. The results for dissociative attachment and vibrational excitation of the umbrella mode agree quite well with experiment whereas the cross section for excitation of the C-Cl symmetric stretch vibrations is about a factor-of-three too low in comparison with experimental data.

  10. Vibrationally coupled electron transport through single-molecule junctions

    Energy Technology Data Exchange (ETDEWEB)

    Haertle, Rainer

    2012-04-26

    Single-molecule junctions are among the smallest electric circuits. They consist of a molecule that is bound to a left and a right electrode. With such a molecular nanocontact, the flow of electrical currents through a single molecule can be studied and controlled. Experiments on single-molecule junctions show that a single molecule carries electrical currents that can even be in the microampere regime. Thereby, a number of transport phenomena have been observed, such as, for example, diode- or transistor-like behavior, negative differential resistance and conductance switching. An objective of this field, which is commonly referred to as molecular electronics, is to relate these transport phenomena to the properties of the molecule in the contact. To this end, theoretical model calculations are employed, which facilitate an understanding of the underlying transport processes and mechanisms. Thereby, one has to take into account that molecules are flexible structures, which respond to a change of their charge state by a profound reorganization of their geometrical structure or may even dissociate. It is thus important to understand the interrelation between the vibrational degrees of freedom of a singlemolecule junction and the electrical current flowing through the contact. In this thesis, we investigate vibrational effects in electron transport through singlemolecule junctions. For these studies, we calculate and analyze transport characteristics of both generic and first-principles based model systems of a molecular contact. To this end, we employ a master equation and a nonequilibrium Green's function approach. Both methods are suitable to describe this nonequilibrium transport problem and treat the interactions of the tunneling electrons on the molecular bridge non-perturbatively. This is particularly important with respect to the vibrational degrees of freedom, which may strongly interact with the tunneling electrons. We show in detail that the resulting

  11. Photogenerated Exciton Dissociation in Highly Coupled Lead Salt Nanocrystal Assemblies

    KAUST Repository

    Choi, Joshua J.

    2010-05-12

    Internanocrystal coupling induced excitons dissociation in lead salt nanocrystal assemblies is investigated. By combining transient photoluminescence spectroscopy, grazing incidence small-angle X-ray scattering, and time-resolved electric force microscopy, we show that excitons can dissociate, without the aid of an external bias or chemical potential gradient, via tunneling through a potential barrier when the coupling energy is comparable to the exciton binding energy. Our results have important implications for the design of nanocrystal-based optoelectronic devices. © 2010 American Chemical Society.

  12. Coupled electromechanical model of an imperfect piezoelectric vibrating cylinder gyroscope

    CSIR Research Space (South Africa)

    Loveday, PW

    1996-01-01

    Full Text Available Coupled electromechanical equations of motion, describing the dynamics of a vibrating cylinder gyroscope, are derived using Hamilton's principle and the Rayleigh-Ritz method. The vibrating cylinder gyroscope comprises a thin walled steel cylinder...

  13. the Analysis of Coupled Lateral Torsional Vibrations

    Directory of Open Access Journals (Sweden)

    Tomasz Szolc

    2000-01-01

    Full Text Available In the paper, dynamic investigations of the rotor shaft systems are performed by means of the discrete-continuous mechanical models. In these models the rotor shaft segments are represented by the rotating cylindrical flexurally and torsionally deformable continuous viscoelastic elements. These elements are mutually connected according to the structure of the real system in the form of a stepped shaft which is suspended on concentrated inertial viscoelastic supports of linear or non-linear characteristics. At appropriate shaft crosssections, by means of massless membranes, there are attached rigid rings representing rotors, disks, gears, flywheels and others. The proposed model enables us to investigate coupled linear or non-linear lateral torsional Vibrations of the rotating systems in steady-state and transient operating conditions. As demonstrative examples, for the steam turbo-compressor under coupled lateral torsional vibrations, the transient response due to a blade falling out from the turbine rotor as well as the steady-state response in the form of parametric resonance caused by residual unbalances are presented.

  14. Dissociative identity disorder and the process of couple therapy.

    Science.gov (United States)

    Macintosh, Heather B

    2013-01-01

    Couple therapy in the context of dissociative identity disorder (DID) has been neglected as an area of exploration and development in the couple therapy and trauma literature. What little discussion exists focuses primarily on couple therapy as an adjunct to individual therapy rather than as a primary treatment for couple distress and trauma. Couple therapy researchers have begun to develop adaptations to provide effective support to couples dealing with the impact of childhood trauma in their relationships, but little attention has been paid to the specific and complex needs of DID patients in couple therapy (H. B. MacIntosh & S. Johnson, 2008 ). This review and case presentation explores the case of "Lisa," a woman diagnosed with DID, and "Don," her partner, and illustrates the themes of learning to communicate, handling conflicting needs, responding to child alters, and addressing sexuality and education through their therapy process. It is the hope of the author that this discussion will renew interest in the field of couple therapy in the context of DID, with the eventual goal of developing an empirically testable model of treatment for couples.

  15. DSMC study of oxygen shockwaves based on high-fidelity vibrational relaxation and dissociation models

    Science.gov (United States)

    Borges Sebastião, Israel; Kulakhmetov, Marat; Alexeenko, Alina

    2017-01-01

    This work evaluates high-fidelity vibrational-translational (VT) energy relaxation and dissociation models for pure O2 normal shockwave simulations with the direct simulation Monte Carlo (DSMC) method. The O2-O collisions are described using ab initio state-specific relaxation and dissociation models. The Macheret-Fridman (MF) dissociation model is adapted to the DSMC framework by modifying the standard implementation of the total collision energy (TCE) model. The O2-O2 dissociation is modeled with this TCE+MF approach, which is calibrated with O2-O ab initio data and experimental equilibrium dissociation rates. The O2-O2 vibrational relaxation is modeled via the Larsen-Borgnakke model, calibrated to experimental VT rates. All the present results are compared to experimental data and previous calculations available in the literature. It is found that, in general, the ab initio dissociation model is better than the TCE model at matching the shock experiments. Therefore, when available, efficient ab initio models are preferred over phenomenological models. We also show that the proposed TCE + MF formulation can be used to improve the standard TCE model results when ab initio data are not available or limited.

  16. Communication: creation of molecular vibrational motions via the rotation-vibration coupling

    DEFF Research Database (Denmark)

    Shu, Chuan-Cun; Henriksen, Niels Engholm

    2015-01-01

    whereas a fast rotational excitation leads to a 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......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...

  17. Using vibrational Cooper minima to determine strong-field molecular-dissociation pathways

    Science.gov (United States)

    Severt, T.; Zohrabi, M.; Armstrong, G. S. J.; McKenna, J.; Gaire, B.; Kling, Nora G.; Ablikim, U.; Carnes, K. D.; Esry, B. D.; Ben-Itzhak, I.

    2015-05-01

    We explore the possibility of using vibrational ``Cooper minima'' (VCM) locations as a method to determine dissociation pathways of molecules in a strong laser field. As a test case, we study the laser-induced dissociation of an O2+ion beam by several wavelengths (λ = 800 , 400, and 266 nm) using a coincidence three-dimensional momentum imaging technique. Vibrational structure is observed in the kinetic energy release spectra, revealing a suppression of the dissociation of certain vibrational levels, which is a manifestation of the VCM effect. Previously, it has been shown in H2+that first-order time-dependent perturbation theory can be used to predict the locations of the VCM. We explore if the VCM locations predicted by perturbation theory can help uniquely identify dissociation pathways in O2+and consider its utility for other systems. Supported by the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy. TS was partially supported by NSF-REU under Grant No. PHY-0851599.

  18. Dissociative ionization of liquid water induced by vibrational overtone excitation

    Energy Technology Data Exchange (ETDEWEB)

    Natzle, W.C.

    1983-03-01

    Photochemistry of vibrationally activated ground electronic state liquid water to produce H/sup +/ and OH/sup -/ ions has been initiated by pulsed, single-photon excitation of overtone and combination transitions. Transient conductivity measurements were used to determine quantum yields as a function of photon energy, isotopic composition, and temperature. The equilibrium relaxation rate following perturbation by the vibrationally activated reaction was also measured as a function of temperature reaction and isotopic composition. In H/sub 2/O, the quantum yield at 283 +- 1 K varies from 2 x 10/sup -9/ to 4 x 10/sup -5/ for wave numbers between 7605 and 18140 cm/sup -1/. In D/sub 2/O, the dependence of quantum yield on wavelength has the same qualitative shape as for H/sub 2/O, but is shifted to lower quantum yields. The position of a minimum in the quantum yield versus hydrogen mole fraction curve is consistent with a lower quantum yield for excitation of HOD in D/sub 2/O than for excitation of D/sub 2/O. The ionic recombination distance of 5.8 +- 0.5 A is constant within experimental error with temperature in H/sub 2/O and with isotopic composition at 25 +- 1/sup 0/C.

  19. First-principles investigation of the dissociation and coupling of methane on small copper clusters: Interplay of collision dynamics and geometric and electronic effects.

    Science.gov (United States)

    Varghese, Jithin J; Mushrif, Samir H

    2015-05-14

    Small metal clusters exhibit unique size and morphology dependent catalytic activity. The search for alternate minimum energy pathways and catalysts to transform methane to more useful chemicals and carbon nanomaterials led us to investigate collision induced dissociation of methane on small Cu clusters. We report here for the first time, the free energy barriers for the collision induced activation, dissociation, and coupling of methane on small Cu clusters (Cun where n = 2-12) using ab initio molecular dynamics and metadynamics simulations. The collision induced activation of the stretching and bending vibrations of methane significantly reduces the free energy barrier for its dissociation. Increase in the cluster size reduces the barrier for dissociation of methane due to the corresponding increase in delocalisation of electron density within the cluster, as demonstrated using the electron localisation function topology analysis. This enables higher probability of favourable alignment of the C-H stretching vibration of methane towards regions of high electron density within the cluster and makes higher number of sites available for the chemisorption of CH3 and H upon dissociation. These characteristics contribute in lowering the barrier for dissociation of methane. Distortion and reorganisation of cluster geometry due to high temperature collision dynamics disturb electron delocalisation within them and increase the barrier for dissociation. Coupling reactions of CHx (x = 1-3) species and recombination of H with CHx have free energy barriers significantly lower than complete dehydrogenation of methane to carbon. Thus, competition favours the former reactions at high hydrogen saturation on the clusters.

  20. Analytical Evaluation of the Nonlinear Vibration of Coupled Oscillator Systems

    DEFF Research Database (Denmark)

    Bayat, M.; Shahidi, M.; Barari, Amin

    2011-01-01

    We consider periodic solutions for nonlinear free vibration of conservative, coupled mass-spring systems with linear and nonlinear stiffnesses. Two practical cases of these systems are explained and introduced. An analytical technique called energy balance method (EBM) was applied to calculate...... accuracy which is valid for a wide range of vibration amplitudes as indicated in the presented examples....

  1. Nonlinear thermoelectric properties of molecular junctions with vibrational coupling

    DEFF Research Database (Denmark)

    Leijnse, Martin Christian; Wegewijs, M. R.; Flensberg, Karsten

    2010-01-01

    We present a detailed study of the nonlinear thermoelectric properties of a molecular junction, represented by a dissipative Anderson-Holstein model. A single-orbital level with strong Coulomb interaction is coupled to a localized vibrational mode and we account for both electron and phonon...... conditions, which are found to be qualitatively changed by the presence of the vibrational mode. Based on this study of a generic model system, we discuss the desirable properties of molecular junctions for thermoelectric applications....

  2. Tensor-decomposed vibrational coupled-cluster theory

    DEFF Research Database (Denmark)

    Madsen, Niels Kristian; Godtliebsen, Ian Heide; Christiansen, Ove

    Vibrational coupled-cluster (VCC) theory is a highly accurate method for obtaining vibrational spectra and properties of small to medium-sized molecules. Calculating the vibrational energy and wave function requires the solution of a set of non-linear equations. We have implemented an array...... of any VCC calculation is the calculation of the error vector from a set of trial amplitudes. For high-order VCC methods this shows steep polynomial scaling w.r.t. the size of the moleule and the number of one-mode basis functions. Both the computational cost and the memory requirements of the VCC solver...

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

    Science.gov (United States)

    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.

  4. Modal analysis of multistage gear systems coupled with gearbox vibrations

    Science.gov (United States)

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

    1991-01-01

    An analytical procedure to simulate vibrations in gear transmission systems is presented. This procedure couples the dynamics of the rotor-bearing gear system with the vibration in the gear box structure. The model synthesis method is used in solving the overall dynamics of the system, and a variable time-stepping integration scheme is used in evaluating the global transient vibration of the system. Locally each gear stage is modeled as a multimass rotor-bearing system using a discrete model. The modal characteristics are calculated using the matrix-transfer technique. The gearbox structure is represented by a finite element models, and modal parameters are solved by using NASTRAN. The rotor-gear stages are coupled through nonlinear compliance in the gear mesh while the gearbox structure is coupled through the bearing supports of the rotor system. Transient and steady state vibrations of the coupled system are examined in both time and frequency domains. A typical three-geared system is used as an example for demonstration of the developed procedure.

  5. First-principles investigation of the dissociation and coupling of methane on small copper clusters: Interplay of collision dynamics and geometric and electronic effects

    Energy Technology Data Exchange (ETDEWEB)

    Varghese, Jithin J.; Mushrif, Samir H., E-mail: shmushrif@ntu.edu.sg [School of Chemical and Biomedical Engineering, Nanyang Technological University, 62 Nanyang Drive, 637459 (Singapore)

    2015-05-14

    Small metal clusters exhibit unique size and morphology dependent catalytic activity. The search for alternate minimum energy pathways and catalysts to transform methane to more useful chemicals and carbon nanomaterials led us to investigate collision induced dissociation of methane on small Cu clusters. We report here for the first time, the free energy barriers for the collision induced activation, dissociation, and coupling of methane on small Cu clusters (Cu{sub n} where n = 2–12) using ab initio molecular dynamics and metadynamics simulations. The collision induced activation of the stretching and bending vibrations of methane significantly reduces the free energy barrier for its dissociation. Increase in the cluster size reduces the barrier for dissociation of methane due to the corresponding increase in delocalisation of electron density within the cluster, as demonstrated using the electron localisation function topology analysis. This enables higher probability of favourable alignment of the C–H stretching vibration of methane towards regions of high electron density within the cluster and makes higher number of sites available for the chemisorption of CH{sub 3} and H upon dissociation. These characteristics contribute in lowering the barrier for dissociation of methane. Distortion and reorganisation of cluster geometry due to high temperature collision dynamics disturb electron delocalisation within them and increase the barrier for dissociation. Coupling reactions of CH{sub x} (x = 1–3) species and recombination of H with CH{sub x} have free energy barriers significantly lower than complete dehydrogenation of methane to carbon. Thus, competition favours the former reactions at high hydrogen saturation on the clusters.

  6. Microcanonical unimolecular rate theory at surfaces. II. Vibrational state resolved dissociative chemisorption of methane on Ni(100).

    Science.gov (United States)

    Abbott, H L; Bukoski, A; Harrison, I

    2004-08-22

    A three-parameter microcanonical theory of gas-surface reactivity is used to investigate the dissociative chemisorption of methane impinging on a Ni(100) surface. Assuming an apparent threshold energy for dissociative chemisorption of E(0)=65 kJ/mol, contributions to the dissociative sticking coefficient from individual methane vibrational states are calculated: (i) as a function of molecular translational energy to model nonequilibrium molecular beam experiments and (ii) as a function of temperature to model thermal equilibrium mbar pressure bulb experiments. Under fairly typical molecular beam conditions (e.g., E(t)>/=25 kJ mol(-1), T(s)>/=475 K, T(n)state dominates the overall sticking. In contrast, under thermal equilibrium conditions at temperatures T>/=100 K the dissociative sticking is dominated by methane in vibrationally excited states, particularly those involving excitation of the nu(4) bending mode. Fractional energy uptakes f(j) defined as the fraction of the mean energy of the reacting gas-surface collision complexes that derives from specific degrees of freedom of the reactants (i.e., molecular translation, rotation, vibration, and surface) are calculated for thermal dissociative chemisorption. At 500 K, the fractional energy uptakes are calculated to be f(t)=14%, f(r)=21%, f(v)=40%, and f(s)=25%. Over the temperature range from 500 K to 1500 K relevant to thermal catalysis, the incident gas-phase molecules supply the preponderance of energy used to surmount the barrier to dissociative chemisorption, f(g)=f(t)+f(r)+f(v) approximately 75%, with the highest energy uptake always coming from the molecular vibrational degrees of freedom. The predictions of the statistical, mode-nonspecific microcanonical theory are compared to those of other dynamical theories and to recent experimental data. (c) 2004 American Institute of Physics

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

    Science.gov (United States)

    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.

  8. Computation of expectation values from vibrational coupled-cluster at the two-mode coupling level

    DEFF Research Database (Denmark)

    Zoccante, Alberto; Seidler, Peter; Christiansen, Ove

    2011-01-01

    In this work we show how the vibrational coupled-cluster method at the two-mode coupling level can be used to calculate zero-point vibrational averages of properties. A technique is presented, where any expectation value can be calculated using a single set of Lagrangian multipliers computed...... solving iteratively a single linear set of equations. Sample calculations are presented which show that the resulting algorithm scales only with the third power of the number of modes, therefore making large systems accessible. Moreover, we present applications to water, pyrrole, and para-nitroaniline....

  9. Lifetimes and wave functions of ozone metastable vibrational states near the dissociation limit in full symmetry approach

    CERN Document Server

    Lapierre, David; Kochanov, Roman; Kokoouline, Viatcheslav; Tyuterev, Vladimir

    2016-01-01

    Energies and lifetimes (widths) of vibrational states above the lowest dissociation limit of $^{16}$O$_3$ were determined using a previously-developed efficient approach, which combines hyperspherical coordinates and a complex absorbing potential. The calculations are based on a recently-computed potential energy surface of ozone determined with a spectroscopic accuracy [J. Chem. Phys. {\\bf 139}, 134307 (2013)]. The effect of permutational symmetry on rovibrational dynamics and the density of resonance states in O$_3$ is discussed in detail. Correspondence between quantum numbers appropriate for short- and long-range parts of wave functions of the rovibrational continuum is established. It is shown, by symmetry arguments, that the allowed purely vibrational ($J=0$) levels of $^{16}$O$_3$ and $^{18}$O$_3$, both made of bosons with zero nuclear spin, cannot dissociate on the ground state potential energy surface. Energies and wave functions of bound states of the ozone isotopologue $^{16}$O$_3$ with rotational ...

  10. Dynamical Performances of a Vibration Absorber for Continuous Structure considering Time-Delay Coupling

    Directory of Open Access Journals (Sweden)

    Xiuting Sun

    2016-01-01

    Full Text Available The nonlinear effect incurred by time delay in vibration control is investigated in this study via a vibration absorber coupled with a continuous beam structure. The stability of the vibration absorber coupled structure system with time-delay coupling is firstly studied, which provides a general guideline for the potential time delay to be introduced to the system. Then it is shown that there is a specific region for the time delay which can bring bifurcation modes to the dynamic response of the coupling system, and the vibration energy at low frequencies can be transferred or absorbed due to the bifurcation mode and the vibration in the corresponding frequency range is thus suppressed. The nonlinear mechanism of this vibration suppression incurred by the coupling time delay is discussed in detail, which provides a novel and alternative approach to the analysis, design, and control of vibration absorbers in engineering practice.

  11. Free vibration analysis of coupled fluid-structure systems

    Science.gov (United States)

    Gupta, K. K.

    1982-01-01

    An efficient numerical technique for the eigenvalue solution in the free vibration analysis of compressible fluid-structure coupled systems is presented. The fluid is assumed to be compressible in nature and the incompressible problem is only a special case of the present generalized algorithm. A natural frequency analysis of the structure in the absence of any fluid is achieved by a combined Sturm sequence and inverse iteration technique that computes only the required eigenvalues and vectors. A special inverse iteration scheme is then developed for the coupled system that uses the computed eigenvalues as starting iteration values for convergence. Numerical results obtained by solving a number of standard test cases indicate the pattern of root convergence corresponding to various simplifying assumptions.

  12. Higher-order diagrammatic vibrational coupled-cluster theory.

    Science.gov (United States)

    Faucheaux, Jacob A; Hirata, So

    2015-10-07

    Diagrammatically size-consistent and basis-set-free vibrational coupled-cluster (XVCC) theory for both zero-point energies and transition frequencies of a molecule, the latter through the equation-of-motion (EOM) formalism, is defined for an nth-order Taylor-series potential energy surface (PES). Quantum-field-theoretical tools (the rules of normal-ordered second quantization and Feynman-Goldstone diagrams) for deriving their working equations are established. The equations of XVCC and EOM-XVCC including up to the mth-order excitation operators are derived and implemented with the aid of computer algebra in the range of 1 ≤ m ≤ 8. Algorithm optimizations known as strength reduction, intermediate reuse, and factorization are carried out before code generation, reducing the cost scaling of the mth-order XVCC and EOM-XVCC in an nth-order Taylor-series PES (m ≥ n) to the optimal value of O(N(m+⌊n/2⌋)), where N is the number of modes. The calculated zero-point energies and frequencies of fundamentals, overtones, and combinations as well as Fermi-resonant modes display rapid and nearly monotonic convergence with m towards the exact values for the PES. The theory with the same excitation rank as the truncation order of the Taylor-series PES (m = n) seems to strike the best cost-accuracy balance, achieving the accuracy of a few tenths of cm(-1) for transitions involving (m - 3) modes and of a few cm(-1) for those involving (m - 2) modes. The relationships between XVCC and the vibrational coupled-cluster theories of Prasad and coworkers and of Christiansen and coworkers as well as the size-extensive vibrational self-consistent-field and many-body perturbation theories are also elucidated.

  13. Vibrational and Electronic Energy Transfer and Dissociation of Diatomic Molecules by Electron Collisions

    Science.gov (United States)

    Huo, Winifred M.; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    At high altitudes and velocities equal to or greater than the geosynchronous return velocity (10 kilometers per second), the shock layer of a hypersonic flight will be in thermochemical nonequilibrium and partially ionized. The amount of ionization is determined by the velocity. For a trans atmospheric flight of 10 kilometers per second and at an altitude of 80 kilometers, a maximum of 1% ionization is expected. At a velocity of 12 - 17 kilometer per second, such as a Mars return mission, up to 30% of the atoms and molecules in the flow field will be ionized. Under those circumstances, electrons play an important role in determining the internal states of atoms and molecules in the flow field and hence the amount of radiative heat load and the distance it takes for the flow field to re-establish equilibrium. Electron collisions provide an effective means of transferring energy even when the electron number density is as low as 1%. Because the mass of an electron is 12,760 times smaller than the reduced mass of N2, its average speed, and hence its average collision frequency, is more than 100 times larger. Even in the slightly ionized regime with only 1% electrons, the frequency of electron-molecule collisions is equal to or larger than that of molecule-molecule collisions, an important consideration in the low density part of the atmosphere. Three electron-molecule collision processes relevant to hypersonic flows will be considered: (1) vibrational excitation/de-excitation of a diatomic molecule by electron impact, (2) electronic excitation/de-excitation, and (3) dissociative recombination in electron-diatomic ion collisions. A review of available data, both theory and experiment, will be given. Particular attention will be paid to tailoring the molecular physics to the condition of hypersonic flows. For example, the high rotational temperatures in a hypersonic flow field means that most experimental data carried out under room temperatures are not applicable. Also

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

    Science.gov (United States)

    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.

  15. Design of a Maglev Vibration Test Platform for the Research of Maglev Vehicle-girder Coupled Vibration Problem

    Directory of Open Access Journals (Sweden)

    Zhou Danfeng

    2017-01-01

    Full Text Available The maglev vehicle-girder coupled vibration problem has been encountered in many maglev test or commercial lines, which significantly degrade the performance of the maglev train. In previous research on the principle of the coupled vibration problem, it has been discovered that the fundamental model of the maglev girder can be simplified as a series of mass-spring resonators of different but related resonance frequencies, and that the stability of the vehicle-girder coupled system can be investigated by separately examining the stability of each mass-spring resonator – electromagnet coupled system. Based on this conclusion, a maglev test platform, which includes a single electromagnetic suspension control system, is built for experimental study of the coupled vibration problem. The guideway of the test platform is supported by a number of springs so as to change its flexibility. The mass of the guideway can also be changed by adjusting extra weights attached to it. By changing the flexibility and mass of the guideway, the rules of the maglev vehicle-girder coupled vibration problem are to be examined through experiments, and related theory on the vehicle-girder self-excited vibration proposed in previous research is also testified.

  16. Classical electricity analysis of the coupling mechanisms between admolecule vibrations and localized surface plasmons in STM for vibration detectability

    Science.gov (United States)

    Inaoka, Takeshi; Uehara, Yoich

    2017-08-01

    The presence of a dynamic dipole moment in the gap between the tip of a scanning tunneling microscope (STM) and a substrate, both of which are made of metal, produces a large dynamic dipole moment via the creation of localized surface plasmons (LSPLs). With regard to the vibration-induced structures that have been experimentally observed in STM light emission spectra, we have incorporated the effect of the phonon vibrations of an admolecule below the STM tip into the local response theory, and we have evaluated the enhancement of the dynamic dipole involving phonon vibrations. Our analysis shows how effectively this vibration becomes coupled with the LSPLs. This was shown using three mechanisms that considered the vibrations of a dipole-active molecule and the vibrations of a charged molecule emitting and receiving tunneling electrons. In each of the mechanisms, phonon vibrations with angular frequency ωp shifted each LSPL resonance by ℏωp or by a multiple of ℏωp . The phonon effect was negligibly small when the position of the dipole-active molecule vibrated with ωp, but it was largest and most detectable when the point charge corresponding to the admolecule at the surface of the tip vibrated with ωp. It was found that a series of LSPL resonances with or without phonon-energy shifts can be characterized by a few dominant orders of multipole excitations, and these orders become higher as the resonance energy increases.

  17. Active Control of Parametric Vibrations in Coupled Rotor-Blade Systems

    DEFF Research Database (Denmark)

    Christensen, Rene Hardam; Santos, Ilmar

    2003-01-01

    In rotor-blade systems basis as well as parametric vibration modes will appear due to the vibration coupling among flexible rotating blades and hub rigid body motion. Parametric vibration will typically occur when the hub operates at a constant angular velocity. Operating at constant velocity...... the model becomes periodic-variant. In order to reduce basis as well as parametric vibrations by means of active control in such systems a time-variant control strategy has to be adopted. This paper presents a methodology for designing an active controller to reduce vibrations in a coupled rotor......-blade system. The main aim is to control blade as well as hub vibrations in such a system by means of active control with focus on reducing the parametric vibration. A periodic state feedback controller is designed by transforming the system into a linear time-invariant form. Using this a controller...

  18. Dissociative electron attachment in nonplanar chlorocarbons with pi*/sigma*-coupled molecular orbitals.

    Science.gov (United States)

    Aflatooni, K; Gallup, G A; Burrow, P D

    2010-03-07

    Total absolute cross sections for the dissociative electron attachment (DEA) process are reported for a series of nonplanar ethylenic and phenylic compounds monosubstituted with (CH(2))(n)Cl groups, where n=1-4. Coupling between the local pi* molecular orbitals provided by the unsaturated moieties and the sigma* (C-Cl) orbital is thus examined as a function of the separation of these groups. In particular, the coupling is viewed from the perspective of the interacting temporary negative ions formed by short lived occupation of these orbitals and their decay into the DEA channel. A theoretical treatment of "remote" bond breaking, presented elsewhere, satisfactorily accounts for DEA in the chloroethylenic compounds presented here and emphasizes not only the delocalization of the coupled anionic wave functions but the importance of their relative phases. The dependence of the cross sections on the vertical attachment energies, measured by electron transmission spectroscopy, is also explored and compared to that found previously in chlorinated alkanes.

  19. Role of vibrationally excited HBr in a HBr/He inductively coupled plasma used for etching of silicon

    Science.gov (United States)

    Tinck, Stefan; Bogaerts, Annemie

    2016-06-01

    In this work, the role of vibrationally excited HBr (HBr(vib)) is computationally investigated for a HBr/He inductively coupled plasma applied for Si etching. It is found that at least 50% of all dissociations of HBr occur through HBr(vib). This additional dissociation pathway through HBr(vib) makes the plasma significantly more atomic. It also results in a slightly higher electron temperature (i.e. about 0.2 eV higher compared to simulation results where HBr(vib) is not included), as well as a higher gas temperature (i.e. about 50 K higher than without including HBr(vib)), due to the enhanced Franck-Condon heating through HBr(vib) dissociation, at the conditions investigated. Most importantly, the calculated etch rate with HBr(vib) included in the model is a factor 3 higher than in the case without HBr(vib), due to the higher fluxes of etching species (i.e. H and Br), while the chemical composition of the wafer surface shows no significant difference. Our calculations clearly show the importance of including HBr(vib) for accurate modeling of HBr-containing plasmas.

  20. Vibrational absorption spectra from vibrational coupled cluster damped linear response functions calculated using an asymmetric Lanczos algorithm

    DEFF Research Database (Denmark)

    Thomsen, Bo; Hansen, Mikkel Bo; Seidler, Peter

    2012-01-01

    We report the theory and implementation of vibrational coupled cluster (VCC) damped response functions. From the imaginary part of the damped VCC response function the absorption as function of frequency can be obtained, requiring formally the solution of the now complex VCC response equations. T...

  1. Structure, Vibrational Spectra, and Unimolecular Dissociation of Gaseous 1-Fluoro-1-phenethyl Cations

    NARCIS (Netherlands)

    Oomens, J.; Kraka, E.; Nguyen, M. K.; Morton, T. H.

    2008-01-01

    The multiple CF bond character of PhCFMe+ ions has been examined by means of theory, vibrational spectroscopy of the gaseous ions, and unimolecular decomposition chemistry. Atoms in Molecules analysis of DFF wave functions gives a CF bond order of n = 1.25 (as compared with n = 1.38 for Me2CF+,

  2. Piezoelectric Tailoring with Enhanced Electromechanical Coupling for Concurrent Vibration Control of Mistuned Periodic Structures

    National Research Council Canada - National Science Library

    Wang, Kon-Well

    2006-01-01

    The objective of this research is to advance the state of the art of vibration control of mistuned periodic structures utilizing the electromechanical coupling and damping characteristics of piezoelectric networking...

  3. Experimental measurements and finite element analysis of the coupled vibrational characteristics of piezoelectric shells.

    Science.gov (United States)

    Huang, Yu-Hsi; Ma, Chien-Ching

    2012-04-01

    Piezoelectric plates can provide low-frequency transverse vibrational displacements and high-frequency planar vibrational displacements, which are usually uncoupled. However, piezoelectric shells can induce three-dimensional coupled vibrational displacements over a large frequency range. In this study, three-dimensional coupled vibrational characteristics of piezoelectric shells with free boundary conditions are investigated using three different experimental methods and finite element numerical modeling. For the experimental measurements, amplitude-fluctuation electronic speckle pattern interferometry (AF-ESPI) is used to obtain resonant frequencies and radial, lateral, and angular mode shapes. This optical technique utilizes a real-time, full-field, non-contact optical system that measures both the natural frequency and corresponding vibration mode shape simultaneously. The second experimental technique used, laser Doppler vibrometry (LDV), is a pointwise displacement measurement method that determines the resonant frequencies of the piezoelectric shell. An impedance analyzer is also used to determine the resonant frequencies of the piezoelectric shell. The experimental results of the resonant frequencies and mode shapes for the piezoelectric shell are verified with a numerical finite element model. Excellent agreement between the experimental and numerical results is found for the three-dimensional coupled vibrational characteristics of the piezoelectric shell. It is noted in this study that there is no coupled phenomenon at low frequencies over which radial modes dominate. However, three-dimensional coupled vibrational modes do occur at high resonant frequencies over which lateral or angular modes dominate.

  4. Modelling of Mechanical Coupling for Piezoelectric Energy Harvester Adapted to Low-Frequency Vibration

    Science.gov (United States)

    Untoro, T.; Viridi, S.; Suprijanto; Ekawati, E.

    2017-07-01

    In our previous work, we have developed a mechanical coupling for energy harvester from vibration source. This energy harvester uses piezoelectric with additional cantilever beam and permanent magnets. Our work proposed alternative scheme of mechanical coupling for tune the vibration input into resonant frequency of piezoelectric. Based on the experiment, correlation between the length of cantilever beam and the output power also evaluated. In this paper, we try to modelling our work into mathematical model and apply it to some case study. For example application, we apply our energy harvester system to generate electrical energy to enlighten the street. The human footsteps can be used as vibration source to generate electrical energy.

  5. On the accuracy of the noninteracting electron approximation for vibrationally coupled electron transport

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Haobin, E-mail: haobin.wang@ucdenver.edu [Department of Chemistry, University of Colorado Denver, Denver, CO 80217-3364 (United States); Thoss, Michael [Institut für Theoretische Physik und Interdisziplinäres Zentrum für Molekulare Materialien, Friedrich-Alexander-Universität Erlangen-Nürnberg, Staudtstr. 7/B2, D-91058 (Germany)

    2016-12-20

    The accuracy of the noninteracting electron approximation is examined for a model of vibrationally coupled electron transport in single molecule junction. In the absence of electronic-vibrational coupling, steady state transport in this model is described exactly by Landauer theory. Including coupling, both electronic-vibrational and vibrationally induced electron–electron correlation effects may contribute to the real time quantum dynamics. Using the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) theory to describe nuclear dynamics exactly while maintaining the noninteracting electron approximation for the electronic dynamics, the correlation effects are analyzed in different physical regimes. It is shown that although the noninteracting electron approximation may be reasonable for describing short time dynamics, it does not give the correct long time limit for certain initial conditions.

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

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

    2017-12-08

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

  9. SOPPA and CCSD vibrational corrections to NMR indirect spin-spin coupling constants of small hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Faber, Rasmus; Sauer, Stephan P. A. [Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø (Denmark)

    2015-12-31

    We present zero-point vibrational corrections to the indirect nuclear spin-spin coupling constants in ethyne, ethene, cyclopropene and allene. The calculations have been carried out both at the level of the second order polarization propagator approximation (SOPPA) employing a new implementation in the DALTON program, at the density functional theory level with the B3LYP functional employing also the Dalton program and at the level of coupled cluster singles and doubles (CCSD) theory employing the implementation in the CFOUR program. Specialized coupling constant basis sets, aug-cc-pVTZ-J, have been employed in the calculations. We find that on average the SOPPA results for both the equilibrium geometry values and the zero-point vibrational corrections are in better agreement with the CCSD results than the corresponding B3LYP results. Furthermore we observed that the vibrational corrections are in the order of 5 Hz for the one-bond carbon-hydrogen couplings and about 1 Hz or smaller for the other couplings apart from the one-bond carbon-carbon coupling (11 Hz) and the two-bond carbon-hydrogen coupling (4 Hz) in ethyne. However, not for all couplings lead the inclusion of zero-point vibrational corrections to better agreement with experiment.

  10. Optimal ossicular site for maximal vibration transmissions to coupled transducers.

    Science.gov (United States)

    Chung, Juyong; Song, Won Joon; Sim, Jae Hoon; Kim, Wandoo; Oh, Seung-Ha

    2013-07-01

    Totally implantable middle-ear prosthetic devices, such as the Esteem system (Envoy Medical Corporation), detect vibrational motion of the middle-ear ossicles rather than acoustic stimulation to the eardrum. This eliminates the need for a subcutaneous microphone, which is susceptible to interference by ambient noises. Study of the vibrational characteristics of the human ossicles provides valuable information for determining the site of maximum ossicular motion that would be optimal for attachment of the sensor portion of the prosthesis. In this study, vibrational responses at seven locations on the middle-ear ossicles (i.e., the malleus head, 4 different points on the incus body, middle of the incus long process, tip of the incus long process) in human temporal bones (n = 6) were measured using a laser Doppler vibrometer. The measurements were repeated after separating the incudostapedial joint (ISJ). Measured displacement at each location was normalized with the sound pressure level near the tympanic membrane (TM) for representation in the form of a displacement transfer function (DTF). The normalized squared sum of the DTFs (NSSDTF) was then calculated as a measure of vibration motion through a specific frequency range at the considered sites. The relatively large NSSDTF was observed at the sites on the superior part of the malleus head (MH), on the lateral part of the incus body (IBL), and on the superior part of the incus body near the incudomalleal joint (IBS1) for the frequency ranges of 1-4 kHz and 1-9 kHz, regardless of the condition of the ISJ. This indicates that maximum vibrational motion of the middle-ear is deliverable to the piezoelectric transducer of totally implantable devices through these sites. This article is part of a special issue entitled "MEMRO 2012". Copyright © 2013 Elsevier B.V. All rights reserved.

  11. Coupling between flexural modes in free vibration of single-walled carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Rumeng; Wang, Lifeng, E-mail: walfe@nuaa.edu.cn [State Key Laboratory of Mechanics and Control of Mechanical Structures, Nanjing University of Aeronautics and Astronautics, 210016 Nanjing (China)

    2015-12-15

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

  12. Coupling between flexural modes in free vibration of single-walled carbon nanotubes

    Directory of Open Access Journals (Sweden)

    Rumeng Liu

    2015-12-01

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

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

    Science.gov (United States)

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

    1982-01-01

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

  14. Acoustic vibration modes and electron-lattice coupling in self-assembled silver nanocolumns.

    Science.gov (United States)

    Burgin, J; Langot, P; Arbouet, A; Margueritat, J; Gonzalo, J; Afonso, C N; Vallée, F; Mlayah, A; Rossell, M D; Van Tendeloo, G

    2008-05-01

    Using ultrafast spectroscopy, we investigated electron-lattice coupling and acoustic vibrations in self-assembled silver nanocolumns embedded in an amorphous Al2O3 matrix. The measured electron-lattice energy exchange time is smaller in the nanocolumns than in bulk silver, with a value very close to that of isolated nanospheres with comparable surface to volume ratio. Two vibration modes were detected and ascribed to the breathing and extensional mode of the nanocolumns, in agreement with numerical simulations.

  15. Vibrationally mediated control of single-electron transmission in weakly coupled molecule-metal junctions

    DEFF Research Database (Denmark)

    Olsen, Thomas; Schiøtz, Jakob

    2010-01-01

    We propose a mechanism which allows one to control the transmission of single electrons through a molecular junction. The principle utilizes the emergence of transmission sidebands when molecular vibrational modes are coupled to the electronic state mediating the transmission. We will show that i....... As an example we perform a density-functional theory analysis of a benzene molecule between two Au(111) contacts and show that exciting a particular vibrational mode can give rise to transmission of a single electron....

  16. Nonequilibrium electron-vibration coupling and conductance fluctuations in a C-60 junction

    DEFF Research Database (Denmark)

    Ulstrup, Soren; Frederiksen, Thomas; Brandbyge, Mads

    2012-01-01

    displacement. Combined with a vibrational heating mechanism we construct a model from our results that explain the polarity-dependent two-level conductance fluctuations observed in recent scanning tunneling microscopy (STM) experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings highlight...... the significance of nonequilibrium effects in chemical bond formation/breaking and in electron-vibration coupling in molecular electronics....

  17. Agglomeration of powders with a new-coupled vibration-compaction device

    Science.gov (United States)

    Serris, Eric; Desplat, Olivier; Valfort, Olivier; Grosseau, Phillipe

    2017-06-01

    Inorganic powder recycling should be a crucial process for the "smart factories" in the future. A complex three-phase system (bauxite mixed with ordinary Portland cement and water) with a new-coupled vibration-compaction device is studied. The compressive stress of compacts seems to be improved by using this device at low compaction pressure leaving the other characteristics unchanged. The tomographic study of macroscopic porosities shows differences in the pores repartitions inside vibrated and untreated compacts. Classic porosity repartition is shown in the classic compacted bauxite compacts whereas in the vibrated-compacted bauxite exhibits inhomogeneities. Despite this, we find these results quite promising for further investigations.

  18. Coupled bending and torsional vibration of a rotor system with nonlinear friction

    Energy Technology Data Exchange (ETDEWEB)

    Hua, Chunli; Cao, Guohua; Zhu, Zhencai [China University of Mining and Technology, Xuzhou (China); Rao, Zhushi; Ta, Na [Shanghai Jiao Tong University, Shanghai (China)

    2017-06-15

    Unacceptable vibrations induced by the nonlinear friction in a rotor system seriously affect the health and reliability of the rotating ma- chinery. To find out the basic excitation mechanism and characteristics of the vibrations, a coupled bending and torsional nonlinear dynamic model of rotor system with nonlinear friction is presented. The dynamic friction characteristic is described with a Stribeck curve, which generates nonlinear friction related to relative velocity. The motion equations of unbalance rotor system are established by the Lagrangian approach. Through numerical calculation, the coupled vibration characteristics of a rotor system under nonlinear friction are well investigated. The influence of main system parameters on the behaviors of the system is discussed. The bifurcation diagrams, waterfall plots, the times series, orbit trails, phase plane portraits and Poincaré maps are obtained to analyze dynamic characteristics of the rotor system and the results reveal multiform complex nonlinear dynamic responses of rotor system under rubbing. These analysis results of the present paper can effectively provide a theoretical reference for structural design of rotor systems and be used to diagnose self- excited vibration faults in this kind of rotor systems. The present research could contribute to further understanding on the self-excited vibration and the bending and torsional coupling vibration of the rotor systems with Stribeck friction model.

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

    Science.gov (United States)

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

    2018-01-14

    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.

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

    Science.gov (United States)

    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.

  1. SOPPA and CCSD vibrational corrections to NMR indirect spin-spin coupling constants of small hydrocarbons

    DEFF Research Database (Denmark)

    Faber, Rasmus; Sauer, Stephan P. A.

    2015-01-01

    We present zero-point vibrational corrections to the indirect nuclear spin-spin coupling constants in ethyne, ethene, cyclopropene and allene. The calculations have been carried out both at the level of the second order polarization propagator approximation (SOPPA) employing a new implementation...... in the DALTON program, at the density functional theory level with the B3LYP functional employing also the Dalton program and at the level of coupled cluster singles and doubles (CCSD) theory employing the implementation in the CFOUR program. Specialized coupling constant basis sets, aug-cc-pVTZ-J, have been...... employed in the calculations. We find that on average the SOPPA results for both the equilibrium geometry values and the zero-point vibrational corrections are in better agreement with the CCSD results than the corresponding B3LYP results. Furthermore we observed that the vibrational corrections...

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

    Science.gov (United States)

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

    2017-05-01

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

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

    Science.gov (United States)

    Kim, Eunyeong; Fard, Mohammad; Kato, Kazuhito

    2017-08-01

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

  4. Role of zero-point vibrational corrections to carbon hyperfine coupling constants in organic π radicals.

    Science.gov (United States)

    Chen, X; Rinkevicius, Z; Ruud, K; Ågren, H

    2013-02-07

    By analyzing a set of organic π radicals, we demonstrate that zero-point vibrational corrections give significant contributions to carbon hyperfine coupling constants, in one case even inducing a sign reversal for the coupling constant. We discuss the implications of these findings for the computational analysis of electron paramagnetic spectra based on hyperfine coupling constants evaluated at the equilibrium geometry of radicals. In particular, we note that a dynamical description that involves the nuclear motion is in many cases necessary in order to achieve a semi-quantitatively predictive theory for carbon hyperfine coupling constants. In addition, we discuss the implications of the strong dependence of the carbon hyperfine coupling constants on the zero-point vibrational corrections for the selection of exchange-correlation functionals in density functional theory studies of these constants.

  5. Vibrational and cascade dissociation of H{sub 2}{sup +} ions by collision with gas molecules; Dissociation vibrationnelle et dissociation en cascade d'ions H{sub 2}{sup +} par collisions avec les molecules d'un gaz

    Energy Technology Data Exchange (ETDEWEB)

    Verveer, P. [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

    1966-07-01

    Protons produced by collisional dissociation of H{sub 2}{sup +} ions have an energy spectrum with a narrow central peak. For a part the protons in this peak are produced by vibrational dissociation and for another part by a cascade of two collisions. For H{sub 2}{sup +} ions of 50 to 150 keV the cross section for vibrational dissociation is about 4.1 10{sup -19} cm{sup 2}/molecule in hydrogen and 1.1 10{sup -18} cm{sup 2}/molecule in argon. (author) [French] Les protons resultant de la dissociation par collisions d'ions H{sub 2}{sup +} dans un gaz ont un spectre d'energie qui presente un pic central tres etroit. Les protons dans ce pic proviennent, pour une part de la dissociation vibrationnelle et pour l'autre part d'une suite de deux collisions. Dans le domaine d'energie des ions H{sub 2}{sup +} de 50 a 150 keV la section efficace de dissociation vibrationnel vaut 4.1 10{sup -19} cm{sup 2}/molecule pour l'hydrogene et 1,1 10{sup -18} cm{sup 2}/molecule pour l'argon.

  6. Synchronization of three homodromy coupled exciters in a non-resonant vibrating system of plane motion

    Science.gov (United States)

    Zhang, Xue-Liang; Wen, Bang-Chun; Zhao, Chun-Yu

    2012-10-01

    In this paper, the synchronization problem of three homodromy coupled exciters in a non-resonant vibrating system of plane motion is studied. By introducing the average method of modified small parameters, we deduced dimensionless coupling equation of three exciters, which converted the problem of synchronization into that of the existence and stability of zero solutions for the average differential equations of the small parameters. Based on the dimensionless coupling torques and characteristics of the corresponding limited functions, the synchronization criterion for three exciters was derived as the absolute value of dimensionless residual torque difference between arbitrary two motors being less than the maximum of their dimensionless coupling torques. The stability criterion of its synchronous state lies in the double-condition that the inertia coupling matrix is positive definite and all its elements are positive as well. The synchronization determinants are the coefficients of synchronization ability, also called as the general dynamical symmetry coefficients. The double-equilibrium state of the vibrating system is manifested by numeric method, and the numeric and simulation results derived thereof indicate the indispensable and crucial role the structural parameters of the vibrating system play in the stability criterion of synchronous operation. Besides, by adjusting its structural parameters, the elliptical motion of the vibrating system successfully met the requirements in engineering applications.

  7. CO adsorption, dissociation and coupling formation mechanisms on Fe2C(001) surface

    Science.gov (United States)

    Yu, Xiaohu; Zhang, Xuemei; Meng, Yan; Zhao, Yaoping; Li, Yuan; Xu, Wei; Liu, Zhong

    2018-03-01

    By means of density functional theory calculations and atomic thermodynamics, we systematically investigated the CO adsorption on the Fe2C(001) surface at different coverage. It has been found that CO prefers to adsorb on the surface iron atom at low coverage (1-8 CO); CO prefers to adsorb at the bridge site of Fe and C atoms at high coverage (9-12 CO). Eight CO molecules binding on the Fe2C(001) surface is favorable thermodynamically as indicated by the stepwise adsorption energy. The phase diagram shows that addition of more CO molecules up to a number of 8 is thermodynamically favorable, and that the incremental energy gained by adding one more CO molecule is almost constant up to 4 CO molecules, decreases up to 8 CO molecules, after which it becomes thermodynamically unfavorable to add more CO molecules. Probability distribution of different singe-CO adsorbed states on the Fe2C(001) surface as function of temperature shows that CO dissociation and coupling are least preferred, indicating that carbide mechanism is not dominant in the iron-based Fischer-Tropsch synthesis reaction. The projected density of states (PDOS) was used to analyze the CO adsorption mechanism.

  8. The role of proton mobility in determining the energy-resolved vibrational activation/dissociation channels of N-glycopeptide ions

    Energy Technology Data Exchange (ETDEWEB)

    Kolli, Venkata; Roth, Heidi A. [Department of Chemistry, University of Nebraska – Lincoln, Lincoln, NE, 68588-0304 (United States); De La Cruz, Gabriela; Fernando, Ganga S. [Department of Chemistry, University of Nebraska – Lincoln, Lincoln, NE, 68588-0304 (United States); Department of Chemistry, Cottey College, Nevada, MO, 64772 (United States); Dodds, Eric D., E-mail: edodds2@unl.edu [Department of Chemistry, University of Nebraska – Lincoln, Lincoln, NE, 68588-0304 (United States)

    2015-10-08

    Site-specific glycoproteomic analysis largely hinges on the use of tandem mass spectrometry (MS/MS) to identify glycopeptides. Experiments of this type are usually aimed at drawing connections between individual oligosaccharide structures and their specific sites of attachment to the polypeptide chain. These determinations inherently require ion dissociation methods capable of interrogating both the monosaccharide and amino acid connectivity of the glycopeptide. Collision-induced dissociation (CID) shows potential to satisfy this requirement, as the vibrational activation/dissociation of protonated N-glycopeptides has been observed to access cleavage of either glycosidic bonds of the glycan or amide bonds of the peptide in an energy-resolved manner. Nevertheless, the relative energy requirement for these fragmentation pathways varies considerably among analytes. This research addresses the influence of proton mobility on the vibrational energy necessary to achieve either glycan or peptide cleavage in a collection of protonated N-glycopeptide ions. While greater proton mobility of the precursor ion was found to correlate with lower energy requirements for precursor ion depletion and appearance of glycosidic fragments, the vibrational energy deposition necessary for appearance of peptide backbone fragments showed no relation to the precursor ion proton mobility. These results are consistent with observations suggesting that peptide fragments arise from an intermediate fragment which is generally of lower proton mobility than the precursor ion. Such findings have potential to facilitate the rational selection of CID conditions which are best suited to provide either glycan or peptide cleavage products in MS/MS based N-glycoproteomic analysis. - Highlights: • Collision-induced dissociation covers both glycan and peptide connectivity. • Precursor proton mobility predicts collision energy needed for glycan fragmentation. • Collision energy needed for peptide

  9. Large-voltage behavior of charge transport characteristics in nanosystems with weak electron–vibration coupling

    Directory of Open Access Journals (Sweden)

    Tomáš Novotný

    2015-09-01

    Full Text Available We study analytically the Full Counting Statistics of the charge transport through a nanosystem consisting of a few electronic levels weakly coupled to a discrete vibrational mode. In the limit of large transport voltage bias the cumulant generating function can be evaluated explicitly based solely on the intuitive physical arguments and classical master equation description of the vibration mode. We find that for the undamped vibrational modes mutual dynamical interplay between electronic and vibronic degrees of freedom leads to strongly nonlinear (in voltage transport characteristics of the nanosystem. In particular, we find that for large voltages the k-th cumulant of the current grows as V2k to be contrasted with the linear dependence in case of more strongly externally damped and thus thermalized vibrational modes.

  10. Self-excited vibration of the shell-liquid coupled system induced by dry friction

    Science.gov (United States)

    Xijun, Liu; Dajun, Wang; Yushu, Chen

    1995-11-01

    The nonlinear vibration theory and the experimental modal analysis are used in this paper to study the self-excited vibration of the shell-liquid coupled system induced by dry friction. The effect of dry friction stick-slip coefficients and rubbing velocity on self-excited vibration, and the limit cycle and Hopf bifurcation solution of the system are obtained. In particular, it is shown that the phenomenon of 4 point (or 6 point) water droplet spurting of the Chinese cultural relic Dragon Washbasin is the result of the perfect combination of the self-excited vibration induced by dry friction and its special modes, which indicates the significant scientific value of the Chinese cultural relic Dragon Washbasin.

  11. Dissociative electron attachment to vibrationally excited H{sub 2} molecules involving the {sup 2}{Sigma}{sub g}{sup +} resonant Rydberg electronic state

    Energy Technology Data Exchange (ETDEWEB)

    Celiberto, R., E-mail: r.celiberto@poliba.it [Department of Water Engineering and Chemistry, Polytechnic of Bari, 70125 Bari (Italy); Institute of Inorganic Methodologies and Plasmas, CNR, 70125 Bari (Italy); Janev, R.K., E-mail: r.janev@fz-juelich.de [Macedonian Academy of Sciences and Arts, P.O.B 428, 1000 Skopje (Macedonia, The Former Yugoslav Republic of); Institute of Energy and Climate Research - Plasma Physics, Forschungszentrum Juelich GmbH Association EURATOM-FZJ, Partner in Trilateral Euregio Cluster, 52425 Juelich (Germany); Wadehra, J.M., E-mail: wadehra@wayne.edu [Physics Department, Wayne State University, Detroit, MI 48202 (United States); Tennyson, J., E-mail: j.tennyson@ucl.ac.uk [Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom)

    2012-04-04

    Graphical abstract: Dissociative electron attachment cross sections as a function of the incident electron energy and for the initial vibration levels v{sub i} = 0-5, 10 of the H{sub 2} molecule. Highlights: Black-Right-Pointing-Pointer We calculated electron-hydrogen dissociative attachment cross sections and rates coefficients. Black-Right-Pointing-Pointer Collision processes occurring through a resonant Rydberg state are considered. Black-Right-Pointing-Pointer Cross sections and rates were obtained for vibrationally excited hydrogen molecules. Black-Right-Pointing-Pointer The cross sections exhibit pronounced oscillatory structures. Black-Right-Pointing-Pointer A comparison with the process involving the electron-hydrogen resonant ground state is discussed. - Abstract: Dissociative electron attachment cross sections (DEA) on vibrationally excited H{sub 2} molecule taking place via the {sup 2}{Sigma}{sub g}{sup +} Rydberg-excited resonant state are studied using the local complex potential (LCP) model for resonant collisions. The cross sections are calculated for all initial vibrational levels (v{sub i} = 0-14) of the neutral molecule. In contrast to the previously noted dramatic increase in the DEA cross sections with increasing v{sub i}, when the process proceeds via the X {sup 2}{Sigma}{sub u}{sup +} shape resonance of H{sub 2}, for the {sup 2}{Sigma}{sub g}{sup +} Rydberg resonance the cross sections increase only gradually up to v{sub i} = 3 and then decrease. Moreover, the cross sections for v{sub i} Greater-Than-Or-Slanted-Equal-To 6 exhibit pronounced oscillatory structures. A discussion of the origin of the observed behavior of calculated cross sections is given. The DEA rate coefficients for all v{sub i} levels are also calculated in the 0.5-1000 eV temperature range.

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

    Energy Technology Data Exchange (ETDEWEB)

    Albert, Julian; Falge, Mirjam; Hildenbrand, Heiko; Engel, Volker [Universität Würzburg, Institut für Physikalische und Theoretische Chemie, Emil-Fischer-Str. 42, Campus Nord, Am Hubland, 97074 Würzburg (Germany); Gomez, Sandra; Sola, Ignacio R. [Departamento de Quimica Fisica, Universidad Complutense, 28040 Madrid (Spain)

    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.

  13. Both Inter- and Intramolecular Coupling of O-H Groups Determine the Vibrational Response of the Water/Air Interface

    CERN Document Server

    Schaefer, Jan; Nagata, Yuki; Bonn, Mischa

    2016-01-01

    Vibrational coupling is relevant not only for dissipation of excess energy after chemical reactions but also for elucidating molecular structure and dynamics. It is particularly important for OH stretch vibrational spectra of water, for which it is known that in bulk both intra- and intermolecular coupling alter the intensity and line shape of the spectra. In contrast with bulk, the unified picture of the inter/intra-molecular coupling of OH groups at the water-air interface has been lacking. Here, combining sum-frequency generation experiments and simulation for isotopically diluted water and alcohols, we unveil effects of inter- and intramolecular coupling on the vibrational spectra of interfacial water. Our results show that both inter- and intramolecular coupling contribute to the OH stretch vibrational response of the neat H2O surface, with intramolecular coupling generating a double-peak feature, while the intermolecular coupling induces a significant red shift in the OH stretch response.

  14. Vibration analysis of multi-span beam system under arbitrary boundary and coupling conditions

    Directory of Open Access Journals (Sweden)

    ZHENG Chaofan

    2017-08-01

    Full Text Available In order to overcome the difficulties of studying the vibration analysis model of a multi-span beam system under various boundary and coupling conditions, this paper constructs a free vibration analysis model of a multi-span beam system on the basis of the Bernoulli-Euler beam theory. The vibration characteristics of a multi-span beam system under arbitrary boundary supports and elastic coupling conditions are investigated using the current analysis model. Unlike most existing techniques, the beam displacement function is generally sought as an improved Fourier cosine series, and four sine terms are introduced to overcome all the relevant discontinuities or jumps of elastic boundary conditions. On this basis, the unknown series coefficients of the displacement function are treated as the generalized coordinates and solved using the Rayleigh-Ritz method, and the vibration problem of multi-span bean systems is converted into a standard eigenvalue problem concerning the unknown displacement expansion coefficient. By comparing the free vibration characteristics of the proposed method with those of the FEA method, the efficiency and accuracy of the present method are validated, providing a reliable and theoretical basis for multi-span beam system structure in engineering applications.

  15. Optimization of Vibration Reduction Ability of Ladder Tracks by FEM Coupled with ACO

    Directory of Open Access Journals (Sweden)

    Hao Jin

    2015-01-01

    Full Text Available Ladder track, which has drawn increased attention in scientific communities, is an effective method for reducing vibrations from underground railways. In order to optimize the vibration reduction ability of ladder track, a new method, that is, the finite element method (FEM coupled with ant colony optimization (ACO, has been proposed in this paper. We describe how to build the FEM model verified by the vibration tests in the Track Vibration Abatement and Control Laboratory and how to couple the FEM with ACO. The density and elasticity modulus of the sleeper pad are optimized using this method. After optimization, the vibration acceleration level of the supporting platform in the 1–200 Hz range was reduced from 102.8 dB to 94.4 dB. The optimized density of the sleeper pad is 620 kg/m3, and the optimized elasticity modulus of the sleeper pad is 6.25 × 106 N/m2.

  16. Vibrational kinetics in Cl2 and O2 low-pressure inductively-coupled plasmas

    Science.gov (United States)

    Booth, Jean-Paul; Foucher, Mickael; Marinov, Daniil; Chabert, Pascal; Annusova, Anna; Guerra, Vasco; Agarwal, Ankur; Rauf, Shahid

    2015-09-01

    Low energy electron interactions with molecules via resonances can cause vibrational excitation (affecting chemical kinetics), electron energy loss and modification of the EEDF. However, with the exception of N2 and H2 plasmas, very little attention has been paid to this subject. We have implemented a novel high-sensitivity ultra-broadband UV absorption bench, allowing spectra to be recorded with noise as low as 2×10-5 over a 250 nm wavelength range, and recording of complete vibronic bands. We applied this to radiofrequency inductively-coupled plasmas in low pressure (5-50 mTorr) pure O2 and pure Cl2. In O2 plasmas we surprisingly observe highly vibrationally excited O2 (v'' up to 18) via B-X Schumann-Runge bands. Cl2 molecules show a broad UV absorption spectrum in the region 250-400 nm, with distinctly different absorption spectra for vibrationally excited molecules. However, only a small fraction of the Cl2 molecules were observed in vibrationally excited states and the vibrational temperature is close to equilibrium with the local gas translational temperature (up to 1000 K), in contrast to O2. We are currently working on global models with vibrational kinetics to explain these results. Work supported by LABEX Plas@par (ANR-11-IDEX-0004-02), and Applied Materials.

  17. Mode coupling and multiquantum vibrational excitations in Feshbach-resonant positron annihilation in molecules

    Science.gov (United States)

    Gribakin, G. F.; Stanton, J. F.; Danielson, J. R.; Natisin, M. R.; Surko, C. M.

    2017-12-01

    The dominant mechanism of low-energy positron annihilation in polyatomic molecules is through positron capture in vibrational Feshbach resonances (VFR). In this paper, we investigate theoretically the effect of anharmonic terms in the vibrational Hamiltonian on positron annihilation rates. Such interactions enable positron capture in VFRs associated with multiquantum vibrational excitations, leading to enhanced annihilation. Mode coupling can also lead to faster depopulation of VFRs, thereby reducing their contribution to the annihilation rates. To analyze this complex picture, we use coupled-cluster methods to calculate the anharmonic vibrational spectra and dipole transition amplitudes for chloroform, chloroform-d1, 1,1-dichloroethylene, and methanol, and use these data to compute positron resonant annihilation rates for these molecules. Theoretical predictions are compared with the annihilation rates measured as a function of incident positron energy. The results demonstrate the importance of mode coupling in both enhancement and suppression of the VFR. There is also experimental evidence for the direct excitation of multimode VFR. Their contribution is analyzed using a statistical approach, with an outlook towards more accurate treatment of this phenomenon.

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

    Science.gov (United States)

    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

  19. Electron-Vibration Coupling in Molecular Materials: Assignment of Vibronic Modes from Photoelectron Momentum Mapping.

    Science.gov (United States)

    Graus, M; Grimm, M; Metzger, C; Dauth, M; Tusche, C; Kirschner, J; Kümmel, S; Schöll, A; Reinert, F

    2016-04-08

    Electron-phonon coupling is one of the most fundamental effects in condensed matter physics. We here demonstrate that photoelectron momentum mapping can reveal and visualize the coupling between specific vibrational modes and electronic excitations. When imaging molecular orbitals with high energy resolution, the intensity patterns of photoelectrons of the vibronic sidebands of molecular states show characteristic changes due to the distortion of the molecular frame in the vibronically excited state. By comparison to simulations, an assignment of specific vibronic modes is possible, thus providing unique information on the coupling between electronic and vibronic excitation.

  20. Pressure dependence of dissociation fraction and optical emission characteristics in low-pressure inductively coupled N2-Ar plasmas

    Directory of Open Access Journals (Sweden)

    T. H. Chung

    2011-09-01

    Full Text Available A diagnostics study of low-pressure inductively coupled N2-Ar plasmas was performed by using optical emission spectroscopy (OES and an rf-compensated Langmuir probe under the conditions of pressures of 1 - 30 mTorr and powers of 300 - 600 W. In the OES experiments, the argon was used as an actinometer and as an adding gas. The effect of the argon content in the gas mixture was examined in the range of 5 - 30%. The investigation of the effects of pressure on the dissociation fraction of nitrogen molecules and on the optical emission characteristics were carried out. The correction factors for estimating the dissociation fraction by OES actinometry accounting for argon effect were formulated and calculated. It was found that the dissociation fraction increased with increasing power and Ar content, while it decreased with increasing pressure. In addition, the electron energy probability function (EEPF, the electron density, and the electron temperature were obtained by using a Langmuir probe to investigate the effects of the plasma parameters on the optical emission characteristics and the dissociation fraction.

  1. Agglomeration of powders with a new-coupled vibration-compaction device

    Directory of Open Access Journals (Sweden)

    Serris Eric

    2017-01-01

    Full Text Available Inorganic powder recycling should be a crucial process for the “smart factories” in the future. A complex three-phase system (bauxite mixed with ordinary Portland cement and water with a new-coupled vibration-compaction device is studied. The compressive stress of compacts seems to be improved by using this device at low compaction pressure leaving the other characteristics unchanged. The tomographic study of macroscopic porosities shows differences in the pores repartitions inside vibrated and untreated compacts. Classic porosity repartition is shown in the classic compacted bauxite compacts whereas in the vibrated-compacted bauxite exhibits inhomogeneities. Despite this, we find these results quite promising for further investigations.

  2. Reduced Near-Resonant Vibrational Coupling at the Surfaces of Liquid Water and Ice.

    Science.gov (United States)

    Smit, Wilbert J; Versluis, Jan; Backus, Ellen H G; Bonn, Mischa; Bakker, Huib J

    2018-02-26

    We study the resonant interaction of the OH stretch vibrations of water molecules at the surfaces of liquid water and ice using heterodyne-detected sum-frequency generation (HD-SFG) spectroscopy. By studying different isotopic mixtures of H 2 O and D 2 O, we vary the strength of the interaction, and we monitor the resulting effect on the HD-SFG spectrum of the OH stretch vibrations. We observe that the near-resonant coupling effects are weaker at the surface than in the bulk, both for water and ice, indicating that for both phases of water the OH vibrations are less strongly delocalized at the surface than in the bulk.

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

    Science.gov (United States)

    Sangha, K.; Shamie, J.

    1990-01-01

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

  4. Vibration suppression in a flexible gyroscopic system using modal coupling strategies

    Directory of Open Access Journals (Sweden)

    Sultan A. Q. Siddiqui

    1996-01-01

    Full Text Available Several recent studies have shown that vibrations in a two-degree-of-freedom system can be suppressed by using modal coupling based control techniques. This involves making the first two natural frequencies commensurable (e.g, in a ratio of 1:1 or 1:2 to establish a state of Internal Resonance (IR. When the system exhibits IR, vibrations in the two directions are strongly coupled resulting in a beat phenomenon. Upon introducing damping in one direction, oscillations in both directions can be quickly suppressed. In this paper we consider vibration suppression of a flexible two-degree-of-freedom gyroscopic system using 1:1 and 1:2 IR. The possibility of using 1:1 and 1:2 IR to enhance the coupling in the system is established analytically using the perturbation method of multiple scales. The results of IR based control strategy are compared with a new method, which is based on tuning the system parameters to make the mode shapes identical. Results indicate that this new technique is more efficient and easy to implement than IR based control strategies. Another advantage of this method is that there is no restriction on the frequencies as in the case of IR. Finally, a control torque is obtained which on application automatically tunes the system parameters to establish modal coupling.

  5. Numerical Approach of Coupling Vibration Magneto-convection In Nanofluid

    Directory of Open Access Journals (Sweden)

    K Syham

    2016-06-01

    Full Text Available The objective of our work is to visualize numerically the effect of coupling vibratory excitation and magnetic field on cooling an electronic component or a solar cell (originality of our study in arid and semi-arid area. A square cavity of side H filled with Al2O3-water nanofluid where an electronic component is placed on the bottom horizontal wall is maintained at isothermal hot temperature Th. The top horizontal wall is maintained at a cold temperature Tc. The vertical walls are adiabatic. The equations describing the natural convection flow in the square cavity consist of mass conservation, momentum and energy. For the physical parameters of Al2O3-water nanofluid, we use the Brinkman and Wasp model. Transport equations are solved numerically by finite element method. The results are obtained for Rayleigh number Ra= 105, Hartmann numbers between 0 and 100 and vibratory excitation inclination angle between 0° and 90°. The external magnetic field inclination angle varies between 0° and 90° and the Rayleigh number ratio between 0 and 50.  Results are presented in the form of heat transfer flux ratio and maximum absolute value of stream function.

  6. Optimization procedure to control the coupling of vibration modes in flexible space structures

    Science.gov (United States)

    Walsh, Joanne L.

    1987-01-01

    As spacecraft structural concepts increase in size and flexibility, the vibration frequencies become more closely-spaced. The identification and control of such closely-spaced frequencies present a significant challenge. To validate system identification and control methods prior to actual flight, simpler space structures will be flown. To challenge the above technologies, it will be necessary to design these structures with closely-spaced or coupled vibration modes. Thus, there exists a need to develop a systematic method to design a structure which has closely-spaced vibration frequencies. This paper describes an optimization procedure which is used to design a large flexible structure to have closely-spaced vibration frequencies. The procedure uses a general-purpose finite element analysis program for the vibration and sensitivity analyses and a general-purpose optimization program. Results are presented from two studies. The first study uses a detailed model of a large flexible structure to design a structure with one pair of closely-spaced frequencies. The second study uses a simple equivalent beam model of a large flexible structure to obtain a design with two pairs of closely-spaced frequencies.

  7. Is the Coupling of C3V Internal Rotation and Normal Vibrations a Tractable Problem?

    Science.gov (United States)

    Pearson, John; Groner, Peter; Daly, Adam M.

    2016-06-01

    The solution of a C3V internal rotation problem for the torsional manifold of an isolated vibrational state such as the ground state is well established. However, once an interacting small amplitude vibrational state is involved the path to a solution becomes far less clear and there is little guidance in the literature on how to proceed. The fundamental challenge is that the torsional problem and the internal axis system are unique to each torsional manifold of a specific vibrational state. In an asymmetric top molecule vibrational angular momentum can be rotated away, but this sort of rotation changes the angle between the internal rotation axis and the principle axis when there is an internal rotor. This means that there is an angle between the internal axis systems of each torsional manifold of a vibrational state. The net result is that the coupling between the two states must account for the difference in internal axis angle and will have some significant consequences to the selection rules and interactions. Two cases will be discussed, methanol and ethyl cyanide.

  8. Vibration analysis of hydropower house based on fluid-structure coupling numerical method

    Directory of Open Access Journals (Sweden)

    Shu-he Wei

    2010-03-01

    Full Text Available By using the shear stress transport (SST model to predict the effect of random flow motion in a fluid zone, and using the Newmark method to solve the oscillation equations in a solid zone, a coupling model of the powerhouse and its tube water was developed. The effects of fluid-structure interaction are considered through the kinematic and dynamic conditions applied to the fluid-structure interfaces (FSI. Numerical simulation of turbulent flow through the whole flow passage of the powerhouse and concrete structure vibration analysis in the time domain were carried out with the model. Considering the effect of coupling the turbulence and the powerhouse structure, the time history response of both turbulent flows through the whole flow passage and powerhouse structure vibration were generated. Concrete structure vibration analysis shows that the displacement, velocity, and acceleration of the dynamo floor respond dramatically to pressure fluctuations in the flow passage. Furthermore, the spectrum analysis suggests that pressure fluctuation originating from the static and dynamic disturbances of hydraulic turbine blades in the flow passage is one of the most important vibration sources.

  9. A Coupling Vibration Test Bench and the Simulation Research of a Maglev Vehicle

    Directory of Open Access Journals (Sweden)

    Weihua Ma

    2015-01-01

    Full Text Available To study the characteristics of the coupling vibration between a maglev vehicle and its track beam system and to improve the performance of the levitation system, a new type of vibration test bench was developed. Take a single maglev frame as the study object; simulation of the coupling vibration of the maglev vehicle, levitation system, and track beam were achieved. In addition, all types of real track irregularity excitations can be simulated using hydraulic actuators of the test bench. To expand the research scope, a simulation model was developed that can conduct the simulation research synergistically with the test bench. Based on a dynamics model of the test bench, the dynamics simulation method determined the influence on the levitation control performance of three factors: the track beam support stiffness, the track beam mass, and the track irregularity. The vibration resonance phenomenon of the vehicle/track system was reproduced by the dynamics simulation, and a portion of the simulation results were validated by the test results. By combining the test bench and the dynamics model, experiments can be guided by the simulation results, and the experimental results can validate the dynamics simulation results.

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

    Science.gov (United States)

    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.

  11. Ro-vibrational coupling in high temperature thermochemistry of the BBr molecule

    Science.gov (United States)

    Buchowiecki, Marcin

    2018-01-01

    High temperature thermochemistry of the BBr molecule is investigated with the classical approach in the temperature range of 300-20,000 K. The role of ro-vibrational coupling is elucidated. The internal partition function, thermal energy, heat capacity, and entropy are calculated at three levels of approximation, i.e. taking into account bound states on the ground state (1 Σ), including also two excited states (3 Π and 1 Π), and finally adding the resonance and scattering states. The influence of these approximations on studied quantities is investigated. The entropy is found to be the least sensitive to approximations in the ro-vibrational coupling and the heat capacity the most sensitive.

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

    Science.gov (United States)

    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.

  13. Highly sensitive mass detection and identification using vibration localization in coupled microcantilever arrays

    Science.gov (United States)

    Spletzer, Matthew; Raman, Arvind; Sumali, Hartono; Sullivan, John P.

    2008-03-01

    We study the use of vibration localization in large arrays of mechanically coupled, nearly identical microcantilevers for ultrasensitive mass detection and identification. We demonstrate that eigenmode changes in such an array can be two to three orders of magnitude greater than relative changes in resonance frequencies when an analyte mass is added. Moreover, the changes in eigenmodes are unique to the cantilever to which mass is added, thereby providing a characteristic "fingerprint" that identifies the particular cantilever where mass has been added. This opens the door to ultrasensitive detection and identification of multiple analytes with a single coupled array.

  14. Coupled analysis of multi-impact energy harvesting from low-frequency wind induced vibrations

    Science.gov (United States)

    Zhu, Jin; Zhang, Wei

    2015-04-01

    Energy need from off-grid locations has been critical for effective real-time monitoring and control to ensure structural safety and reliability. To harvest energy from ambient environments, the piezoelectric-based energy-harvesting system has been proven very efficient to convert high frequency vibrations into usable electrical energy. However, due to the low frequency nature of the vibrations of civil infrastructures, such as those induced from vehicle impacts, wind, and waves, the application of a traditional piezoelectric-based energy-harvesting system is greatly restrained since the output power drops dramatically with the reduction of vibration frequencies. This paper focuses on the coupled analysis of a proposed piezoelectric multi-impact wind-energy-harvesting device that can effectively up-convert low frequency wind-induced vibrations into high frequency ones. The device consists of an H-shape beam and four bimorph piezoelectric cantilever beams. The H-shape beam, which can be easily triggered to vibrate at a low wind speed, is originated from the first Tacoma Narrows Bridge, which failed at wind speeds of 18.8 m s-1 in 1940. The multi-impact mechanism between the H-shape beam and the bimorph piezoelectric cantilever beams is incorporated to improve the harvesting performance at lower frequencies. During the multi-impact process, a series of sequential impacts between the H-shape beam and the cantilever beams can trigger high frequency vibrations of the cantilever beams and result in high output power with a considerably high efficiency. In the coupled analysis, the coupled structural, aerodynamic, and electrical equations are solved to obtain the dynamic response and the power output of the proposed harvesting device. A parametric study for several parameters in the coupled analysis framework is carried out including the external resistance, wind speed, and the configuration of the H-shape beam. The average harvested power for the piezoelectric cantilever

  15. On the Nonlinear Behavior of the Piezoelectric Coupling on Vibration-Based Energy Harvesters

    Directory of Open Access Journals (Sweden)

    Luciana L. Silva

    2015-01-01

    Full Text Available Vibration-based energy harvesting with piezoelectric elements has an increasing importance nowadays being related to numerous potential applications. A wide range of nonlinear effects is observed in energy harvesting devices and the analysis of the power generated suggests that they have considerable influence on the results. Linear constitutive models for piezoelectric materials can provide inconsistencies on the prediction of the power output of the energy harvester, mainly close to resonant conditions. This paper investigates the effect of the nonlinear behavior of the piezoelectric coupling. A one-degree of freedom mechanical system is coupled to an electrical circuit by a piezoelectric element and different coupling models are investigated. Experimental tests available in the literature are employed as a reference establishing the best matches of the models. Subsequently, numerical simulations are carried out showing different responses of the system indicating that nonlinear piezoelectric couplings can strongly modify the system dynamics.

  16. Rapid voltage-dependent dissociation of scorpion alpha-toxins coupled to Na channel inactivation in amphibian myelinated nerves

    Science.gov (United States)

    1986-01-01

    The voltage-dependent action of several scorpion alpha-toxins on Na channels was studied in toad myelinated nerve under voltage clamp. These toxins slow the declining phase of macroscopic Na current, apparently by inhibiting an irreversible channel inactivation step and thus permitting channels to reopen from a closed state in depolarized membranes. In this article, we describe the rapid reversal of alpha- toxin action by membrane depolarizations more positive than +20 mV, an effect not achieved by extensive washing. Depolarizations that were increasingly positive and of longer duration caused the toxin to dissociate faster and more completely, but only up to a limiting extent. Repetitive pulses had a cumulative effect equal to that of a single pulse lasting as long as their combined duration. When the membrane of a nonperfused fiber was repolarized, the effects of the toxin returned completely, but if the fiber was perfused during the conditioning procedure, recovery was incomplete and occurred more slowly, as it did at lower applied toxin concentrations. Other alpha- type toxins, from the scorpion Centruroides sculpturatus (IVa) and the sea anemone Anemonia sulcata (ATXII), exhibited similar voltage- dependent binding, though each had its own voltage range and dissociation rate. We suggest that the dissociation of the toxin molecule from the Na channel is coupled to the inactivation process. An equivalent valence for inactivation gating, of less than 1 e per channel, is calculated from the voltage-dependent change in toxin affinity. PMID:2428923

  17. Design for coupled-mode flutter and non-synchronous vibration in turbomachinery

    Science.gov (United States)

    Clark, Stephen Thomas

    This research presents the detailed investigation of coupled-mode flutter and non-synchronous vibration in turbomachinery. Coupled-mode flutter and non-synchronous vibration are two aeromechanical challenges in designing turbomachinery that, when present, can cause engine blade failure. Regarding flutter, current industry design practices calculate the aerodynamic loads on a blade due to a single mode. In response to these design standards, a quasi three-dimensional, reduced-order modeling tool was developed for identifying the aeroelastic conditions that cause multi-mode flutter. This tool predicts the onset of coupled-mode flutter reasonable well for four different configurations, though certain parameters were tuned to agree with experimentation. Additionally, the results of this research indicate that mass ratio, frequency separation, and solidity have an effect on critical rotor speed for flutter. Higher mass-ratio blades require larger rotational velocities before they experience coupled-mode flutter. Similarly, increasing the frequency separation between modes and raising the solidity increases the critical rotor speed. Finally, and most importantly, design guidelines were generated for defining when a multi-mode flutter analysis is required in practical turbomachinery design. Previous work has shown that industry computational fluid dynamics can approximately predict non-synchronous vibration (NSV), but no real understanding of frequency lock-in and blade limit-cycle amplitude exists. Therefore, to understand the causes of NSV, two different reduced-order modeling approaches were used. The first approach uses a van der Pol oscillator to model a non-linear fluid instability. The van der Pol model is then coupled to a structural degree of freedom. This coupled system exhibits the two chief properties seen in experimental and computational non-synchronous vibration. Under various conditions, the fluid instability and the natural structural frequency will lock

  18. Multi-beam laser Doppler vibrometry for acoustic landmine detection using airborne and mechanically coupled vibration

    Science.gov (United States)

    Aranchuk, Vyacheslav; Sabatier, James M.; Lal, Amit K.; Hess, Cecil F.; Burgett, Richard D.; O'Neill, Michael

    2005-06-01

    Acoustic-to-seismic coupling-based technology using a multi-beam laser Doppler vibrometer (LDV) as a vibration sensor has proved itself as a potential confirmatory sensor for buried landmine detection. The multi-beam LDV simultaneously measures the vibration of the ground at 16 points spread over a 1-meter line. The multi-beam LDV was used in two modes of operation: stop-and-stare, and continuously scanning beams. The noise floor of measurements in the continuously scanning mode increased with increasing scanning speed. This increase in the velocity noise floor is caused by dynamic speckles. The influence of amplitude and phase fluctuations of the Doppler signal due to dynamic speckles on the phase locked loop (PLL) demodulated output is discussed in the paper. Either airborne sound or mechanical shakers can be used as a source to excite vibration of the ground. A specially-designed loudspeaker array and mechanical shakers were used in the frequency range from 85-2000 Hz to excite vibrations in the ground and elicit resonances in the mine. The efficiency of these two methods of excitation has been investigated and is discussed in the paper. This research is supported by the U. S. Army Research, Development, and Engineering Command, Night, Vision and Electronic Sensors Directorate under Contract DAAB15-02-C-0024.

  19. Symmetry, vibrational energy redistribution and vibronic coupling: The internal conversion processes of cycloketones

    DEFF Research Database (Denmark)

    Kuhlman, Thomas Scheby; Sauer, Stephan P.A.; Sølling, Theis I.

    2012-01-01

    In this paper, we discern two basic mechanisms of internal conversion processes; one direct, where immediate activation of coupling modes leads to fast population transfer and one indirect, where internal vibrational energy redistribution leads to equidistribution of energy, i.e., ergodicity......, and slower population transfer follows. Using model vibronic coupling Hamiltonians parameterized on the basis of coupled-cluster calculations, we investigate the nature of the Rydberg to valence excited-state internal conversion in two cycloketones, cyclobutanone and cyclopentanone. The two basic mechanisms...... can amply explain the significantly different time scales for this process in the two molecules, a difference which has also been reported in recent experimental findings [T. S. Kuhlman, T. I. Sølling, and K. B. Møller, ChemPhysChem. 13, 820 (2012)]...

  20. Communication: The highest frequency hydrogen bond vibration and an experimental value for the dissociation energy of formic acid dimer

    DEFF Research Database (Denmark)

    Kollipost, F.; Larsen, René Wugt; Domanskaya, A.V.

    2012-01-01

    thermodynamics treatment of the dimerization process up to room temperature. We obtain D0 = 59.5(5) kJ/mol as the best experimental estimate for the dimer dissociation energy at 0 K. Further improvements have to wait for a more consistent determination of the room temperature equilibrium constant....

  1. An Improved Fourier Series Method for the Free Vibration Analysis of the Three-Dimensional Coupled Beams

    Directory of Open Access Journals (Sweden)

    Runze Zhang

    2016-01-01

    Full Text Available This paper presents a free vibration analysis of three-dimensional coupled beams with arbitrary coupling angle using an improved Fourier method. The displacement and rotation of the coupled beams are represented by the improved Fourier series which consisted of Fourier cosine series and closed-form auxiliary functions. The coupling and boundary conditions are accomplished by setting coupling and boundary springs and assigning corresponding stiffness values to the springs. Modal parameters are determined through the application of Rayleigh-Ritz procedure to the system energy formulation. The accuracy and convergence of the present method are demonstrated by finite element method (FEM result. Investigation on vibration of the propulsion shafting structure shows the extensive applicability of present method. The studies on the vibration suppression devices are also reported.

  2. Optimum Tuning of a Gyroscopic Vibration Absorber Using Coupled Gyroscopes for Vibration Control of a Vertical Cantilever Beam

    Directory of Open Access Journals (Sweden)

    F. Ünker

    2016-01-01

    Full Text Available This paper deals with the investigation of optimum values of the stiffness and damping which connect two gyroscopic systems formed by two rotors mounted in gimbal assuming negligible masses for the spring, damper, and gimbal support. These coupled gyroscopes use two gyroscopic flywheels, spinning in opposing directions to have reverse precessions to eliminate the forces due to the torque existing in the torsional spring and the damper between gyroscopes. The system is mounted on a vertical cantilever with the purpose of studying the horizontal and vertical vibrations. The equation of motion of the compound system (gyro-beam system is introduced and solved to find the response measured on the primary system. This is fundamental to design, in some way, the dynamic absorber or neutralizer. On the other hand, the effect of the angular velocities of the gyroscopes are studied, and it is shown that the angular velocity (spin velocity of a gyroscope has a significant effect on the behavior of the dynamic motion. Correctness of the analytical results is verified by numerical simulations. The comparison with the results from the derivation of the corresponding frequency equations shows that the optimized stiffness and damping values are very accurate.

  3. Particle-vibration coupling: Recent advances in microscopic calculations with the Skyrme Hamiltonian

    Energy Technology Data Exchange (ETDEWEB)

    Colò, G., E-mail: gianluca.colo@mi.infn.it [Università degli Studi di Milano, Dipartimento di Fisica (Italy); Baldo, M. [Sez. di Catania, Istituto Nazionale di Fisica Nucleare (INFN) (Italy); Bortignon, P. F.; Rizzo, D.; Bocchi, G. [Università degli Studi di Milano, Dipartimento di Fisica (Italy)

    2016-11-15

    In this contribution, we report some recent progress in our understanding of particle-vibration coupling (PVC) in nuclei. In particular, we first review the formal development that has allowed some of us to deduce the PVC equations within the Green’s functionmethod. Applications are then discussed, both in the case of single-particle states and giant resonances in magic nuclei. We also present a new model that extends the PVC ansatz and is meant to account for the complete low-lying spectra of odd nuclei.

  4. The control of drilling vibrations: A coupled PDE-ODE modeling approach

    Directory of Open Access Journals (Sweden)

    Saldivar Belem

    2016-06-01

    Full Text Available The main purpose of this contribution is the control of both torsional and axial vibrations occurring along a rotary oilwell drilling system. The model considered consists of a wave equation coupled to an ordinary differential equation (ODE through a nonlinear function describing the rock-bit interaction. We propose a systematic method to design feedback controllers guaranteeing ultimate boundedness of the system trajectories and leading consequently to the suppression of harmful dynamics. The proposal of a Lyapunov-Krasovskii functional provides stability conditions stated in terms of the solution of a set of linear and bilinear matrix inequalities (LMIs, BMIs. Numerical simulations illustrate the efficiency of the obtained control laws.

  5. Enrichment and Analysis of Nonenzymatically Glycated Peptides: Boronate Affinity Chromatography Coupled with Electron-Transfer Dissociation Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Qibin; Tang, Ning; Brock, Jonathan W.; Mottaz, Heather M.; Ames, Jennifer M.; Baynes, John; Smith, Richard D.; Metz, Thomas O.

    2007-06-01

    Non-enzymatic glycation of peptides and proteins by D-glucose has important implications in the pathogenesis of diabetes mellitus, particularly in the development of diabetic complications. However, no effective high-throughput methods exist for identifying proteins containing this low abundance post-translational modification in bottom-up proteomic studies. In this report, phenylboronate affinity chromatography was used in a two-step enrichment scheme to selectively isolate first glycated proteins and then glycated, tryptic peptides from human serum glycated in vitro. Enriched peptides were subsequently analyzed by alternating electron transfer dissociation (ETD) and collision induced dissociation (CID) tandem mass spectrometry. It was observed that ETD fragmentation mode resulted in a significantly higher number of glycated peptide identifications (87.6% of all identified peptides) versus CID mode (17.0% of all identified peptides), when utilizing dual glycation enrichment on both the protein and peptide level. This study illustrates that phenylboronate affinity chromatography coupled with LC-MS/MS with ETD as the fragmentation mode is an efficient approach for analyses of glycated proteins and can have broad applications in studies of diabetes mellitus.

  6. Enrichment and Analysis of Non-enzymatically Glycated Peptides: Boronate Affinity Chromatography Coupled with Electron Transfer Dissociation Mass Spectrometry

    Science.gov (United States)

    Zhang, Qibin; Tang, Ning; Brock, Jonathan W. C.; Mottaz, Heather M.; Ames, Jennifer M.; Baynes, John W.; Smith, Richard D.; Metz, Thomas O.

    2008-01-01

    Non-enzymatic glycation of peptides and proteins by D-glucose has important implications in the pathogenesis of diabetes mellitus, particularly in the development of diabetic complications. However, no effective high-throughput methods exist for identifying proteins containing this low abundance post-translational modification in bottom-up proteomic studies. In this report, phenylboronate affinity chromatography was used in a two-step enrichment scheme to selectively isolate first glycated proteins and then glycated, tryptic peptides from human serum glycated in vitro. Enriched peptides were subsequently analyzed by alternating electron transfer dissociation (ETD) and collision induced dissociation (CID) tandem mass spectrometry. ETD fragmentation mode permitted identification of a significantly higher number of glycated peptides (87.6% of all identified peptides) versus CID mode (17.0% of all identified peptides), when utilizing enrichment on first the protein and then the peptide level. This study illustrates that phenylboronate affinity chromatography coupled with LC-MS/MS and using ETD as the fragmentation mode is an efficient approach for analysis of glycated proteins and may have broad application in studies of diabetes mellitus. PMID:17488106

  7. Coupling effects of nonlocal and modified couple stress theories incorporating surface energy on analytical transverse vibration of a weakened nanobeam

    Science.gov (United States)

    Sourki, R.; Hosseini, S. A.

    2017-04-01

    An analytical solution to the flexural vibration of a weakened nanobeam on the basis of the nonlocal modified couple stress theory including surface effects is under consideration. In this investigation nanobeams are studied within the framework of the Euler-Bernoulli beam theory. The nanobeam is weakened by a crack modeled as a rotational spring at the crack position. This assumption divides the beam into two sections, invoking additional conditions on the beam. The governing equations and boundary conditions for the beam are obtained by applying the Hamilton principle. The natural frequencies for the cracked nanobeam are determined to investigate the effects of crack severity, crack position, nonlocal parameter, material length scale parameter and surface effect parameters. It has been found that the mentioned parameters have considerable effects on stiffness and have a significant impact the dynamic behavior of the nanobeam.

  8. Forced vibration and wave propagation in mono-coupled periodic structures

    DEFF Research Database (Denmark)

    Ohlrich, Mogens

    1986-01-01

    This paper describes the wave propagation and vibration characteristics of mono-coupled structures which are of spatially periodic nature. The receptance approach to periodic structure theory is applied to study undamped periodic systems with composite structural elements; particular emphasis...... is laid on investigating resonant periodic point loading and its pronounced effect on the propagation of longitudinal waves. General mono-coupled periodic systems are first assumed to be infinite in extent; thereafter reflections caused by arbitrary end terminations of finite structures are considered...... and a general `closed form' solution is found for the forced harmonic response at element junctions. This `junction-receptance' is used to determine-discrete junction mode shapes of a finite system. Finally, the forced response of a finite structure with an internal obstruction is derived as a natural extension...

  9. Signal transmission by vibrational resonance in one-way coupled bistable systems.

    Science.gov (United States)

    Yao, Chenggui; Zhan, Meng

    2010-06-01

    Low-frequency signal transmission in one-way coupled bistable systems subject to a high-frequency force is studied. Two cases including the high-frequency force on all sites (case 1) and only on the first site (case 2) are considered. In these two cases, vibrational resonance induced by the high-frequency force can play an active role to effectively improve the signal transmission, and undamped signal transmission can be found in a broad parameter region. The combinative action of injected low-frequency signal, high-frequency driving, and coupling is of importance. Our findings suggest that high-frequency signal could be properly used in low-frequency signal transmission, and especially the implementation of high-frequency force simply on the first site for case 2 is meaningful for its simplicity and high efficiency.

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    Intartaglia, Carmela; Soria, Leonardo; Porfiri, Maurizio

    2014-01-01

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

  12. Dynamics of coupled nonlinear oscillators: The formation of long-lived vibrational states in the case of molecular systems

    Science.gov (United States)

    Koval'skaya, G. A.; Petrov, A. K.

    2016-01-01

    Nonlinear vibrations in a closed system of coupled nonlinear oscillators are studied using acetylene type molecules as an example. A criterion for the stable existence of long-lived vibrational states—local modes—in one of the oscillators is obtained. It is shown that the disappearance of a local mode, as well as its appearance, proceeds abruptly, and the mechanism of stabilization of these excitations is due to the presence or absence of internal resonances of an oscillatory system such as any polyatomic molecule. Energy values needed to excite vibrations in which local modes can appear are determined. It is shown that calculation results agree with experimental data.

  13. Vibronic coupling in the superoxide anion: the vibrational dependence of the photoelectron angular distribution.

    Science.gov (United States)

    Van Duzor, Matthew; Mbaiwa, Foster; Wei, Jie; Singh, Tulsi; Mabbs, Richard; Sanov, Andrei; Cavanagh, Steven J; Gibson, Stephen T; Lewis, Brenton R; Gascooke, Jason R

    2010-11-07

    We present a comprehensive photoelectron imaging study of the O(2)(X  (3)Σ(g)(-),v(')=0-6)←O(2)(-)(X  (2)Π(g),v(")=0) and O(2)(a (1)Δ(g),v(')=0-4)←O(2)(-)(X  (2)Π(g),v(")=0) photodetachment bands at wavelengths between 900 and 455 nm, examining the effect of vibronic coupling on the photoelectron angular distribution (PAD). This work extends the v(')=1-4 data for detachment into the ground electronic state, presented in a recent communication [R. Mabbs, F. Mbaiwa, J. Wei, M. Van Duzor, S. T. Gibson, S. J. Cavanagh, and B. R. Lewis, Phys. Rev. A 82, 011401(R) (2010)]. Measured vibronic intensities are compared to Franck-Condon predictions and used as supporting evidence of vibronic coupling. The results are analyzed within the context of the one-electron, zero core contribution (ZCC) model [R. M. Stehman and S. B. Woo, Phys. Rev. A 23, 2866 (1981)]. For both bands, the photoelectron anisotropy parameter variation with electron kinetic energy, β(E), displays the characteristics of photodetachment from a d-like orbital, consistent with the π(g)(∗) 2p highest occupied molecular orbital of O(2)(-). However, differences exist between the β(E) trends for detachment into different vibrational levels of the X  (3)Σ(g)(-) and a (1)Δ(g) electronic states of O(2). The ZCC model invokes vibrational channel specific "detachment orbitals" and attributes this behavior to coupling of the electronic and nuclear motion in the parent anion. The spatial extent of the model detachment orbital is dependent on the final state of O(2): the higher the neutral vibrational excitation, the larger the electron binding energy. Although vibronic coupling is ignored in most theoretical treatments of PADs in the direct photodetachment of molecular anions, the present findings clearly show that it can be important. These results represent a benchmark data set for a relatively simple system, upon which to base rigorous tests of more sophisticated models.

  14. Kinetic-energy release of fragments from electron-impact dissociation of the molecular hydrogen ion and its isotopologues

    Science.gov (United States)

    Scarlett, Liam H.; Zammit, Mark C.; Fursa, Dmitry V.; Bray, Igor

    2017-08-01

    We calculate the kinetic-energy release distributions of fragments produced for electron-impact dissociation of the vibrationally excited molecular hydrogen ion H2 + and its isotopologues D2 + and T2 +. Here we apply the adiabatic-nuclei convergent close-coupling method and compare results with several different methods, including the δ approximation. Results are presented for a number of dissociative excitation transitions and dissociative ionization as a function of the initial vibrational state of the molecule. We confirm that the square root approximation is a good approximation for the adiabatic-nuclei kinetic-energy release cross sections of H2 +. Agreement with experiment, where available, is good.

  15. The Influence of Shaft’s Bending on the Coupling Vibration of a Flexible Blade-Rotor System

    Directory of Open Access Journals (Sweden)

    Chao-feng Li

    2017-01-01

    Full Text Available The influence of shaft bending on the coupling vibration of rotor-blades system is nonignorable. Therefore, this paper analyzed the influence of shaft bending on the coupling vibration of rotor-blades system. The vibration mode function of shaft under elastic supporting condition was also derived to ensure accuracy of the model as well. The influence of the number of blades, the position of disk, and the support stiffness of shaft on critical speed of system was analyzed. The numerical results show that there were two categories of coupling mode shapes which belong to a set where the blade’s first two modes predominate in the system: shaft-blade (SB mode and interblade (BB mode due to the coupling between blade and shaft. The BB mode was of repeated frequencies of (Nb-2 multiplicity for number blades, and the SB mode was of repeated frequencies of (2 multiplicity for number blades. What is more, with the increase of the number of blades, natural frequency of rotor was decreasing linearly, that of BB mode was constant, and that of SB mode was increasing linearly. Natural frequency of BB mode was not affected while that of rotor and SB mode was affected (changed symmetrically with the center of shaft by the position of disk. In the end, vibration characteristics of coupling mode shapes were analyzed.

  16. Prediction of high-frequency vibration transmission across coupled, periodic ribbed plates by incorporating tunneling mechanisms.

    Science.gov (United States)

    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.

  17. Interplay between Hydrogen Bonding and Vibrational Coupling in Liquid N-Methylacetamide.

    Science.gov (United States)

    Cunha, Ana V; Salamatova, Evgeniia; Bloem, Robbert; Roeters, Steven J; Woutersen, Sander; Pshenichnikov, Maxim S; Jansen, Thomas L C

    2017-06-01

    Intrinsically disordered proteins play an important role in biology, and unraveling their labile structure presents a vital challenge. However, the dynamical structure of such proteins thwarts their study by standard techniques such as X-ray diffraction and NMR spectroscopy. Here, we use a neat liquid composed of N-methylacetamide molecules as a model system to elucidate dynamical and structural properties similar to those one can expect to see in intrinsically disordered proteins. To examine the structural dynamics in the neat liquid, we combine molecular dynamics, response-function-based spectral simulations, and two-dimensional polarization-resolved infrared spectroscopy in the amide I (CO stretch) region. The two-dimensional spectra reveal a delicate interplay between hydrogen bonding and intermolecular vibrational coupling effects, observed through a fast anisotropy decay. The present study constitutes a general platform for understanding the structure and dynamics of highly disordered proteins.

  18. The analysis on coupling vibration of drill string and marine riser in deep-water drilling

    Directory of Open Access Journals (Sweden)

    C Han

    2016-09-01

    Full Text Available During drilling in the deep water, the system including marine riser and drill string over the wellhead exits strong dynamic response because of the motion of platform. The contact-collision problem between the drill string and marine riser under platform swaying is a highly non-linear dynamics problem, drill string and marine riser contact-collision position along the axis of marine riser is randomly distributed, and that there exits friction. In this paper, by using the method of finite element, the model of dynamical behavior of the system is set up, the state of contact between marine riser and drill string shows randomness. The rule of free lateral coupling vibration of drill string and marine riser has been obtained; the result shows the situation of random contact between drill string and marine rising. By case analysis the result shows that the platform swaying has great effect to the system of marine riser and drill string.

  19. Study of coupling between bending and torsional vibration of cracked rotor system supported by radial active magnetic bearings

    OpenAIRE

    Ferfecki P.

    2007-01-01

    The coupling of bending and torsional vibration due to the presence of transverse fatigue crack in a rotor system supported by radial active magnetic bearings (AMB) is investigated. For this purpose the modified stiffness matrix with six degrees of freedom per node is used and takes into account all the coupling phenomena that exists in a cracked rotor. The partial opening and closing of crack is considered by means of status of stress intensity factor along the crack edge. The equation of mo...

  20. Coherent coupling between a molecular vibration and Fabry-Perot optical cavity to give hybridized states in the strong coupling limit (Presentation Recording)

    Science.gov (United States)

    Long, James P.; Owrutsky, Jeff C.; Fears, Kenan P.; Dressick, Walter J.; Dunkelberger, Adam D.; Compton, Ryan; Spann, Bryan; Simpkins, Blake S.

    2015-09-01

    Coherent coupling between an optical-transition and confined optical mode, when sufficiently strong, gives rise to new modes separated by the vacuum Rabi splitting. Such systems have been investigated for electronic-state transitions, however, only very recently have vibrational transitions been considered. Here, we bring strong polaritonic-coupling in cavities from the visible into the infrared where a new range of static and dynamic vibrational processes await investigation. First, we experimentally and numerically describe coupling between a Fabry-Perot cavity and carbonyl stretch (~1730 cm 1) in poly-methylmethacrylate. As is requisite for "strong coupling", the measured vacuum Rabi splitting of 132 cm 1 is much larger than the full width of the cavity (34 cm-1) and the inhomogeneously broadened carbonyl-stretch (24 cm-1). Agreement with classical theories providea evidence that the mixed-states are relatively immune to inhomogeneous broadening. Next, we investigate strong and weak coupling regimes through examination of cavities loaded with varying concentrations of urethane. Rabi splittings increases from 0 to ~104 cm-1 with concentrations from 0-20 vol% and are in excellent agreement to an analytical description using no fitting parameters. Ultra-fast pump-probe measurements reveal transient absorption signals over a frequency range well-separated from the vibrational band as well as modifications of energy relaxation times. Finally, we demonstrate coupling to liquids using the C-O stretching band (~1985 cm-1) of Mo(CO)6 in an aqueous solution. 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 statically and dynamically.

  1. Research on Effective Electric-Mechanical Coupling Coefficient of Sandwich Type Piezoelectric Ultrasonic Transducer Using Bending Vibration Mode

    Directory of Open Access Journals (Sweden)

    Qiang Zhang

    2015-01-01

    Full Text Available An analytical model on electromechanical coupling coefficient and the length optimization of a bending piezoelectric ultrasonic transducer are proposed. The piezoelectric transducer consists of 8 PZT elements sandwiched between four thin electrodes, and the PZT elements are clamped by a screwed connection between fore beam and back beam. Firstly, bending vibration model of the piezoelectric transducer is built based on the Timoshenko beam theory. Secondly, the analytical model of effective electromechanical coupling coefficient is built based on the bending vibration model. Energy method and electromechanical equivalent circuit method are involved in the modelling process. To validate the analytical model, sandwich type piezoelectric transducer example in second order bending vibration mode is analysed. Effective electromechanical coupling coefficient of the transducer is optimized with simplex reflection technique, and the optimized ratio of length of the transducers is obtained. Finally, experimental prototypes of the sandwich type piezoelectric transducers are fabricated. Bending vibration mode and impedance of the experimental prototypes are tested, and electromechanical coupling coefficient is obtained according to the testing results. Results show that the analytical model is in good agreement with the experimental model.

  2. Coupled rotor-fuselage vibration reduction with multiple frequency blade pitch control

    Science.gov (United States)

    Papavassiliou, I.; Friedmann, P. P.; Venkatesan, C.

    1991-01-01

    A nonlinear coupled rotor/flexible fuselage analysis has been developed and used to study the effects of higher harmonic blade pitch control on the vibratory hub loads and fuselage acceleration levels. Previous results, obtained with this model have shown that conventional higher harmonic control (HHC) inputs aimed at hub shear reduction cause an increase in the fuselage accelerations and vice-versa. It was also found that for simultaneous reduction of hub shears and fuselage accelerations, a pitch input representing a combination of two higher harmonic components of different frequencies was needed. Subsequently, it was found that this input could not be implemented through a conventional swashplate. This paper corrects a mistake originally made in the representation of the multiple frequency pitch input and shows that such a pitch input can be only implemented in the rotating reference frame. A rigorous mathematical solution is found, for the pitch input in the rotating reference frame, which produces simultaneous reduction of hub shears and fuselage acceleration. New insight on vibration reduction in coupled rotor/fuselage systems is obtained from the sensitivity of hub shears to the frequency and amplitude of the open loop HHC signal in the rotating reference frame. Finally the role of fuselage flexibility in this class of problems is determined.

  3. Giant electromechanical coupling of relaxor ferroelectrics controlled by polar nanoregion vibrations.

    Science.gov (United States)

    Manley, Michael E; Abernathy, Douglas L; Sahul, Raffi; Parshall, Daniel E; Lynn, Jeffrey W; Christianson, Andrew D; Stonaha, Paul J; Specht, Eliot D; Budai, John D

    2016-09-01

    Relaxor-based ferroelectrics are prized for their giant electromechanical coupling and have revolutionized sensor and ultrasound applications. A long-standing challenge for piezoelectric materials has been to understand how these ultrahigh electromechanical responses occur when the polar atomic displacements underlying the response are partially broken into polar nanoregions (PNRs) in relaxor-based ferroelectrics. Given the complex inhomogeneous nanostructure of these materials, it has generally been assumed that this enhanced response must involve complicated interactions. By using neutron scattering measurements of lattice dynamics and local structure, we show that the vibrational modes of the PNRs enable giant coupling by softening the underlying macrodomain polarization rotations in relaxor-based ferroelectric PMN-xPT {(1 - x)[Pb(Mg1/3Nb2/3)O3] - xPbTiO3} (x = 30%). The mechanism involves the collective motion of the PNRs with transverse acoustic phonons and results in two hybrid modes, one softer and one stiffer than the bare acoustic phonon. The softer mode is the origin of macroscopic shear softening. Furthermore, a PNR mode and a component of the local structure align in an electric field; this further enhances shear softening, revealing a way to tune the ultrahigh piezoelectric response by engineering elastic shear softening.

  4. Influence of weak vibrational-electronic couplings on 2D electronic spectra and inter-site coherence in weakly coupled photosynthetic complexes

    Energy Technology Data Exchange (ETDEWEB)

    Monahan, Daniele M.; Whaley-Mayda, Lukas; Fleming, Graham R., E-mail: grfleming@lbl.gov [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Kavli Energy NanoSciences Institute at Berkeley, Berkeley, California 94720 (United States); Ishizaki, Akihito [Institute for Molecular Science, National Institutes of Natural Sciences, Okazaki 444-8585 (Japan)

    2015-08-14

    Coherence oscillations measured in two-dimensional (2D) electronic spectra of pigment-protein complexes may have electronic, vibrational, or mixed-character vibronic origins, which depend on the degree of electronic-vibrational mixing. Oscillations from intrapigment vibrations can obscure the inter-site coherence lifetime of interest in elucidating the mechanisms of energy transfer in photosynthetic light-harvesting. Huang-Rhys factors (S) for low-frequency vibrations in Chlorophyll and Bacteriochlorophyll are quite small (S ≤ 0.05), so it is often assumed that these vibrations influence neither 2D spectra nor inter-site coherence dynamics. In this work, we explore the influence of S within this range on the oscillatory signatures in simulated 2D spectra of a pigment heterodimer. To visualize the inter-site coherence dynamics underlying the 2D spectra, we introduce a formalism which we call the “site-probe response.” By comparing the calculated 2D spectra with the site-probe response, we show that an on-resonance vibration with Huang-Rhys factor as small as S = 0.005 and the most strongly coupled off-resonance vibrations (S = 0.05) give rise to long-lived, purely vibrational coherences at 77 K. We moreover calculate the correlation between optical pump interactions and subsequent entanglement between sites, as measured by the concurrence. At 77 K, greater long-lived inter-site coherence and entanglement appear with increasing S. This dependence all but vanishes at physiological temperature, as environmentally induced fluctuations destroy the vibronic mixing.

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

    Science.gov (United States)

    Ebrahimi, Farzad; Barati, Mohammad Reza

    2017-12-01

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

  6. Enhancement of Energy Harvesting Performance by a Coupled Bluff Splitter Body and PVEH Plate through Vortex Induced Vibration near Resonance

    Directory of Open Access Journals (Sweden)

    Wei Ken Chin

    2017-09-01

    Full Text Available Inspired by vortex induced vibration energy harvesting development as a new source of renewable energy, a T-shaped design vibration energy harvester is introduced with the aim of enhancing its performance through vortex induced vibration at near resonance conditions. The T-shaped structural model designed consists of a fixed boundary aluminum bluff splitter body coupled with a cantilever piezoelectric vibration energy harvesters (PVEH plate model which is a piezoelectric bimorph plate made of a brass plate sandwiched between 2 lead zirconate titanate (PZT plates. A 3-dimensional Fluid-Structure Interaction simulation analysis is carried out with Reynolds Stress Turbulence Model under wind speed of 7, 10, 12, 14, 16, 18, 19, 20, 22.5, and 25 m/s. The results showed that with 19 m/s wind speed, the model generates 75.758 Hz of vortex frequency near to the structural model’s natural frequency of 76.9 Hz. Resonance lock-in therefore occurred, generating a maximum displacement amplitude of 2.09 mm or a 49.76% increment relatively in vibrational amplitude. Under the effect of resonance at the PVEH plate’s fundamental natural frequency, it is able to generate the largest normalized power of 13.44 mW/cm3g2.

  7. Characterizing the free and surface-coupled vibrations of heated-tip atomic force microscope cantilevers.

    Science.gov (United States)

    Killgore, Jason P; Tung, Ryan C; Hurley, Donna C

    2014-08-29

    Combining heated-tip atomic force microscopy (HT-AFM) with quantitative methods for determining surface mechanical properties, such as contact resonance force microscopy, creates an avenue for nanoscale thermomechanical property characterization. For nanomechanical methods that employ an atomic force microscope cantilever's vibrational modes, it is essential to understand how the vibrations of the U-shaped HT-AFM cantilever differ from those of a more traditional rectangular lever, for which analytical techniques are better developed. Here we show, with a combination of finite element analysis (FEA) and experiments, that the HT-AFM cantilever exhibits many more readily-excited vibrational modes over typical AFM frequencies compared to a rectangular cantilever. The arms of U-shaped HT-AFM cantilevers exhibit two distinct forms of flexural vibrations that differ depending on whether the two arms are vibrating in-phase or out-of-phase with one another. The in-phase vibrations are qualitatively similar to flexural vibrations in rectangular cantilevers and generally show larger sensitivity to surface stiffness changes than the out-of-phase vibrations. Vibration types can be identified from their frequency and by considering vibration amplitudes in the horizontal and vertical channels of the AFM at different laser spot positions on the cantilever. For identifying contact resonance vibrational modes, we also consider the sensitivity of the resonant frequencies to a change in applied force and hence to tip-sample contact stiffness. Finally, we assess how existing analytical models can be used to accurately predict contact stiffness from contact-resonance HT-AFM results. A simple two-parameter Euler-Bernoulli beam model provided good agreement with FEA for in-phase modes up to a contact stiffness 500 times the cantilever spring constant. By providing insight into cantilever vibrations and exploring the potential of current analysis techniques, our results lay the groundwork

  8. Vertical Random Vibration Analysis of Track-Subgrade Coupled System in High Speed Railway with Pseudoexcitation Method

    Directory of Open Access Journals (Sweden)

    Xinwen Yang

    2016-01-01

    Full Text Available In order to reduce the ground-borne vibration caused by wheel/rail interaction in the ballastless track of high speed railways, viscoelastic asphalt concrete materials are filled between the track and the subgrade to attenuate wheel/rail force. A high speed train-track-subgrade vertical coupled dynamic model is developed in the frequency domain. In this model, coupling effects between the vehicle and the track and between the track and the subgrade are considered. The full vehicle is represented by some rigid body models of one body, two bogies, and four wheelsets connected to each other with springs and dampers. The track and subgrade system is considered as a multilayer beam model in which layers are connected to each other with springs and damping elements. The vertical receptance of the rail is discussed and the receptance contribution of the wheel/rail interaction is investigated. Combined with the pseudoexcitation method, a solution of the random dynamic response is presented. The random vibration responses and transfer characteristics of the ballastless track and subgrade system are obtained under track random irregularity when a high speed vehicle runs through. The influences of asphalt concrete layer’s stiffness and vehicle speed on track and subgrade coupling vibration are analyzed.

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

    Science.gov (United States)

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

    2017-03-01

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

  10. Optimization of hoisting parameters in a multi-rope friction mine hoist based on the multi-source coupled vibration characteristics of hoisting catenaries

    National Research Council Canada - National Science Library

    Yao, Jiannan; Deng, Yong; Xiao, Xingming

    2017-01-01

    To avoid catenary collision in a multi-rope friction mine hoist, in this study, the relevant hoisting parameters based on the multi-source coupled vibration characteristics of hoisting catenaries are optimized...

  11. Low-frequency, broadband vibration energy harvester using coupled oscillators and frequency up-conversion by mechanical stoppers

    Science.gov (United States)

    Dechant, Eduard; Fedulov, Feodor; Chashin, Dmitrii V.; Fetisov, Leonid Y.; Fetisov, Yuri K.; Shamonin, Mikhail

    2017-06-01

    The frequencies of ambient vibrations are often low (below 30 Hz). A broadband (3 dB bandwidth is larger than 10 Hz at an acceleration amplitude of 9.81 m s-2) vibration based energy harvester is proposed for transducing mechanical energy at such low frequencies into electrical energy. The mechanical setup converts low frequency mechanical vibrations into high frequency resonance oscillations of the transducer. This conversion is done by mechanical impacts on two mechanical stoppers. The originality of the presented design is that both low-frequency and high-frequency oscillators are permanently mechanically coupled. In the equivalent mechanical circuit, this coupling is achieved by connecting the ends of the stiff spring to both seismic masses, whereas one seismic mass (collison member) is also attached to the soft spring used as the constitutive element of a low-frequency oscillator. Further, both mechanical oscillators are not realized as conventional cantilever beams. In particular, the high frequency oscillator with the natural frequency of 340 Hz is a disc-shaped diaphragm with attached piezoelectric elements and a seismic mass. It is shown that it is possible to convert mechanical vibrations with acceleration amplitude of 9.81 m s-2 in the region between approximately 7 and 25 Hz into electrical power larger than 0.1 mW with the maximum value of 0.8 mW. A simplified mathematical model based on piecewise linear coupled oscillators shows good agreement with experimental results. The ways to enhance the performance of the harvester and improve agreement with experiments are discussed.

  12. Mechanisms of molecular electronic rectification through electronic levels with strong vibrational coupling

    DEFF Research Database (Denmark)

    Kuznetsov, A.M.; Ulstrup, Jens

    2002-01-01

    , corresponding to the fully diabatic limit. The rectification process then reduces to a sequence of vibrationally relaxed single-electron transfer steps. In the limits where the interactions are strong, denoted as the partially and fully adiabatic limits, the character of the rectification process is different......, and electron flow proceeds coherently, without vibrational relaxation. In still another class of mechanisms the electronic level broadening of either donor or acceptor from the adjacent electrode is so strong that it is comparable to the vibrational broadening. The process then reduces to a three...

  13. Control of Rotor-Blade Coupled Vibrations Using Shaft-Based Actuation

    DEFF Research Database (Denmark)

    Christensen, Rene H.; Santos, Ilmar

    2006-01-01

    When implementing active control into bladed rotating machines aiming at reducing blade vibrations, it can be shown that blade as well as rotor vibrations can in fact be controlled by the use of only shaft-based actuation. Thus the blades have to be deliberately mistuned. This paper investigates...... of modal controllability and observability converge toward steady levels as the degree of mistuning is increased. Finally, experimental control results are presented to prove the theoretical conclusions and to show the feasibility of controlling rotor and blade vibrations by means of shaft-based actuation...

  14. Methane dissociation process in inductively coupled Ar/H2/CH4 plasma for graphene nano-flakes production

    Science.gov (United States)

    Mohanta, Antaryami; Lanfant, Briac; Asfaha, Mehari; Leparoux, Marc

    2017-02-01

    The role of hydrogen and methane dissociation process in induction plasma synthesis of graphene nano-flakes (GNF) is studied by the optical emission spectroscopy of Ar/H2/CH4 plasma. The condensation of C2 species formed due to methane decomposition produces GNF, which depends on pressure. Electron impact and dehydrogenation processes dissociate methane, which promotes and hinders the GNF production, respectively. The effect of hydrogen is insignificant on quality, size and morphology of the GNF. The CH4 flow rate has no influence on particle temperature but has effect on cooling rate at the point of nucleation and, therefore, on production rate and thickness of GNF.

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

    Energy Technology Data Exchange (ETDEWEB)

    Slenkamp, Karla M.; Lynch, Michael S.; Van Kuiken, Benjamin E.; Brookes, Jennifer F.; Bannan, Caitlin C.; Daifuku, Stephanie L.; Khalil, Munira, E-mail: mkhalil@chem.washington.edu [Department of Chemistry, University of Washington, Box 351700, Seattle, Washington 98195 (United States)

    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 spectra 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.

  16. Observation of two coupled Faraday waves in a vertically vibrating Hele-Shaw cell with one of them oscillating horizontally

    CERN Document Server

    Li, Xiaochen; Liao, Shijun

    2016-01-01

    A system of two-dimensional, two coupled Faraday interfacial waves is experimentally observed at the two interfaces of the three layers of fluids (air, pure ethanol and silicon oil) in a sealed Hele-Shaw cell with periodic vertical vibration. The upper and lower Faraday waves coexist: the upper vibrates vertically, but the crests of the lower one oscillate horizontally with unchanged wave height and a frequency equal to the half of the forcing one of the vertically vibrating basin, while the troughs of the lower one always stay in the same place (relative to the basin). Besides, they are strongly coupled: the wave height of the lower Faraday wave is either a linear function (in the case of a fixed forcing frequency) or a parabolic function (in the case of a fixed acceleration amplitude) of that of the upper, with the same wave length. In addition, the upper Faraday wave temporarily loses its smoothness at around $t=T/4$ and $t=3T/4$, where $T$ denotes the wave period, and thus has fundamental difference from ...

  17. Methodology for Analysing Controllability and Observability of Bladed Disc Coupled Vibrations

    DEFF Research Database (Denmark)

    Christensen, Rene Hardam; Santos, Ilmar

    2004-01-01

    and observability of bladed discs. The aim is to determine where to locate actuators and sensors in order to be capable of controlling and monitoring both disc lateral and blade vibrations. The analysis methodology is based on the time-variant modal analysis. A numerical example of the methodogy is provided....... A tuned rotating bladed disc is analysed. The analysis shows that blade actuators and sensors are inevitable in order to control and monitor the vibrations. Moreover, it shows that the controllability and observability depends very strongly on the rotational speed.......Many bladed rotating machines such as helicopters, turbines and compressors are susceptible to blade faults due to vibration problems. Typically, blade vibrations in this kind of machines are suppressed by using passive mechanical components. However, when passive control techniques...

  18. Coupling system dynamics and contact behaviour: Modelling bearings subjected to environmental induced vibrations and ‘false brinelling’ degradation

    Science.gov (United States)

    Massi, Francesco; Rocchi, J.; Culla, A.; Berthier, Y.

    2010-05-01

    During the last decades the increase in power of mechanical systems and the demand for increasing service life leads mechanical components of a system to work in extreme conditions. Moreover, actual mechanical systems include surfaces in sliding contact that are subjected to wear if exposed to high vibration. In fact, the vibration of components in contact results in large oscillations of the local contact stresses, due to the local deformation of the components at the contact interfaces. To approach correctly tribological problems, the coupling between the scale of the mechanism (system dynamics) and the scale of the contact needs to be accounted for. This paper presents an analysis concerning the influence of the vibrations induced by aircraft engines on the contact stresses of rolling bearings of the bleed system valves. To study the wear, resulting from false brinelling at the contact surfaces between balls and races of the bearings, it is then necessary to determine the forces due to the system vibrations and acting at the bearing connections with the structure. In order to perform a numerical transient analysis of the system dynamics a nonlinear simplified model of the valve (mechanism scale) is developed. The model is validated by comparing the numerical results with experimental tests. The time behaviour of the global forces on the bearings, and the respective displacements between the contact surfaces, are then used as inputs for a finite element model of the bearings (contact scale). The model is used to calculate and analyze the behaviour in time of the local contact constraints between race and balls. This analysis, developed in the framework of a European project, is an example of the proposed general approach to contact problems, by coupling the analysis of the mechanism and contact scales.

  19. Influences of quantum mechanically mixed electronic and vibrational pigment states in 2D electronic spectra of photosynthetic systems: Strong electronic coupling cases

    CERN Document Server

    Fujihashi, Yuta; Ishizaki, Akihito

    2015-01-01

    In 2D electronic spectroscopy studies, long-lived quantum beats have recently been observed in photosynthetic systems, and it has been 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 vibrational modes in the resonant condition [J. Chem. Phys. 142, 212403 (2015)]. 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. However, this conclusion cannot be generalized because the magnitude of the coupling inducing the quantum mixtures is proportional to the inter-pigment coupling. In this study, we explore the impact of the fluctuations on electronic-vibrational quantum mixtures in a strongl...

  20. Dissociative recombination of HCl+

    Science.gov (United States)

    Larson, Åsa; Fonseca dos Santos, Samantha; E. Orel, Ann

    2017-08-01

    The dissociative recombination of HCl+, including both the direct and indirect mechanisms, is studied. For the direct process, the relevant electronic states are calculated ab initio by combining electron scattering calculations to obtain resonance positions and autoionization widths with multi-reference configuration interaction calculations of the ion and Rydberg states. The cross section for the direct dissociation along electronic resonant states is computed by solution of the time-dependent Schrödinger equation. For the indirect process, an upper bound value for the cross section is obtained using a vibrational frame transformation of the elements of the scattering matrix at energies just above the ionization threshold. Vibrational excitations of the ionic core from the ground vibrational state, v = 0 , to the first three excited vibrational states, v = 1 , v = 2 , and v = 3 , are considered. Autoionization is neglected and the effect of the spin-orbit splitting of the ionic potential energy upon the indirect dissociative recombination cross section is considered. The calculated cross sections are compared to measurements.

  1. Coupled thermal, structural and vibrational analysis of a hypersonic engine for flight test

    Energy Technology Data Exchange (ETDEWEB)

    Sook-Ying, Ho [Defence Science and Technology Organisation, SA (Australia); Paull, A. [Queensland Univ., Dept. of Mechanical Engineering (Australia)

    2006-07-15

    This paper describes a relatively simple and quick method for implementing aerodynamic heating models into a finite element code for non-linear transient thermal-structural and thermal-structural-vibrational analyses of a Mach 10 generic HyShot scram-jet engine. The thermal-structural-vibrational response of the engine was studied for the descent trajectory from 60 to 26 km. Aerodynamic heating fluxes, as a function of spatial position and time for varying trajectory points, were implemented in the transient heat analysis. Additionally, the combined effect of varying dynamic pressure and thermal loads with altitude was considered. This aero-thermal-structural analysis capability was used to assess the temperature distribution, engine geometry distortion and yielding of the structural material due to aerodynamic heating during the descent trajectory, and for optimising the wall thickness, nose radius of leading edge, etc. of the engine intake. A structural vibration analysis was also performed following the aero-thermal-structural analysis to determine the changes in natural frequencies of the structural vibration modes that occur at the various temperatures associated with the descent trajectory. This analysis provides a unique and relatively simple design strategy for predicting and mitigating the thermal-structural-vibrational response of hypersonic engines. (authors)

  2. Study of coupling between bending and torsional vibration of cracked rotor system supported by radial active magnetic bearings

    Directory of Open Access Journals (Sweden)

    Ferfecki P.

    2007-11-01

    Full Text Available The coupling of bending and torsional vibration due to the presence of transverse fatigue crack in a rotor system supported by radial active magnetic bearings (AMB is investigated. For this purpose the modified stiffness matrix with six degrees of freedom per node is used and takes into account all the coupling phenomena that exists in a cracked rotor. The partial opening and closing of crack is considered by means of status of stress intensity factor along the crack edge. The equation of motion of rotor system is nonlinear due to response dependent non-linear breathing crack model and nonlinear force coupling introduced by AMB. A response of the rotor system is obtained by direct integration of nonlinear equation of motion. When the torsional harmonic excitation is applied to the rotor system with the crack then the sum and difference of torsional frequency around a bending natural frequency is observed in the lateral vibration spectrum. Influence of different values of crack parametersfor two different speeds of rotor is investigated with help of frequency spectra.

  3. Visible Multiphoton Dissociation of Chromophore-Tagged Peptides

    Science.gov (United States)

    Bouakil, Mathilde; Kulesza, Alexander; Daly, Steven; MacAleese, Luke; Antoine, Rodolphe; Dugourd, Philippe

    2017-10-01

    The visible photodissociation mechanisms of QSY7-tagged peptides of increasing size have been investigated by coupling a mass spectrometer and an optical parametric oscillator laser beam. The experiments herein consist of energy resolved collision- and laser-induced dissociation measurements on the chromophore-tagged peptides. The results show that fragmentation occurs by similar channels in both activation methods, but that the branching ratios are vastly different. Observation of a size-dependent minimum laser pulse energy required to induce fragmentation, and collisional cooling rates in time resolved experiments show that laser-induced dissociation occurs through the absorption of multiple photons by the chromophore and the subsequent heating through vibrational energy redistribution. The differences in branching ratio between collision- and laser-induced dissociation can then be understood by the highly anisotropic energy distribution following absorption of a photon. [Figure not available: see fulltext.

  4. Coupled Boundary and Finite Element Analysis of Vibration from Railway Tunnels

    DEFF Research Database (Denmark)

    Andersen, Lars; Jones, C. J. C.

    2004-01-01

    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 around cities. Such analysis can be carried out using numerical methods but models and therefore...... 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...

  5. Dissociative Disorders

    Science.gov (United States)

    ... actions and identity. People with dissociative disorders escape reality in ways that are involuntary and unhealthy and ... conditions. Complications People with dissociative disorders are at increased risk of complications and associated disorders, such as: ...

  6. Using Fixed-Node Diffusion Monte Carlo to Probe Rotation-Vibration Coupling in Highly Fluxional Asymmetric Top Molecules

    Science.gov (United States)

    Petit, Andrew S.; Wellen, Bethany A.; McCoy, Anne B.

    2012-06-01

    Our group has developed a fixed-node Diffusion Monte Carlo (DMC) methodology that can be used to describe rotationally excited states of highly fluxional symmetric top molecules. This technique has been thoroughly benchmarked using rotationally excited states of H_3^+, H_3O^+, and NH_3 with J≤12. Here, we report a recently developed extension of this methodology to asymmetric top molecules which undergo large amplitude, zero-point vibrational motion. The nodal surfaces used in the fixed-node DMC calculations are obtained from rigid-rotor wave functions calculated using the system's ground state vibrationally averaged rotational constants. The algorithms used to evaluate node crossing and re-crossing are generalized to account for the pronounced curvature exhibited by the nodal surfaces of asymmetric top molecules with κ ≈ 0 due to the strong mixing of two or more symmetric top basis functions. Finally, the insight that can be obtained from these calculations into the nature and strength of the vibration-rotation coupling present in highly fluxional asymmetric top molecules will be briefly discussed and further elaborated on in the following talk. A. S. Petit and A. B. McCoy, J. Phys. Chem. A 113, 12706 (2009). A. S. Petit, B. A. Wellen, and A. B. McCoy, J. Chem. Phys. 136, 074101 (2012).

  7. Analysis of bifurcation behavior of a piecewise linear vibrator with electromagnetic coupling for energy harvesting applications

    KAUST Repository

    El Aroudi, Abdelali

    2014-05-01

    Recently, nonlinearities have been shown to play an important role in increasing the extracted energy of vibration-based energy harvesting systems. In this paper, we study the dynamical behavior of a piecewise linear (PWL) spring-mass-damper system for vibration-based energy harvesting applications. First, we present a continuous time single degree of freedom PWL dynamical model of the system. Different configurations of the PWL model and their corresponding state-space regions are derived. Then, from this PWL model, extensive numerical simulations are carried out by computing time-domain waveforms, state-space trajectories and frequency responses under a deterministic harmonic excitation for different sets of system parameter values. Stability analysis is performed using Floquet theory combined with Filippov method, Poincaré map modeling and finite difference method (FDM). The Floquet multipliers are calculated using these three approaches and a good concordance is obtained among them. The performance of the system in terms of the harvested energy is studied by considering both purely harmonic excitation and a noisy vibrational source. A frequency-domain analysis shows that the harvested energy could be larger at low frequencies as compared to an equivalent linear system, in particular, for relatively low excitation intensities. This could be an advantage for potential use of this system in low frequency ambient vibrational-based energy harvesting applications. © 2014 World Scientific Publishing Company.

  8. Charge transport in DNA model with vibrational and rotational coupling motions

    National Research Council Canada - National Science Library

    Ngoubi, H; Ben-Bolie, G H; Kofané, T C

    2017-01-01

    The dynamics of the Peyrard-Bishop model for vibrational motion of DNA dynamics, which has been extended by taking into account the rotational motion for the nucleotides (Silva et al., J. Biol. Phys. 34, 511–519, 2018) is studied...

  9. Antidisturbance Vibration Suppression of the Aerial Refueling Hose during the Coupling Process

    Directory of Open Access Journals (Sweden)

    Zikang Su

    2017-01-01

    Full Text Available In autonomous aerial refueling (AAR, the vibration of the flexible refueling hose caused by the receiver aircraft’s excessive closure speed should be suppressed once it appears. This paper proposed an active control strategy based on the permanent magnet synchronous motor (PMSM angular control for the timely and accurate vibration suppression of the flexible refueling hose. A nonsingular fast terminal sliding-mode (NFTSM control scheme with adaptive extended state observer (AESO is proposed for PMSM take-up system under multiple disturbances. The states and the “total disturbance” of the PMSM system are firstly reconstituted using the AESO under the uncertainties and measurement noise. Then, a faster sliding variable with tracking error exponential term is proposed together with a special designed reaching law to enhance the global convergence speed and precision of the controller. The proposed control scheme provides a more comprehensive solution to rapidly suppress the flexible refueling hose vibration in AAR. Compared to other methods, the scheme can suppress the flexible hose vibration more fleetly and accurately even when the system is exposed to multiple disturbances and measurement noise. Simulation results show that the proposed scheme is competitive in accuracy, global rapidity, and robustness.

  10. Coupled Boundary and Finite Element Analysis of Vibration from Railway Tunnels

    DEFF Research Database (Denmark)

    Andersen, Lars; Jones, C.J.C.

    2006-01-01

    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 around cities. Such analysis can be carried out using numerical methods but models and therefore comput...

  11. Balancing Vibrations at Harmonic Frequencies by Injecting Harmonic Balancing Signals into the Armature of a Linear Motor/Alternator Coupled to a Stirling Machine

    Science.gov (United States)

    Holliday, Ezekiel S. (Inventor)

    2014-01-01

    Vibrations at harmonic frequencies are reduced by injecting harmonic balancing signals into the armature of a linear motor/alternator coupled to a Stirling machine. The vibrations are sensed to provide a signal representing the mechanical vibrations. A harmonic balancing signal is generated for selected harmonics of the operating frequency by processing the sensed vibration signal with adaptive filter algorithms of adaptive filters for each harmonic. Reference inputs for each harmonic are applied to the adaptive filter algorithms at the frequency of the selected harmonic. The harmonic balancing signals for all of the harmonics are summed with a principal control signal. The harmonic balancing signals modify the principal electrical drive voltage and drive the motor/alternator with a drive voltage component in opposition to the vibration at each harmonic.

  12. Numerical simulation of an elementary Vortex-Induced-Vibration problem by using fully-coupled fluid solid system computation

    Directory of Open Access Journals (Sweden)

    M Pomarède

    2016-09-01

    Full Text Available Numerical simulation of Vortex-Induced-Vibrations (VIV of a rigid circular elastically-mounted cylinder submitted to a fluid cross-flow has been extensively studied over the past decades, both experimentally and numerically, because of its theoretical and practical interest for understanding Flow-Induced-Vibrations (FIV problems. In this context, the present article aims to expose a numerical study based on fully-coupled fluid-solid computations compared to previously published work [34], [36]. The computational procedure relies on a partitioned method ensuring the coupling between fluid and structure solvers. The fluid solver involves a moving mesh formulation for simulation of the fluid structure interface motion. Energy exchanges between fluid and solid models are ensured through convenient numerical schemes. The present study is devoted to a low Reynolds number configuration. Cylinder motion magnitude, hydrodynamic forces, oscillation frequency and fluid vortex shedding modes are investigated and the “lock-in” phenomenon is reproduced numerically. These numerical results are proposed for code validation purposes before investigating larger industrial applications such as configurations involving tube arrays under cross-flows [4].

  13. Synchronization of two homodromy rotors installed on a double vibro-body in a coupling vibration system.

    Directory of Open Access Journals (Sweden)

    Pan Fang

    Full Text Available A new mechanism is proposed to implement synchronization of the two unbalanced rotors in a vibration system, which consists of a double vibro-body, two induction motors and spring foundations. The coupling relationship between the vibro-bodies is ascertained with the Laplace transformation method for the dynamics equation of the system obtained with the Lagrange's equation. An analytical approach, the average method of modified small parameters, is employed to study the synchronization characteristics between the two unbalanced rotors, which is converted into that of existence and the stability of zero solutions for the non-dimensional differential equations of the angular velocity disturbance parameters. By assuming the disturbance parameters that infinitely approach to zero, the synchronization condition for the two rotors is obtained. It indicated that the absolute value of the residual torque between the two motors should be equal to or less than the maximum of their coupling torques. Meanwhile, the stability criterion of synchronization is derived with the Routh-Hurwitz method, and the region of the stable phase difference is confirmed. At last, computer simulations are preformed to verify the correctness of the approximate solution of the theoretical computation for the stable phase difference between the two unbalanced rotors, and the results of theoretical computation is in accordance with that of computer simulations. To sum up, only the parameters of the vibration system satisfy the synchronization condition and the stability criterion of the synchronization, the two unbalanced rotors can implement the synchronization operation.

  14. Interplay of Exciton Coupling and Large-Amplitude Motions in the Vibrational Circular Dichroism Spectrum of Dehydroquinidine.

    Science.gov (United States)

    Nicu, Valentin P; Domingos, Sérgio R; Strudwick, Benjamin H; Brouwer, Albert M; Buma, Wybren J

    2016-01-11

    A detailed analysis of the computed structure, energies, vibrational absorption (VA) and circular dichroism (VCD) spectra of 30 low-energy conformers of dehydroquinidine reveals the existence of families of pseudo-conformers, the structures of which differ mostly in the orientation of a single O-H bond. The pseudo-conformers in a family are separated by very small energy barriers (i.e., 1.0 kcal mol(-1) or smaller) and have very different VCD spectra. First, we demonstrate the unreliable character of the Boltzmann factors predicted with DFT. Then, we show that the large differences observed between the VCD spectra of the pseudo-conformers in a family are caused by large-amplitude motions involving the O-H bond, which trigger the appearance/disappearance of strong VCD exciton-coupling bands in the fingerprint region. This interplay between exciton coupling and large-amplitude-motion phenomena demonstrates that when dealing with flexible molecules with polar bonds, vibrational averaging of VCD spectra should not be neglected. In this regard, the dehydroquinidine molecule considered here is expected to be a typical example and not the exception to the rule. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Structural vibration and acoustic radiation of coupled propeller-shafting and submarine hull system due to propeller forces

    Science.gov (United States)

    Qu, Yegao; Su, Jinpeng; Hua, Hongxing; Meng, Guang

    2017-08-01

    This paper investigates the structural and acoustic responses of a coupled propeller-shafting and submarine pressure hull system under different propeller force excitations. The entire system, which consists of a rigid propeller, a main shaft, two bearings and an orthogonally stiffened pressure hull, is submerged in a heavy fluid. The shaft is elastically connected to the pressure hull by a radial bearing and a thrust bearing. The theoretical model of the structural system is formulated based on a modified variational method, in which the propeller, the main shaft and the bearings are treated as a lumped mass, an elastic beam and spatially distributed spring-damper systems, respectively. The rings and stringers in the pressure hull are modeled as discrete structural elements. The acoustic field generated by the hull is calculated using a spectral Kirchhoff-Helmholtz integral formulation. A strongly coupled structure-acoustic interaction analysis is employed to achieve reasonable solutions for the coupled system. The displacement of the pressure hull and the sound pressure of the fluid are expanded in the form of a double mixed series using Fourier series and Chebyshev orthogonal polynomials, providing a flexible way for the present method to account for the individual contributions of circumferential wave modes to the vibration and acoustic responses of the pressure hull in an analytical manner. The contributions of different circumferential wave modes of the pressure hull to the structural and acoustic responses of the coupled system under axial, transversal and vertical propeller forces are investigated. Computed results are compared with those solutions obtained from the coupled finite element/boundary element method. Effects of the ring and the bearing stiffness on the acoustic responses of the coupled system are discussed.

  16. Energy flow analysis of out-of-plane vibration in coplanar coupled finite Mindlin plates

    Directory of Open Access Journals (Sweden)

    Young-Ho Park

    2015-01-01

    Full Text Available : In this paper, an Energy Flow Analysis (EFA for coplanar coupled Mindlin plates was performed to estimate their dynamic responses at high frequencies. Mindlin plate theory can consider the effects of shear distortion and rotatory inertia, which are very important at high frequencies. For EFA for coplanar coupled Mindlin plates, the wave transmission and reflection relationship for progressing out-of-plane waves (out-of-plane shear wave, bending dominant flexural wave, and shear dominant flexural wave in coplanar coupled Mindlin plates was newly derived. To verify the validity of the EFA results, numerical analyses were performed for various cases where coplanar coupled Mindlin plates are excited by a harmonic point force, and the energy flow solutions for coplanar coupled Mindlin plates were compared with the classical solutions in the various conditions.

  17. [Determination of total cyanides and sulfides in wastewater using ion chromatography coupled with ultraviolet photo-dissociation/gas-membrane diffusion].

    Science.gov (United States)

    Lu, Keping

    2015-03-01

    An automated system for the determination of total cyanides and sulfides in wastewater has been developed using flow injection, ultraviolet (UV) photo-dissociation, gas-membrane diffusion, column trapping, ion chromatography separation and pulsed amperometric detection. When the sample was mixed with sulfuric acid and hypophosphorous acid medium containing the appropriate amount of sulfamic acid, ascorbic acid, EDTA and citric acid, metal-cyanide complexes such as Fe (CN)3-(6) can be photo-dissociated by 312 nm UV light, which results in hydrogen cyanide ( HCN) and similarly, sulfides release hydrogen sulfide (H2S). These products were diffused through a 0.45 µm hydrophobic porous polypropylene membrane and were then absorbed in the dilute NaOH solution, concentrated with a Metrosep A PCC 1 HC/4.0 column, separated on an IonPac AS7 column, and finally detected by the pulsed amperometric detector with Ag electrode. The total cyanides and sulfides were good linear in the range of 0.5-1,000 µg/L with correlation coefficients of 0.998 9 and 0.999 7 respectively. The recoveries were 93%-102% and the limits of detection were 0.5 µg/L for total cyanides and 1.0 µg/L for sulfides under the conditions of the sample volume of 100 µL and the signal to noise ratio of 5. The sample throughput of the system was six samples per hour. The results from this new method have been compared with the ones obtained with the standard method, which shows a good agreement.

  18. Comment on ``The enthalpy of the O H homolytic dissociation: Basis-set extrapolated density functional theory and coupled cluster calculations'' by B.J. Costa Cabral and S. Canuto [Chem. Phys. Lett. 406 (2005) 300 305

    Science.gov (United States)

    DiLabio, Gino A.; Mulder, Peter

    2006-01-01

    Costa Cabral and Canuto [B.J. Costa Cabral, S. Canuto, Chem. Phys. Lett. 406 (2005) 300] have studied the O-H bond dissociation enthalpy in water, hydrogen peroxide, methanol, phenol and catechol using a number of theoretical methods. Their choice of experimental O-H bond dissociation enthalpies for phenol and catechol are not the best available values and led them to several erroneous conclusions about the performance of methodologies they tested. In this work, we present more rigorous experimental O-H bond dissociation enthalpies for phenol and catechol and discuss the implications these data have on the conclusions presented by Costa Cabral and Canuto. We also demonstrate the importance of the inclusion of higher-order excitations in the coupled-cluster treatment of bond dissociation enthalpy of the O-H bond in H 2O 2 and HOO rad .

  19. Coupled vibrations of a structure and fluid excited by pressure shocks. [BWR

    Energy Technology Data Exchange (ETDEWEB)

    Arros, J.

    1979-12-01

    The dynamic behavior of an axisymmetric boiling water reactor suppression pool structure and the embedded water under the excitation of the pressure waves from collapsing steam bubbles was studied with a finite element model. The structure was analyzed with thin shell elements. The fluid volume is divided into isoparametric quadrilateral toroidal elements with pressure as the nodal parameter. A water source element was utilized to model the pressure shock excitation. Nonaxisymmetric pressure loads and vibration modes were expressed as a Fourier series in the circumferential coordinate. The system of equations for the structure and fluid was integrated in time using the central difference scheme.

  20. Coupled transverse and torsional vibrations in a mechanical system with two identical beams

    Science.gov (United States)

    Vlase, S.; Marin, M.; Scutaru, M. L.; Munteanu, R.

    2017-06-01

    The paper aims to study a plane system with bars, with certain symmetries. Such problems can be encountered frequently in industry and civil engineering. Considerations related to the economy of the design process, constructive simplicity, cost and logistics make the use of identical parts a frequent procedure. The paper aims to determine the properties of the eigenvalues and eigenmodes for transverse and torsional vibrations of a mechanical system where two of the three component bars are identical. The determination of these properties allows the calculus effort and the computation time and thus increases the accuracy of the results in such matters.

  1. Nonequilibrium electron-vibration coupling and conductance fluctuations in a C60 junction

    DEFF Research Database (Denmark)

    Ulstrup, Søren; Frederiksen, Thomas; Brandbyge, Mads

    2012-01-01

    We investigate chemical bond formation and conductance in a molecular C60 junction under finite bias voltage using first-principles calculations based on density functional theory and nonequilibrium Green's functions (DFT-NEGF). At the point of contact formation we identify a remarkably strong...... displacement. Combined with a vibrational heating mechanism we construct a model from our results that explain the polarity-dependent two-level conductance fluctuations observed in recent scanning tunneling microscopy (STM) experiments [N. Ne´el et al., Nano Lett. 11, 3593 (2011)]. These findings highlight...

  2. Coupled transverse and torsional vibrations in a mechanical system with two identical beams

    Directory of Open Access Journals (Sweden)

    S. Vlase

    2017-06-01

    Full Text Available The paper aims to study a plane system with bars, with certain symmetries. Such problems can be encountered frequently in industry and civil engineering. Considerations related to the economy of the design process, constructive simplicity, cost and logistics make the use of identical parts a frequent procedure. The paper aims to determine the properties of the eigenvalues and eigenmodes for transverse and torsional vibrations of a mechanical system where two of the three component bars are identical. The determination of these properties allows the calculus effort and the computation time and thus increases the accuracy of the results in such matters.

  3. A microscopic approach based on particle-vibration coupling: application to charge-exchange transitions and multiplets in odd nuclei

    Directory of Open Access Journals (Sweden)

    Colò Gianluca

    2016-01-01

    Full Text Available In this contribution, we shall describe a formalism that goes beyond the simple time-dependent mean field and is based on particle-vibration coupling (PVC. Such a formalism has been developed with the idea of being self-consistent. It makes use of Skyrme effective forces, and has been used for several applications. We will focus on charge-exchange transitions, namely we will show that our model describes well both the Gamow-Teller giant resonance width, and the low-lying transitions associated with β-decay. In this latter case, including PVC produces a significant improvement of the half-lives obtained at mean-field level, and leads to a good agreement with experimental data. We will end by discussing particle-phonon multiplets in odd nuclei.

  4. Effect of vibrating electrode on temperature profiles, fluid flow, and pool shape in ESR system based on a comprehensive coupled model

    Directory of Open Access Journals (Sweden)

    Fang Wang

    2015-07-01

    Full Text Available The vibrating electrode method was proposed in the electro-slag remelting (ESR process in this paper, and the effect of vibrating electrode on the solidification structure of ingot was studied. A transient three-dimensional (3D coupled mathematical model was established to simulate the electromagnetic phenomenon, fluid flow as well as pool shape in the ESR process with the vibrating electrode. The finite element volume method is developed to solve the electromagnetic field using ANSYS mechanical APDL software. Moreover, the electromagnetic force and Joule heating are interpolated as the source term of the momentum and energy equations. The multi-physical fields have been investigated and compared between the traditional electrode and the vibrating electrode in the ESR process. The results show that the drop process of metal droplets with the traditional electrode is scattered randomly. However, the drop process of metal droplets with the vibrating electrode is periodic. The highest temperature of slag layer with the vibrating electrode is higher than that with the traditional electrode, which can increase the melting rate due to the enhanced heat transfer in the vicinity of the electrode tip. The results also show that when the amplitude and frequency of the vibrating electrode increase, the cycle of drop process of metal droplets decreases significantly.

  5. Stark-induced adiabatic Raman ladder for preparing highly vibrationally excited quantum states of molecular hydrogen

    Science.gov (United States)

    Mukherjee, Nandini; Perreault, William E.; Zare, Richard N.

    2017-07-01

    We present a multi-color ladder excitation scheme that exploits Stark-induced adiabatic Raman passage to selectively populate a highly excited vibrational level of a molecule. We suggest that this multi-color coherent ladder excitation provides a practical way of accessing levels near the vibrational dissociation limit as well as the dissociative continuum, which would allow the generation of an entangled pair of fragments with near-zero relative kinetic energy. Specifically, we consider four- and six-photon coherent excitation of molecular hydrogen to high vibrational levels via intermediate vibrational levels, which are pairwise coupled by two-photon resonant interaction. Using a sequence of three partially overlapping, single-mode, nanosecond laser pulses we show that the sixth vibrational level of H2, which is too weakly coupled to be easily accessed by direct two-photon Raman excitation from the ground vibrational level, can be efficiently populated without leaving any population stranded in the intermediate level. Furthermore, we show that the fourteenth vibrational level of H2, which is the highest vibrational level in the ground electronic state with a binding energy of 22 meV, can be efficiently and selectively populated using a sequence of four pulses. The present technique offers the unique possibility of preparing entangled quantum states of H atoms without resorting to an ultracold system.

  6. Analytic potentials and vibrational energies for Li$_{2}$ states dissociating to $\\mbox{Li}\\left(2S\\right)+\\mbox{Li}\\left(3P\\right)$. Part 1: The $^{2S+1}\\Pi_{u/g}$ states

    OpenAIRE

    Nikesh S. Dattani

    2015-01-01

    Analytic potentials are built for all four $^{2S+1}\\Pi_{u/g}$ states of Li$_{2}$ dissociating to Li$(2S)$ + Li$(3P)$: $3b(3^{3}\\Pi_{u})$, $3B(3^{1}\\Pi_{u})$, $3C(3^{1}\\Pi_{g}),$ and $3d(3^{3}\\Pi_{g})$. These potentials include the effect of spin-orbit coupling for large internuclear distances, and include state of the art long-range constants. This is the first successful demonstration of fully analytic diatomic potentials that capture features that are usually considered too difficult to cap...

  7. Fully-Coupled Fluid/Structure Vibration Analysis Using MSC/NASTRAN

    Science.gov (United States)

    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.

  8. Two-temperature models for nitrogen dissociation

    Science.gov (United States)

    da Silva, M. Lino; Guerra, V.; Loureiro, J.

    2007-12-01

    Accurate sets of nitrogen state-resolved dissociation rates have been reduced to two-temperature (translational T and vibrational Tv) dissociation rates. The analysis of such two-temperature dissociation rates shows evidence of two different dissociation behaviors. For Tv 0.3 T dissociation proceeds predominantly form the near-dissociative vibrational levels, with an abrupt change of behavior at Tv = 0.3 T. These two-temperature sets have then been utilized as a benchmark for the comparison against popular multitemperature dissociation models (Park, Hansen, Marrone-Treanor, Hammerling, Losev-Shatalov, Gordiets, Kuznetsov, and Macheret-Fridman). This has allowed verifying the accuracy of each theoretical model, and additionally proposing adequate values for any semi-empirical parameters present in the different theories. The Macheret-Fridman model, who acknowledges the existence of the two aforementioned dissociation regimes, has been found to provide significantly more accurate results than the other models. Although these different theoretical approaches have been tested and validated solely for nitrogen dissociation processes, it is reasonable to expect that the general conclusions of this work, regarding the adequacy of the different dissociation models, could be extended to the description of arbitrary diatomic dissociation processes.

  9. Dynamic Model and Vibration Power Flow of a Rigid-Flexible Coupling and Harmonic-Disturbance Exciting System for Flexible Robotic Manipulator with Elastic Joints

    Directory of Open Access Journals (Sweden)

    Yufei Liu

    2015-01-01

    Full Text Available This paper investigates the dynamic of a flexible robotic manipulator (FRM which consists of rigid driving base, flexible links, and flexible joints. With considering the motion fluctuations caused by the coupling effect, such as the motor parameters and mechanism inertias, as harmonic disturbances, the system investigated in this paper remains a parametrically excited system. An elastic restraint model of the FRM with elastic joints (FRMEJ is proposed, which considers the elastic properties of the connecting joints between the flexible arm and the driving base, as well as the harmonic disturbances aroused by the electromechanical coupling effect. As a consequence, the FRMEJ accordingly remains a flexible multibody system which conveys the effects of rigid-flexible couple and electromechanical couple. The Lagrangian function and Hamilton’s principle are used to establish the dynamic model of the FRMEJ. Based on the dynamic model proposed, the vibration power flow is introduced to show the vibration energy distribution. Numerical simulations are conducted to investigate the effect of the joint elasticities and the disturbance excitations, and the influences of the structure parameters and motion parameters on the vibration power flow are studied. The results obtained in this paper contribute to the structure design, motion optimization, and vibration control of FRMs.

  10. Dynamics of coupled vibration modes in a quantum non-linear mechanical resonator

    NARCIS (Netherlands)

    Labadze, G.; Dukalski, M.S.; Blanter, Y.M.

    2016-01-01

    We investigate the behaviour of two non-linearly coupled flexural modes of a doubly clamped suspended beam (nanomechanical resonator). One of the modes is externally driven. We demonstrate that classically, the behavior of the non-driven mode is reminiscent of that of a parametrically driven

  11. MP4 Study of the Anharmonic Coupling of the Shared Proton Stretching Vibration of the Protonated Water Dimer in Equilibrium and Transition States.

    Science.gov (United States)

    Pitsevich, G; Malevich, A; Kozlovskaya, E; Mahnach, E; Doroshenko, I; Pogorelov, V; Pettersson, Lars G M; Sablinskas, V; Balevicius, V

    2017-03-16

    The structure and harmonic and anharmonic IR spectra of the protonated water dimer (PWD) were calculated in C1, C2, and Cs symmetry at the MP4/acc-pVTZ level of theory. We found that structure and IR spectra are practically identical in C2 and C1 symmetry, demonstrating that an equilibrium C1 configuration of the PWD is not realized. Anharmonic coupling of the shared proton stretching vibration with all other modes in the PWD in C2 and Cs symmetry was the focus of this investigation. For this purpose, 28 two-dimensional potential energy surfaces (2D PES) were built at the MP4/acc-pVTZ level of theory and the corresponding vibrational Schrödinger equations were solved using the DVR method. Differences in the coupling of the investigated mode with other modes in the C2 and Cs configurations, along with some factors that determine the red- or blue-shift of the stretching vibration frequency, were analyzed. We obtained a rather reasonable value of the stretching frequency of the bridging proton (1058.4 cm(-1)) unperturbed by Fermi resonance. The Fermi resonance between the fundamental vibration ν7 and the combined vibration ν2 + ν6 of the same symmetry was analyzed through anharmonic second-order perturbation theory calculations, as well as by 3D PES constructed using Q2, Q6, and Q7 as normal coordinates. A significant (up to 50%) transfer of intensity from the fundamental vibration to the combined one was found. We have estimated the frequency of the bridging proton stretching vibration in the Cs configuration of the PWD based on calculations of the intrinsic anharmonicity and anharmonic double modes interactions at the MP4/acc-pVTZ level of theory (1261 cm(-1)).

  12. Strong Quantum Coupling in the Vibrational Signatures of a Symmetric Ionic Hydrogen Bond: The Case of (CH3OH)2H(.).

    Science.gov (United States)

    Tan, Jake A; Kuo, Jer-Lai

    2015-11-19

    Vibrational coupling between proton and flanking group motions in the ionic hydrogen bond (IHB) of (CH3OH)2H(+) were studied by solving reduced-dimension vibrational Schrödinger equations. Potential energy and dipole surfaces along a few key normal modes were constructed with high-level ab initio methods. It was found that the IHB stretch parallel to O-O axis strongly couples with the out-of-phase C-O stretch and out-of-phase in-plane CH3 rock with COH deformation. Such strong quantum coupling leads to a complex triplet at 850-1100 cm(-1) region. Furthermore, we have investigated the possible active role of torsional motion in intensity redistribution.

  13. Vibrational circular dichroism (VCD), VCD exciton coupling, and X-ray determination of the absolute configuration of an α,β-unsaturated germacranolide.

    Science.gov (United States)

    Sánchez-Castellanos, Mariano; Bucio, María A; Hernández-Barragán, Angelina; Joseph-Nathan, Pedro; Cuevas, Gabriel; Quijano, Leovigildo

    2015-03-01

    The absolute configuration of was deduced by vibrational circular dichroism together with the evaluation of the Flack and Hooft X-ray parameters. Vibrational circular dichroism exciton coupling, using the carbonyl group signals, confirmed the absolute configuration of . In addition, sodium borohydride reduction of the 11,13-double bond of 6-epi-desacetyllaurenobiolide () yields an almost equimolecular mixture of C11 epimers, while reduction of the same double bond of 6-epi-laurenobiolide () provided almost exclusively the (11S) diastereoisomer . © 2015 Wiley Periodicals, Inc.

  14. Coupled dynamics of vortex-induced vibration and stationary wall at low Reynolds number

    Science.gov (United States)

    Li, Zhong; Jaiman, Rajeev K.; Khoo, Boo Cheong

    2017-09-01

    The flow past an elastically mounted circular cylinder placed in proximity to a plane wall is numerically studied in both two dimensions (2D) and three dimensions (3D). This paper aims to explain the mechanism of the cylinder bottom shear layer roll-up suppression in the context of laminar vortex-induced vibration (VIV) of a cylinder placed in the vicinity of a plane stationary wall. In 2D simulations, VIV of a near-wall cylinder with structure-to-displaced fluid mass ratios of m* = 2 and 10 is investigated at the Reynolds number of Re = 100 at a representative gap ratio of e/D = 0.90, where e denotes the gap distance between the cylinder surface and the plane wall. First, the cylinder is placed at five different upstream distances, LU, to study the effects of the normalized wall boundary layer thickness, δ /D , on the hydrodynamic quantities involved in the VIV of a near-wall cylinder. It is found that the lock-in range shifts towards the direction of the higher reduced velocity Ur as δ /D increases and that the lock-in range widens as m* reduces. Second, via visualization of the vortex shedding patterns, four different modes are classified and the regime maps are provided for both m* = 2 and 10. Third, the proper orthogonal decomposition analysis is employed to assess the cylinder bottom shear layer roll-up suppression mechanism. For 3D simulations at Re = 200, the circular cylinder of a mass ratio of m* = 10 with a spanwise length of 4D is placed at a gap ratio of e/D = 0.90 and an upstream distance of LU = 10D. The 3D vortex patterns are investigated to re-affirm the vortex shedding suppression mechanism. The pressure distributions around the cylinder are identified within one oscillation cycle of VIV. The pressure and the shear stress distributions on the bottom wall are examined to demonstrate the effects of near-wall VIV on the force distributions along the plane wall. It is found that both the suction pressure and the shear stress right below the cylinder

  15. Simultaneous Quantification of Free Cholesterol, Cholesteryl Esters, and Triglycerides without Ester Hydrolysis by UHPLC Separation and In-Source Collision Induced Dissociation Coupled MS/MS

    Science.gov (United States)

    Gardner, Michael S.; McWilliams, Lisa G.; Jones, Jeffrey I.; Kuklenyik, Zsuzsanna; Pirkle, James L.; Barr, John R.

    2017-08-01

    We demonstrate the application of in-source nitrogen collision-induced dissociation (CID) that eliminates the need for ester hydrolysis before simultaneous analysis of esterified cholesterol (EC) and triglycerides (TG) along with free cholesterol (FC) from human serum, using normal phase liquid chromatography (LC) coupled to atmospheric pressure chemical ionization (APCI) tandem mass spectrometry (MS/MS). The analysis requires only 50 μL of 1:100 dilute serum with a high-throughput, precipitation/evaporation/extraction protocol in one pot. Known representative mixtures of EC and TG species were used as calibrators with stable isotope labeled analogs as internal standards. The APCI MS source was operated with nitrogen source gas. Reproducible in-source CID was achieved with the use of optimal cone voltage (declustering potential), generating FC, EC, and TG lipid class-specific precursor fragment ions for multiple reaction monitoring (MRM). Using a representative mixture of purified FC, CE, and TG species as calibrators, the method accuracy was assessed with analysis of five inter-laboratory standardization materials, showing -10% bias for Total-C and -3% for Total-TG. Repeated duplicate analysis of a quality control pool showed intra-day and inter-day variation of 5% and 5.8% for FC, 5.2% and 8.5% for Total-C, and 4.1% and 7.7% for Total-TG. The applicability of the method was demonstrated on 32 serum samples and corresponding lipoprotein sub-fractions collected from normolipidemic, hypercholesterolemic, hypertriglyceridemic, and hyperlipidemic donors. The results show that in-source CID coupled with isotope dilution UHPLC-MS/MS is a viable high precision approach for translational research studies where samples are substantially diluted or the amounts of archived samples are limited. [Figure not available: see fulltext.

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

    Science.gov (United States)

    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.

  17. Particle-vibration coupling and exchange-current effects on the magnetic electron-scattering form factor

    Energy Technology Data Exchange (ETDEWEB)

    Krewald, S.; Lallena, A.M.; Dehesa, J.S.

    1986-02-03

    Inelastic electron-scattering form factors of magnetic states in closed-shell nuclei are calculated taking into account the combined effect of the mesonic degrees of freedom and the two-particle-two-hole components of the nuclear wave functions which come from the particle-core vibration coupling. The one-body nucleon- and two-body meson-exchange current contribution to the form factor are evaluated with the same realistic mean field. Application to various high-spin magnetic states of oxygen and lead is made. The comparison with experiment shows an excellent agreement for the states 14/sup -/(6.74 MeV) and 12/sup -/sub(t)(7.06 MeV) in lead, while such is not the case for the second 12/sup -//sub 2/(6.43 MeV) state in lead and the 4/sup -/(18.98 MeV) state in oxygen essentially due to mixing configuration effects and the non-consideration of 3p3h excitations, respectively. (orig.).

  18. Vibration analysis of a rotating functionally graded tapered microbeam based on the modified couple stress theory by DQEM

    Science.gov (United States)

    Ghadiri, Majid; Shafiei, Navvab; Alireza Mousavi, S.

    2016-09-01

    Due to having difficulty in solving governing nonlinear differential equations of a non-uniform microbeam, a few numbers of authors have studied such fields. In the present study, for the first time, the size-dependent vibration behavior of a rotating functionally graded (FG) tapered microbeam based on the modified couple stress theory is investigated using differential quadrature element method (DQEM). It is assumed that physical and mechanical properties of the FG microbeam are varying along the thickness that will be defined as a power law equation. The governing equations are determined using Hamilton's principle, and DQEM is presented to obtain the results for cantilever and propped cantilever boundary conditions. The accuracy and validity of the results are shown in several numerical examples. In order to display the influence of size on the first two natural frequencies and consequently changing of some important microbeam parameters such as material length scale, rate of cross section, angular velocity and gradient index of the FG material, several diagrams and tables are represented. The results of this article can be used in designing and optimizing elastic and rotary-type micro-electro-mechanical systems like micro-motors and micro-robots including rotating parts.

  19. Tracking molecular structure deformation of nitrobenzene and its torsion-vibration coupling by intense pumping CARS

    Science.gov (United States)

    Wang, Chang; Wu, Hong-Lin; Song, Yun-Fei; He, Xing; Yang, Yan-Qiang; Tan, Duo-Wang

    2016-11-01

    The structural deformation induced by intense laser field of liquid nitrobenzene (NB) molecule, a typical molecule with restricting internal rotation, is tracked by time- and frequency-resolved coherent anti-Stokes. Raman spectroscopy (CARS) technique with an intense pump laser. The CARS spectra of liquid NB show that the NO2 torsional mode couples with the NO2 symmetric stretching mode, and the NB molecule undergoes ultrafast structural deformation with a relaxation time of 265 fs. The frequency of NO2 torsional mode in liquid NB (42 cm-1) at room temperature is found from the sum and difference combination bands involving the NO2 symmetric stretching mode and torsional mode in time- and frequency-resolved CARS spectra. Project supported by the National Natural Science Foundation of China (Grant Nos. 21173063 and 21203047), the Foundation of Heilongjiang Bayi Agricultural University, China (Grant No. XZR2014-16), NSAF (Grant No. U1330106), and the Special Research Project of National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, China Academy of Engineering Physics (Grant No. 2012-S-07).

  20. The Influence of Amplitude- and Frequency-Dependent Stiffness of Rail Pads on the Random Vibration of a Vehicle-Track Coupled System

    Directory of Open Access Journals (Sweden)

    Kai Wei

    2016-01-01

    Full Text Available The nonlinear curves between the external static loads of Thermoplastic Polyurethane Elastomer (TPE rail pads and their compressive deformations were measured. A finite element model (FEM for a rail-fastener system was produced to determine the nonlinear compressive deformations of TPE rail pads and their nonlinear static stiffness under the static vehicle weight and the preload of rail fastener. Next, the vertical vehicle-track coupled model was employed to investigate the influence of the amplitude- and frequency-dependent stiffness of TPE rail pads on the vehicle-track random vibration. It is found that the static stiffness of TPE rail pads ranges from 19.1 to 37.9 kN/mm, apparently different from the classical secant stiffness of 26.7 kN/mm. Additionally, compared with the nonlinear amplitude- and frequency-dependent stiffness of rail pads, the classical secant stiffness would not only severely underestimate the random vibration acceleration levels of wheel-track coupled system at frequencies of 65–150 Hz but also alter the dominant frequency-distribution of vehicle wheel and steel rail. Considering that these frequencies of 65–150 Hz are the dominant frequencies of ground vibration accelerations caused by low-speed railway, the nonlinear amplitude- and frequency-dependent stiffness of rail pads should be taken into account in prediction of environment vibrations due to low-speed railway.

  1. The coupling of lattice vibrations to spin dynamics and electronic properties of paramagnetic Fe and CrN revealed by first-principles methods

    Science.gov (United States)

    Alling, BjöRn

    We report the impact of lattice vibrations on magnetic and electronic properties of paramagnetic bcc and fcc iron employing the disordered local moments molecular dynamics (DLM-MD). Vibrations strongly affect the distribution of local magnetic moments and the electronic density of states in the paramagnetic regime. When the coupling between vibrations and magnetism is taken into account at the γ- δ transition temperature (1662 K), the lattice distortions cause very similar mean magnetic moments and total electronic density of states of both bcc and fcc structures. Consequently, our simulations suggest that at the γ- δ transition temperature, electronic and magnetic contributions to the Gibbs free energy are extremely similar in bcc and fcc Fe. In the next step, going beyond the approximation of magnetism as an adiabatically fast degree of freedom, we study paramagnetic CrN using a combination of atomistic spin dynamics and ab-initio molecular dynamics. We demonstrate how the relaxation time scales of the transverse spin dynamics and atomic vibrations are rather similar and study the impact of their explicit coupling on properties such as pair-correlation functions, potential energies, and trajectories.

  2. Gel performance in rheology and profile control under low-frequency vibration: coupling application of physical and chemical EOR techniques.

    Science.gov (United States)

    Zheng, Li Ming; Pu, Chun Sheng; Liu, Jing; Ma, Bo; Khan, Nasir

    2017-01-01

    Flowing gel plugging and low-frequency vibration oil extraction technology have been widely applied in low-permeability formation. High probability of overlapping in action spheres of two technologies might lead to poor operating efficiency during gel injection. Study on flowing gel rheological properties under low-frequency vibration was essential, which was carried out indoor with viscosity measurement. Potential dynamic mechanisms were analyzed for the rheological variation. Under low-frequency vibration, gel rheological properties were found to be obviously influenced, with vibration delaying gel cross-linking in induction period, causing a two-stage gel viscosity change in acceleration period, and decreasing gel strength in stable period. Surface of gel system under vibration presented different fluctuating phenomenon from initial harmonic vibrating to heterogeneous fluctuating (droplet separation might appear) to final harmonic vibrating again. Dynamic displacement in unconsolidated sand pack revealed that low-frequency vibration during gel injection might be a measure to achieve deep profile control, with the gel injection depth increased by 65.8 % compared with the vibration-free sample. At last, suggestions for field test were given in the paper to achieve lower injection friction and better gel plugging efficiency.

  3. Simplified model to describe the dissociative recombination of linear polyatomic ions of astrophysical interest

    Directory of Open Access Journals (Sweden)

    Douguet N.

    2015-01-01

    Full Text Available We present results of a theoretical study on dissociative recombination of the HCNH+, HCO+ and N2H+ linear polyatomic ions at low energies using a simple theoretical model. In the present study, the indirect mechanism for recombination proceeds through the capture of the incoming electron in excited vibrational Rydberg states attached to the degenerate transverse modes of the linear ions. The strength of the non-adiabatic coupling responsible for dissociative recombination is determined directly from the near-threshold scattering matrix obtained numerically using the complex Kohn variational method. The final cross sections for the process are compared with available experimental data. It is demonstrated that at low collision energies, the major contribution to the dissociative recombination cross section is due to the indirect mechanism.

  4. An assumed mode method and finite element method investigation of the coupled vibration in a flexible-disk rotor system with lacing wires

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Shui-Ting; Huang, Hong-Wu [Hunan University, Changsha (China); Chiu, Yi-Jui; Yu, Guo-Fei [Xiamen University of Technology, Xiamen (China); Yang, Chia-Hao [Taipei Chengshih University of Science and Technology, Taipei (China); Jian, Sheng-Rui [I-Shou University, Kaohsiung (China)

    2017-02-15

    The Assumed mode method (AMM) and Finite element method (FEM) were used. Their results were compared to investigate the coupled shaft-torsion, disk-transverse, and blade-bending vibrations in a flexible-disk rotor system. The blades were grouped with a spring. The flexible-disk rotor system was divided into three modes of coupled vibrations: Shaft-disk-blade, disk-blade, and blade-blade. Two new modes of coupled vibrations were introduced, namely, lacing wires-blade and lacing wires-disk-blade. The patterns of change of the natural frequencies and mode shapes of the system were discussed. The results showed the following: first, mode shapes and natural frequencies varied, and the results of the AMM and FEM differed; second, numerical calculation results showed three influencing factors on natural frequencies, namely, the lacing wire constant, the lacing wire location, and the flexible disk; lastly, the flexible disk could affect the stability of the system as reflected in the effect of the rotational speed.

  5. Coupling matrix-assisted ionization with high resolution mass spectrometry and electron transfer dissociation to characterize intact proteins and post-translational modifications.

    Science.gov (United States)

    Chen, Bingming; Lietz, Christopher B; Li, Lingjun

    2017-09-12

    Matrix-assisted ionization (MAI) is a recently developed ionization technique that produces multiply charged ions on either electrospray ionization (ESI) or matrix-assisted laser desorption/ionization (MALDI) platform without the need of high voltage or laser ablation. In this study, MAI has been coupled to a high resolution accurate mass (HRAM) hybrid instrument, the Orbitrap Elite mass spectrometer, with electron transfer dissociation (ETD) module for fast peptide and intact protein characterization. The softness of MAI process preserves labile post-translational modifications (PTM) and allows fragmentation and localization by ETD. Moreover, MAI on ESI platform allows rapid sample preparation and analysis (~ 1 min/sample) due to the easiness of sample introduction. It significantly improves the throughput compared to ESI direct infusion and MAI on MALDI platform, which usually takes more than 10 min/sample. Intact protein standards, protein mixtures, and neural tissue extracts have been characterized using this instrument platform with both full MS and MS/MS (CID, HCD, and ETD) analyses. Furthermore, the performances of ESI, MALDI, and MAI on both platforms have been tested to provide a systematic comparison among these techniques. With improved ETD performance and PTM analysis capabilities, we anticipate that the HRAM MAI-MS with ETD module will offer greater utilities in large molecule characterization with enhanced speed and coverage. These advancements will enable promising applications in bottom-up and top-down protein analyses. Graphical abstract Matrix-assisted ionization (MAI) for characterizing intact proteins and post-translational modifications with representative mass spectra from intact proteins.

  6. Investigation of block foundations resting on soil–rock and rock–rock media under coupled vibrations

    Directory of Open Access Journals (Sweden)

    Renuka Darshyamkar

    2017-04-01

    Full Text Available In the present study, the dynamic response of block foundations of different equivalent radius to mass (Ro/m ratios under coupled vibrations is investigated for various homogeneous and layered systems. The frequency-dependent stiffness and damping of foundation resting on homogeneous soils and rocks are determined using the half-space theory. The dynamic response characteristics of foundation resting on the layered system considering rock–rock combination are evaluated using finite element program with transmitting boundaries. Frequencies versus amplitude responses of block foundation are obtained for both translational and rotational motion. A new methodology is proposed for determination of dynamic response of block foundations resting on soil–rock and weathered rock–rock system in the form of equations and graphs. The variations of dimensionless natural frequency and dimensionless resonant amplitude with shear wave velocity ratio are investigated for different thicknesses of top soil/weathered rock layer. The dynamic behaviors of block foundations are also analyzed for different rock–rock systems by considering sandstone, shale and limestone underlain by basalt. The variations of stiffness, damping and amplitudes of block foundations with frequency are shown in this study for various rock–rock combinations. In the analysis, two resonant peaks are observed at two different frequencies for both translational and rotational motion. It is observed that the dimensionless resonant amplitudes decrease and natural frequencies increase with increase in shear wave velocity ratio. Finally, the parametric study is performed for block foundations with dimensions of 4 m × 3 m × 2 m and 8 m × 5 m × 2 m by using generalized graphs. The variations of natural frequency and peak displacement amplitude are also studied for different top layer thicknesses and eccentric moments.

  7. Optimization of Sensing and Feedback Control for Vibration/Flutter of Rotating Disk by PZT Actuators via Air Coupled Pressure

    Directory of Open Access Journals (Sweden)

    Bingfeng Ju

    2011-03-01

    Full Text Available In this paper, a feedback control mechanism and its optimization for rotating disk vibration/flutter via changes of air-coupled pressure generated using piezoelectric patch actuators are studied. A thin disk rotates in an enclosure, which is equipped with a feedback control loop consisting of a micro-sensor, a signal processor, a power amplifier, and several piezoelectric (PZT actuator patches distributed on the cover of the enclosure. The actuator patches are mounted on the inner or the outer surfaces of the enclosure to produce necessary control force required through the airflow around the disk. The control mechanism for rotating disk flutter using enclosure surfaces bonded with sensors and piezoelectric actuators is thoroughly studied through analytical simulations. The sensor output is used to determine the amount of input to the actuator for controlling the response of the disk in a closed loop configuration. The dynamic stability of the disk-enclosure system, together with the feedback control loop, is analyzed as a complex eigenvalue problem, which is solved using Galerkin’s discretization procedure. The results show that the disk flutter can be reduced effectively with proper configurations of the control gain and the phase shift through the actuations of PZT patches. The effectiveness of different feedback control methods in altering system characteristics and system response has been investigated. The control capability, in terms of control gain, phase shift, and especially the physical configuration of actuator patches, are also evaluated by calculating the complex eigenvalues and the maximum displacement produced by the actuators. To achieve a optimal control performance, sizes, positions and shapes of PZT patches used need to be optimized and such optimization has been achieved through numerical simulations.

  8. Theoretical analysis based on fundamental functions of thin plate and experimental measurement for vibration characteristics of a plate coupled with liquid

    Science.gov (United States)

    Liao, Chan-Yi; Wu, Yi-Chuang; Chang, Ching-Yuan; Ma, Chien-Ching

    2017-04-01

    This study combined theoretical, experimental, and numerical analysis to investigate the vibration characteristics of a thin rectangular plate positioned horizontally at the bottom of a rectangular container filled with liquid. Flow field pressure was derived using an equation governing the behavior of incompressible fluids. Analytic solutions to vibrations in a thin plate in air served as the fundamental function of the thin plate coupled with liquid. We then used liquid pressure, and the out-of-plane deflection of the thin plate for the construction of frequency response functions for the analysis of vibration characteristics in the liquid-plate coupling system. Two experimental methods were employed to measure the vibration characteristics of the thin plate immersed in water. The first involved using sensors of polyvinylidene difluoride (PVDF) to measure transient signals of fluid-plate system subjected an impact at the thin plate. These were then converted to the frequency domain in order to obtain the resonant frequencies of the fluid-plate coupling system. The second method was amplitude-fluctuation electronic speckle pattern interferometry (AF-ESPI), which was used to measure the dynamic characteristics of the thin plate in the flow field. This method was paired with the image processing techniques, temporal speckle pattern interferometry (TSPI) and temporal standard deviation (TSTD), to obtain clear mode shapes of the thin plate and resonant frequencies. Comparison of the results from theoretical analysis, finite element method, and experimental measurements confirmed the accuracy of our theoretical analysis, which was superior to the conventional approach based on beam mode shape functions. The experimental methods proposed in this study can be used to measure the resonant frequencies of underwater thin plates, and clear mode shapes can be obtained using AF-ESPI. Our results indicate that the resonant frequencies of thin plates underwater are lower than

  9. Coupled bending-torsion vibration of a homogeneous beam with a single delamination subjected to axial loads and static end moments

    Science.gov (United States)

    Liu, Yang; Shu, Dong-Wei

    2014-08-01

    Delaminations in structures may significantly reduce the stiffness and strength of the structures and may affect their vibration characteristics. As structural components, beams have been used for various purposes, in many of which beams are often subjected to axial loads and static end moments. In the present study, an analytical solution is developed to study the coupled bending-torsion vibration of a homogeneous beam with a single delamination subjected to axial loads and static end moments. Euler-Bernoulli beam theory and the "free mode" assumption in delamination vibration are adopted. This is the first study of the influences of static end moments upon the effects of delaminations on natural frequencies, critical buckling loads and critical moments for lateral instability. The results show that the effects of delamination on reducing natural frequencies, critical buckling load and critical moment for lateral instability are aggravated by the presence of static end moment. In turn, the effects of static end moments on vibration and instability characteristics are affected by the presence of delamination. The analytical results of this study can serve as a benchmark for finite element method and other numerical solutions.

  10. Vibration-rotation pattern in acetylene. II. Introduction of Coriolis coupling in the global model and analysis of emission spectra of hot acetylene around 3 μm

    Science.gov (United States)

    Amyay, Badr; Robert, Séverine; Herman, Michel; Fayt, André; Raghavendra, Balakrishna; Moudens, Audrey; Thiévin, Jonathan; Rowe, Bertrand; Georges, Robert

    2009-09-01

    A high temperature source has been developed and coupled to a high resolution Fourier transform spectrometer to record emission spectra of acetylene around 3 μm up to 1455 K under Doppler limited resolution (0.015 cm-1). The ν3-ground state (GS) and ν2+ν4+ν5 (Σu+ and Δu)-GS bands and 76 related hot bands, counting e and f parities separately, are assigned using semiautomatic methods based on a global model to reproduce all related vibration-rotation states. Significantly higher J-values than previously reported are observed for 40 known substates while 37 new e or f vibrational substates, up to about 6000 cm-1, are identified and characterized by vibration-rotation parameters. The 3 811 new or improved data resulting from the analysis are merged into the database presented by Robert et al. [Mol. Phys. 106, 2581 (2008)], now including 15 562 lines accessing vibrational states up to 8600 cm-1. A global model, updated as compared to the one in the previous paper, allows all lines in the database to be simultaneously fitted, successfully. The updates are discussed taking into account, in particular, the systematic inclusion of Coriolis interaction.

  11. Vibration-rotation pattern in acetylene. II. Introduction of Coriolis coupling in the global model and analysis of emission spectra of hot acetylene around 3 microm.

    Science.gov (United States)

    Amyay, Badr; Robert, Séverine; Herman, Michel; Fayt, André; Raghavendra, Balakrishna; Moudens, Audrey; Thiévin, Jonathan; Rowe, Bertrand; Georges, Robert

    2009-09-21

    A high temperature source has been developed and coupled to a high resolution Fourier transform spectrometer to record emission spectra of acetylene around 3 mum up to 1455 K under Doppler limited resolution (0.015 cm(-1)). The nu(3)-ground state (GS) and nu(2)+nu(4)+nu(5) (Sigma(u) (+) and Delta(u))-GS bands and 76 related hot bands, counting e and f parities separately, are assigned using semiautomatic methods based on a global model to reproduce all related vibration-rotation states. Significantly higher J-values than previously reported are observed for 40 known substates while 37 new e or f vibrational substates, up to about 6000 cm(-1), are identified and characterized by vibration-rotation parameters. The 3 811 new or improved data resulting from the analysis are merged into the database presented by Robert et al. [Mol. Phys. 106, 2581 (2008)], now including 15 562 lines accessing vibrational states up to 8600 cm(-1). A global model, updated as compared to the one in the previous paper, allows all lines in the database to be simultaneously fitted, successfully. The updates are discussed taking into account, in particular, the systematic inclusion of Coriolis interaction.

  12. Hydrogen dissociation on metal surfaces

    OpenAIRE

    Wijzenbroek, M.

    2016-01-01

    Dissociative chemisorption is an important reaction step in many catalytic reactions. An example of such a reaction is the Haber-Bosch process, which is used commercially to produce ammonia, an important starting material in the production of fertilisers. In theoretical descriptions of such chemical processes often approximations need to be made in order to keep the computational cost feasible, such as fixing the surface atoms in place, rather than allowing them to vibrate. In this work, seve...

  13. The toluene-Ar complex: S0 and S1 van der Waals modes, changes to methyl rotation, and torsion-van der Waals vibration coupling.

    Science.gov (United States)

    Gascooke, Jason R; Lawrance, Warren D

    2013-02-28

    The methyl rotor and van der Waals vibrational levels in the S1 and S0 states of toluene-Ar have been investigated by the technique of two-dimensional laser induced fluorescence (2D-LIF). The S0 van der Waals and methyl rotor levels are reported for the first time, while improved S1 values are presented. The correlations seen in the 2D-LIF images between the S0 and S1 states lead to a reassignment of key features in the S1 ← S0 excitation spectrum. This reassignment reveals that there are significant changes in the methyl rotor levels in the complex compared with those in bare toluene, particularly at low m. The observed rotor energies are explained by the introduction of a three-fold, V3, term in the torsion potential (this term is zero in toluene) and a reduction in the height of the six-fold, V6, barriers in S0 and S1 from their values in bare toluene. The V3 term is larger in magnitude than the V6 term in both S0 and S1. The constants determined are ∣V3(S1)∣ = 33.4 ± 1.0 cm(-1), ∣V3(S0)∣ = 20.0 ± 1.0 cm(-1), V6(S1) = -10.7 ± 1.0 cm(-1), and V6(S0) = -1.7 ± 1.0 cm(-1). The methyl rotor is also found to couple with van der Waals vibration; specifically, the m(") = 2 rotor state couples with the combination level involving one quantum of the long axis bend and m(") = 1. The coupling constant is determined to be 1.9 cm(-1), which is small compared with the values typically reported for torsion-vibration coupling involving ring modes.

  14. The toluene-Ar complex: S0 and S1 van der Waals modes, changes to methyl rotation, and torsion-van der Waals vibration coupling

    Science.gov (United States)

    Gascooke, Jason R.; Lawrance, Warren D.

    2013-02-01

    The methyl rotor and van der Waals vibrational levels in the S1 and S0 states of toluene-Ar have been investigated by the technique of two-dimensional laser induced fluorescence (2D-LIF). The S0 van der Waals and methyl rotor levels are reported for the first time, while improved S1 values are presented. The correlations seen in the 2D-LIF images between the S0 and S1 states lead to a reassignment of key features in the S1 ← S0 excitation spectrum. This reassignment reveals that there are significant changes in the methyl rotor levels in the complex compared with those in bare toluene, particularly at low m. The observed rotor energies are explained by the introduction of a three-fold, V3, term in the torsion potential (this term is zero in toluene) and a reduction in the height of the six-fold, V6, barriers in S0 and S1 from their values in bare toluene. The V3 term is larger in magnitude than the V6 term in both S0 and S1. The constants determined are |V3(S1)| = 33.4 ± 1.0 cm-1, |V3(S0)| = 20.0 ± 1.0 cm-1, V6(S1) = -10.7 ± 1.0 cm-1, and V6(S0) = -1.7 ± 1.0 cm-1. The methyl rotor is also found to couple with van der Waals vibration; specifically, the m″ = 2 rotor state couples with the combination level involving one quantum of the long axis bend and m″ = 1. The coupling constant is determined to be 1.9 cm-1, which is small compared with the values typically reported for torsion-vibration coupling involving ring modes.

  15. Compact Vibration Damper

    Science.gov (United States)

    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.

  16. Dissociation of internal energy-selected methyl bromide ion revealed from threshold photoelectron-photoion coincidence velocity imaging

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Xiaofeng [Hefei National Laboratory for Physical Sciences at the Microscale and Department of Chemical Physics, University of Science and Technology of China, Hefei 230026 (China); National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029 (China); Zhou, Xiaoguo, E-mail: xzhou@ustc.edu.cn, E-mail: yanbing@jlu.edu.cn; Liu, Shilin [Hefei National Laboratory for Physical Sciences at the Microscale and Department of Chemical Physics, University of Science and Technology of China, Hefei 230026 (China); Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Sun, Zhongfa [Hefei National Laboratory for Physical Sciences at the Microscale and Department of Chemical Physics, University of Science and Technology of China, Hefei 230026 (China); Liu, Fuyi; Sheng, Liusi [National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029 (China); Yan, Bing, E-mail: xzhou@ustc.edu.cn, E-mail: yanbing@jlu.edu.cn [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China)

    2014-01-28

    Dissociative photoionization of methyl bromide (CH{sub 3}Br) in an excitation energy range of 10.45–16.90 eV has been investigated by using threshold photoelectron-photoion coincidence (TPEPICO) velocity imaging. The coincident time-of-flight mass spectra indicate that the ground state X{sup 2}E of CH{sub 3}Br{sup +} is stable, and both A{sup 2}A{sub 1} and B{sup 2}E ionic excited states are fully dissociative to produce the unique fragment ion of CH{sub 3}{sup +}. From TPEPICO 3D time-sliced velocity images of CH{sub 3}{sup +} dissociated from specific state-selected CH{sub 3}Br{sup +} ion, kinetic energy release distribution (KERD) and angular distribution of CH{sub 3}{sup +} fragment ion are directly obtained. Both spin-orbit states of Br({sup 2}P) atom can be clearly observed in fast dissociation of CH{sub 3}Br{sup +}(A{sup 2}A{sub 1}) ion along C–Br rupture, while a KERD of Maxwell-Boltzmann profile is obtained in dissociation of CH{sub 3}Br{sup +}(B{sup 2}E) ion. With the aid of the re-calculated potential energy curves of CH{sub 3}Br{sup +} including spin-orbit coupling, dissociation mechanisms of CH{sub 3}Br{sup +} ion in A{sup 2}A{sub 1} and B{sup 2}E states along C–Br rupture are revealed. For CH{sub 3}Br{sup +}(A{sup 2}A{sub 1}) ion, the CH{sub 3}{sup +} + Br({sup 2}P{sub 1/2}) channel is occurred via an adiabatic dissociation by vibration, while the Br({sup 2}P{sub 3/2}) formation is through vibronic coupling to the high vibrational level of X{sup 2}E state followed by rapid dissociation. C–Br bond breaking of CH{sub 3}Br{sup +}(B{sup 2}E) ion can occur via slow internal conversion to the excited vibrational level of the lower electronic states and then dissociation.

  17. Contribution to Experimental Validation of Linear and Non-Linear Dynamic Models for Representing Rotor-Blade Parametric Coupled Vibrations

    DEFF Research Database (Denmark)

    Santos, Ilmar; Saracho, C.M.; Smith, J.T.

    2004-01-01

    , it is possible to highlight some dynamic effects and experimentally simulate the structural behavior of a windmill in two dimensions (2D-model). Only lateral displacement of the rotor in the horizontal direction is taken into account. Gyroscopic effect due to rotor angular vibrations is eliminated in the test...... linear, non-linear and time-depending terms in a very transparent way. Although neither gyroscopic effect due to rotor angular vibrations nor higher blade mode shapes are considered in the analysis, the equations of motion of the rotor-blades system are still general enough for the purpose of the work...

  18. Modeling the Vibrational Dynamics and Nonlinear Infrared Spectra of Coupled Amide I and II Modes in Peptides

    NARCIS (Netherlands)

    Dijkstra, Arend G.; Jansen, Thomas la Cour; Knoester, Jasper

    2011-01-01

    The amide vibrational modes play an important role in energy transport and relaxation in polypeptides and proteins and provide us with spectral markers for structure and structural dynamics of these macromolecules. Here, we present a detailed model to describe the dynamic properties of the amide I

  19. Interplay of exciton coupling and large-amplitude motions in the vibrational circular dichroism spectrum of dehydroquinidine

    NARCIS (Netherlands)

    Nicu, V.P.; Domingos, S.R.; Strudwick, B.H.; Brouwer, A.M.; Buma, W.J.

    2015-01-01

    A detailed analysis of the computed structure, energies, vibrational absorption (VA) and circular dichroism (VCD) spectra of 30 low-energy conformers of dehydroquinidine reveals the existence of families of pseudo-conformers, the structures of which differ mostly in the orientation of a single

  20. An experimental and statistical study of the behavior of the vibration field in two coupled lightweight wooden joist floors

    DEFF Research Database (Denmark)

    Sjökvist, Lars-Göran; Brunskog, Jonas

    2013-01-01

    The aim of this study was to evaluate the vibration level attenuation of a common wooden floor structure and to present the results together with the statistical precision of the evaluation. Linear regression was used to determine the attenuation rate in the two main directions of the floor...

  1. Coupling thin-layer chromatography with vibrational cooling matrix-assisted laser desorption/ionization Fourier transform mass spectrometry for the analysis of ganglioside mixtures.

    Science.gov (United States)

    Ivleva, Vera B; Elkin, Yuri N; Budnik, Bogdan A; Moyer, Susanne C; O'Connor, Peter B; Costello, Catherine E

    2004-11-01

    Thin-layer chromatography (TLC), which is widely used for separation of glycolipids, oligosaccharides, lipids, and compounds of environmental and pharmaceutical interest, can be readily coupled to matrix-assisted laser desorption/ionization (MALDI) time-of-flight mass spectrometers, but this arrangement usually compromises mass spectral resolution due to the irregularity of the TLC surface. However, TLC can be coupled to an external ion source MALDI-Fourier transform (FT) MS instrument without compromising mass accuracy and resolution of the spectra. Furthermore, when the FTMS has a vibrationally cooled MALDI ion source, fragile glycolipids can be desorbed from TLC plates without fragmentation, even to the point that desorption of intact molecules from "hot"matrixes such as alpha-cyano-4-hydroxycinnamic acid is possible. In this work, whole brain gangliosides are separated using TLC; the TLC plates are attached directly to the MALDI target, where the gangliosides are desorbed, ionized, and detected in the FTMS with >70 000 resolving power.

  2. Vibration and buckling of orthotropic functionally graded micro-plates on the basis of a re-modified couple stress theory

    Directory of Open Access Journals (Sweden)

    Zihao Yang

    Full Text Available A microstructure-dependent model for the free vibration and buckling analysis of an orthotropic functionally graded micro-plate was proposed on the basis of a re-modified couple stress theory. The macro- and microscopic anisotropy were simultaneously taken into account by introducing two material length scale parameters. The material attributes were assumed to vary continuously through the thickness direction by a power law. The governing equations and corresponding boundary conditions were derived through Hamilton’s principle. The Navier method was used to calculate the natural frequencies and buckling loads of a simply supported micro-plate. The numerical results indicated that the present model predicts higher natural frequencies and critical buckling loads than the classical model, particular when the geometric size of the micro-plates is comparable to the material length scale parameters, i.e., the scale effect is well represented. The scale effect becomes more noticeable as the material length scale parameters increase, the anisotropy weaken or the power law index increases, and vice versa. Keywords: Free vibration, Buckling, Functionally graded materials, Modified couple stress theory, Scale effect

  3. Development and testing of a numerical simulation method for thermally nonequilibrium dissociating flows in ANSYS Fluent

    Science.gov (United States)

    Shoev, G. V.; Bondar, Ye. A.; Oblapenko, G. P.; Kustova, E. V.

    2016-03-01

    Various issues of numerical simulation of supersonic gas flows with allowance for thermochemical nonequilibrium on the basis of fluid dynamic equations in the two-temperature approximation are discussed. The computational tool for modeling flows with thermochemical nonequilibrium is the commercial software package ANSYS Fluent with an additional userdefined open-code module. A comparative analysis of results obtained by various models of vibration-dissociation coupling in binary gas mixtures of nitrogen and oxygen is performed. Results of numerical simulations are compared with available experimental data.

  4. Comprehensive stability analysis of disc brake vibrations including gyroscopic, negative friction slope and mode-coupling mechanisms

    Science.gov (United States)

    Kang, Jaeyoung; Krousgrill, Charles M.; Sadeghi, Farshid

    2009-07-01

    The current study investigates the disc brake squeal by using an annular disc in contact with two pads subject to distributed friction stresses. The disc and pads are modeled as rotating annular and stationary annular sector plates, respectively. Friction stress is described on the deformed disc surface as distributed non-conservative friction-couples and frictional follower forces. From disc doublet-mode and multiple-mode models, the mode-coupling mechanism influenced by disc rotation is examined. In automotive applications, the frictional mode-coupling resulting from friction couple is shown to be the major mechanism for dynamic destabilization, whereas the effects of disc rotation on flutter destabilization are found to be small. On the verge of stop, however, the rotation effects effectively stabilize the steady sliding. This comprehensive brake model has shown that there is a speed corresponding to maximum squeal propensity for each flutter mode.

  5. Coupled Bending-Bending-Torsion Vibration of a Pre-Twisted Beam with Aerofoil Cross-Section by the Finite Element Method

    Directory of Open Access Journals (Sweden)

    Bulent Yardimoglu

    2003-01-01

    Full Text Available The present study deals with a finite element model for coupled bending-bending-torsion vibration analysis of a pretwisted Timoshenko beam with varying aerofoil cross-section. The element derived in this paper has two nodes, with seven degrees of freedom at each node. The nodal variables are transverse displacements, cross-section rotations and the shear angles in two planes and torsional displacement. The advantage of the present element is the exclusion of unnecessary derivatives of fundamental nodal variables, which were included to obtain invertable square matrix by other researchers, by choosing proper displacement functions and using relationship between cross-sectional rotation and the shear deformation. Element stiffness and mass matrices are developed from strain and kinetic energy expressions by assigning proper order polynomial expressions for cross-section properties and considering higher order coupling coefficients. The correctness of the present model is confirmed by the experimental results available in the literature. Comparison of the proposed model results with those in the literature indicates that a faster convergence is obtained. The results presented also provide some insights in the formulation by clearly indicating that higher order coupling terms have considerable influence on the natural frequencies.

  6. Dissociative phenomenology of dissociative identity disorder.

    Science.gov (United States)

    Dell, Paul F

    2002-01-01

    The goal of this study was to investigate the dissociative phenomenology of dissociative identity disorder (DID). The Multidimensional Inventory of Dissociation (MID) was administered to 34 patients with DID, 23 patients with dissociative disorder not otherwise specified (DDNOS), 52 patients with mixed psychiatric disorders, and 58 normal individuals. DID patients obtained significantly higher scores than the other three groups on 27 dissociation-related variables. DDNOS patients had significantly higher scores than normals and mixed psychiatric patients on 17 and 15 dissociation-related variables, respectively. The findings of the present study are virtually identical to a large body of replicated findings about the dissociative phenomenology of DID. This broad range of dissociation-related phenomena, which routinely occurs in individuals with DID, is largely absent from the DSM-IV-TR account of DID. Factor analysis of the 11 dimensions of dissociation that are measured by the MID extracted only one factor that accounted for 85% of the variance. It was concluded that dissociation is a unifactorial taxon or natural type that has different aspects or epiphenomena (i.e., amnesia, depersonalization, voices, trance, etc.).

  7. Vibrational Dependence of Line Coupling and Line Mixing in Self-Broadened Parallel Bands of NH3

    Science.gov (United States)

    Ma, Q.; Boulet, C.; Tipping, R. H.

    2017-01-01

    Line coupling and line mixing effects have been calculated for several self-broadened NH3 lines in parallel bands involving an excited v2 mode. It is well known that once the v2 mode is excited, the inversion splitting quickly increases as this quantum number increases. In the present study, we have shown that the v2 dependence of the inversion splitting plays a dominant role in the calculated line-shape parameters. For the v2 band with a 36 cm-1 splitting, the intra-doublet couplings practically disappear and for the 2v2 and 2v2 - v2 bands with much higher splitting values, they are completely absent. With respect to the inter-doublet coupling, it becomes the most efficient coupling mechanism for the v2 band, but it is also completely absent for bands with higher v2 quantum numbers. Because line mixing is caused by line coupling, the above conclusions on line coupling are also applicable for line mixing. Concerning the check of our calculated line mixing effects, while the present formalism has well explained the line mixing signatures observed in the v1 band, there are large discrepancies between the measured Rosenkranz mixing parameters and our calculated results for the v2 and 2v2 bands. In order to clarify these discrepancies, we propose to make some new measurements. In addition, we have calculated self-broadened half-widths in the v2 and 2v2 bands and made comparisons with several measurements and with the values listed in HITRAN 2012. In general, the agreements with measurements are very good. In contrast, the agreement with HITRAN 2012 is poor, indicating that the empirical formula used to predict the HITRAN 2012 data has to be updated.

  8. Noninvasive Vibrational Mode Spectroscopy of Ion Coulomb Crystals through Resonant Collective Coupling to an Optical Cavity Field

    DEFF Research Database (Denmark)

    Dantan, Aurélien; Marler, Joan; Albert, Magnus

    2010-01-01

    We report on a novel noninvasive method to determine the normal mode frequencies of ion Coulomb crystals in traps based on the resonance enhanced collective coupling between the electronic states of the ions and an optical cavity field at the single photon level. Excitations of the normal modes...... are observed through a Doppler broadening of the resonance. An excellent agreement with the predictions of a zero-temperature uniformly charged liquid plasma model is found. The technique opens up for investigations of the heating and damping of cold plasma modes, as well as the coupling between them....

  9. Ultrafast studies of photodissociation in solution: Dissociation, recombination and relaxation

    Energy Technology Data Exchange (ETDEWEB)

    King, Jason Christopher [Univ. of California, Berkeley, CA (United States)

    1995-05-01

    Photodissociation of M(CO)6 (M=Cr,Mo,W) and the formation of solvated M(CO)5•S complex was studied in cyclohexane; rate-limiting step is vibrational energy relaxation from the new bond to the solvent. For both M=Cr and Mo, the primary relaxation occurs in 18 ps; for Cr, there is an additional vibrational relaxation (150 ps time scale) of a CO group poorly coupled to other modes. Relaxation of M=W occurs in 42 ps; several possible mechanisms for the longer cooling are discussed. Vibrational relaxation is also investigated for I2- and IBr- in nonpolar and slightly polar solvents. Attempts were made to discover the mechanism for the fast energy transfer in nonpolar solvent. The longer time scale dynamics of I3- and IBr2- were also studied; both formed a metastable complex following photodissociation and 90-95% return to ground state in 100 ps, implying a barrier to recombination of 4.3 kcal/mol and a barrier to escape of ≥5.5 kcal/mol. The more complex photochemistry of M3(CO)12 (M=Fe,Ru) is also investigated, using visible and ultraviolet radiations, dissociation, geminate recombination, vibrational relaxation, and bridging structures and their reactions were studied. Attempts were made to extend ultrafast spectroscopy into the mid-infrared, but signal-to-noise was poor.

  10. Dissociation dynamics of methylal

    Energy Technology Data Exchange (ETDEWEB)

    Beaud, P.; Frey, H.-M.; Gerber, T.; Mischler, B.; Radi, P.P.; Tzannis, A.-P. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1999-08-01

    The dissociation of methylal is investigated using mass spectrometry, combined with a pyrolytic radical source and femtosecond pump probe experiments. Based on preliminary results two reaction paths of methylal dissociation are proposed and discussed. (author) 4 fig., 3 refs.

  11. Coupling of collective motions of the protein matrix to vibrations of the non-heme iron in bacterial photosynthetic reaction centers.

    Science.gov (United States)

    Orzechowska, A; Lipińska, M; Fiedor, J; Chumakov, A; Zajac, M; Slezak, T; Matlak, K; Strzałka, K; Korecki, J; Fiedor, L; Burda, K

    2010-10-01

    Non-heme iron is a conservative component of type II photosynthetic reaction centers of unknown function. We found that in the reaction center from Rba. sphaeroides it exists in two forms, high and low spin ferrous states, whereas in Rsp. rubrum mostly in a low spin state, in line with our earlier finding of its low spin state in the algal photosystem II reaction center (Burda et al., 2003). The temperature dependence of the non-heme iron displacement studied by Mössbauer spectroscopy shows that the surrounding of the high spin iron is more flexible (Debye temperature ~165K) than that of the low spin atom (~207K). Nuclear inelastic scattering measurements of the collective motions in the Rba. sphaeroides reaction center show that the density of vibrational states, originating from non-heme iron, has well-separated modes between lower (4-17meV) and higher (17-25meV) energies while in the one from Rsp. rubrum its distribution is more uniform with only little contribution of low energy (~6meV) vibrations. It is the first experimental evidence that the fluctuations of the protein matrix in type II reaction center are correlated to the spin state of non-heme iron. We propose a simple mechanism in which the spin state of non-heme iron directly determines the strength of coupling between the two quinone acceptors (Q(A) and Q(B)) and fast collective motions of protein matrix that play a crucial role in activation and regulation of the electron and proton transfer between these two quinones. We suggest that hydrogen bond network on the acceptor side of reaction center is responsible for stabilization of non-heme iron in different spin states. Copyright © 2010 Elsevier B.V. All rights reserved.

  12. Effect of particle-core-vibration coupling near the double closed $^{132}$Sn nucleus from precise magnetic moment measurements

    CERN Multimedia

    Postma, H; Heyde, K; Walker, P; Grant, I; Veskovic, M; Stone, N; Stone, J

    2002-01-01

    % IS301 \\\\ \\\\ Low temperature nuclear orientation of isotope-separator implanted short-lived radio-isotopes makes possible the measurements of nuclear magnetic dipole moments of oriented ground and excited states with half-lives longer than a few seconds. Coupling schemes characterizing the odd nucleons and ground-state deformations can be extracted from the nuclear moments. \\\\ We thus propose to measure the magnetic dipole moments of $^{127-133}$Sb to high precision using NMR/ON at the NICOLE facility. With (double magic +1) $^{133}$Sb as the reference, the main aim of this experiment is to examine whether the collective component in the 7/2$^+$ Sb ground state magnetic dipole moment varies as expected according to particle-core coupling calculations carried out for the Sb (Z=51) isotopes. Comparison of the 1-proton-particle excitations in Sb to 1-proton-hole states in In nuclei will shed light on differences between particle and hole excitations as understood within the present model. Comparison of ...

  13. Electron capture dissociation and drift tube ion mobility-mass spectrometry coupled with site directed mutations provide insights into the conformational diversity of a metamorphic protein.

    Science.gov (United States)

    Harvey, Sophie R; Porrini, Massimiliano; Tyler, Robert C; MacPhee, Cait E; Volkman, Brian F; Barran, Perdita E

    2015-04-28

    Ion mobility mass spectrometry can be combined with data from top-down sequencing to discern adopted conformations of proteins in the absence of solvent. This multi-technique approach has particular applicability for conformationally dynamic systems. Previously, we demonstrated the use of drift tube ion mobility-mass spectrometry (DT IM-MS) and electron capture dissociation (ECD) to study the metamorphic protein lymphotactin (Ltn). Ltn exists in equilibrium between distinct monomeric (Ltn10) and dimeric (Ltn40) folds, both of which can be preserved and probed in the gas-phase. Here, we further test this mass spectrometric framework, by examining two site directed mutants of Ltn, designed to stabilise either distinct fold in solution, in addition to a truncated form consisting of a minimum model of structure for Ltn10. The truncated mutant has similar collision cross sections to the wild type (WT), for low charge states, and is resistant to ECD fragmentation. The monomer mutant (CC3) presents in similar conformational families as observed previously for the WT Ltn monomer. As with the WT, the CC3 mutant is resistant to ECD fragmentation at low charge states. The dimer mutant W55D is found here to exist as both a monomer and dimer. As a monomer W55D exhibits similar behaviour to the WT, but as a dimer presents a much larger charge state and collision cross section range than the WT dimer, suggesting a smaller interaction interface. In addition, ECD on the W55D mutant yields greater fragmentation than for the WT, suggesting a less stable β-sheet core. The results highlight the power of MS to provide insight into dynamic proteins, providing further information on each distinct fold of Ltn. In addition we observe differences in the fold stability following single or double point mutations. This approach, therefore, has potential to be a useful tool to screen for the structural effects of mutagenesis, even when sample is limited.

  14. Front-End Electron Transfer Dissociation Coupled to a 21 Tesla FT-ICR Mass Spectrometer for Intact Protein Sequence Analysis

    Science.gov (United States)

    Weisbrod, Chad R.; Kaiser, Nathan K.; Syka, John E. P.; Early, Lee; Mullen, Christopher; Dunyach, Jean-Jacques; English, A. Michelle; Anderson, Lissa C.; Blakney, Greg T.; Shabanowitz, Jeffrey; Hendrickson, Christopher L.; Marshall, Alan G.; Hunt, Donald F.

    2017-09-01

    High resolution mass spectrometry is a key technology for in-depth protein characterization. High-field Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) enables high-level interrogation of intact proteins in the most detail to date. However, an appropriate complement of fragmentation technologies must be paired with FTMS to provide comprehensive sequence coverage, as well as characterization of sequence variants, and post-translational modifications. Here we describe the integration of front-end electron transfer dissociation (FETD) with a custom-built 21 tesla FT-ICR mass spectrometer, which yields unprecedented sequence coverage for proteins ranging from 2.8 to 29 kDa, without the need for extensive spectral averaging (e.g., 60% sequence coverage for apo-myoglobin with four averaged acquisitions). The system is equipped with a multipole storage device separate from the ETD reaction device, which allows accumulation of multiple ETD fragment ion fills. Consequently, an optimally large product ion population is accumulated prior to transfer to the ICR cell for mass analysis, which improves mass spectral signal-to-noise ratio, dynamic range, and scan rate. We find a linear relationship between protein molecular weight and minimum number of ETD reaction fills to achieve optimum sequence coverage, thereby enabling more efficient use of instrument data acquisition time. Finally, real-time scaling of the number of ETD reactions fills during method-based acquisition is shown, and the implications for LC-MS/MS top-down analysis are discussed. [Figure not available: see fulltext.

  15. Water dissociation on Ni(100), Ni(110), and Ni(111) surfaces: Reaction path approach to mode selectivity.

    Science.gov (United States)

    Seenivasan, H; Jackson, Bret; Tiwari, Ashwani K

    2017-02-21

    A comparative study of mode-selectivity of water dissociation on Ni(100), Ni(110), and Ni(111) surfaces is performed at the same level of theory using a fully quantum approach based on the reaction path Hamiltonian. Calculations show that the barrier to water dissociation on the Ni(110) surface is significantly lower compared to its close-packed counterparts. Transition states for this reaction on all three surfaces involve the elongation of one of the O-H bonds. A significant decrease in the symmetric stretching and bending mode frequencies near the transition state is observed in all three cases and in the vibrational adiabatic approximation, excitation of these softened modes results in a significant enhancement in reactivity. Inclusion of non-adiabatic couplings between modes results in the asymmetric stretching mode showing a similar enhancement of reactivity as the symmetric stretching mode. Dissociation probabilities calculated at a surface temperature of 300 K showed higher reactivity at lower collision energies compared to that of the static surface case, underlining the importance of lattice motion in enhancing reactivity. Mode selective behavior is similar on all the surfaces. Molecules with one-quantum of vibrational excitation in the symmetric stretch, at lower energies (up to ∼0.45 eV), are more reactive on Ni(110) than the Ni(100) and Ni(111) surfaces. However, the dissociation probabilities approach saturation on all the surfaces at higher incident energy values. Overall, Ni(110) is found to be highly reactive toward water dissociation among the low-index nickel surfaces owing to a low reaction barrier resulting from the openness and corrugation of the surface. These results show that the mode-selective behavior does not vary with different crystal facets of Ni qualitatively, but there is a significant quantitative effect.

  16. Dissociative sticking of CH4 on Ru(0001)

    DEFF Research Database (Denmark)

    Nielsen, Jane Hvolbæk; Holmblad, Peter Mikal; Chorkendorff, Ib

    1999-01-01

    In this study the CH4 dissociation probability on Ru(0001) is found for various translational and vibrational energies. The absolute sticking values are determined from King and Wells experiments and carbon uptake curves. The carbon amount is determined from the recombination signal of carbon wit...... for CH4 dissociation is found to be in good agreement with previous bulb experiments. (C) 1999 American Institute of Physics. [S0021-9606(99)71405-4]....

  17. A unifying model for non-adiabatic coupling at metallic surfaces beyond the local harmonic approximation: from vibrational relaxation to scanning tunneling microscopy.

    Science.gov (United States)

    Tremblay, Jean Christophe

    2013-06-28

    A model for treating excitation and relaxation of adsorbates at metallic surfaces induced by non-adiabatic coupling is developed. The derivation is based on the concept of resonant electron transfer, where the adsorbate serves as a molecular bridge for the inelastic transition between an electron source and a sink. In this picture, energy relaxation and scanning tunneling microscopy (STM) at metallic surfaces are treated on an equal footing as a quasi-thermal process. The model goes beyond the local harmonic approximation and allows for an unbiased description of floppy systems with multiple potential wells. Further, the limitation of the product ansatz for the vibronic wave function to include the position-dependence of the non-adiabatic couplings is avoided by explicitly enforcing detailed balance. The theory is applied to the excitation of hydrogen on palladium, which has multiple local potential minima connected by low energy barriers. The main aspects investigated are the lifetimes of adsorbate vibrations in different adsorption sites, as well as the dependence of the excitation, response, and transfer rates on an applied potential bias. The excitation and relaxation simulations reveal intricate population dynamics that depart significantly from the simplistic tunneling model in a truncated harmonic potential. In particular, the population decay from an initially occupied local minimum induced by the contact with an STM tip is found to be better described by a double exponential. The two rates are interpreted as a response to the system perturbation and a transfer rate following the perturbation. The transfer rate is found to obey a power law, as was the case in previous experimental and theoretical work.

  18. Coupled magneto-electro-mechanical lumped parameter model for a novel vibration-based magneto-electro-elastic energy harvesting systems

    Science.gov (United States)

    Shirbani, Meisam Moory; Shishesaz, Mohammad; Hajnayeb, Ali; Sedighi, Hamid Mohammad

    2017-06-01

    The objective of this paper is to present a coupled magneto-electro-mechanical (MEM) lumped parameter model for the response of the proposed magneto-electro-elastic (MEE) energy harvesting systems under base excitation. The proposed model can be used to create self-powering systems, which are not limited to a finite battery energy. As a novel approach, the MEE composites are used instead of the conventional piezoelectric materials in order to enhance the harvested electrical power. The considered structure consists of a MEE layer deposited on a layer of non-MEE material, in the framework of unimorph cantilever bars (longitudinal displacement) and beams (transverse displacement). To use the generated electrical potential, two electrodes are connected to the top and bottom surfaces of the MEE layer. Additionally, a stationary external coil is wrapped around the vibrating structure to induce a voltage in the coil by the magnetic field generated in the MEE layer. In order to simplify the design procedure of the proposed energy harvester and obtain closed form solutions, a lumped parameter model is prepared. As a first step in modeling process, the governing constitutive equations, Gauss's and Faraday's laws, are used to derive the coupled MEM differential equations. The derived equations are then solved analytically to obtain the dynamic behavior and the harvested voltages and powers of the proposed energy harvesting systems. Finally, the influences of the parameters that affect the performance of the MEE energy harvesters such as excitation frequency, external resistive loads and number of coil turns are discussed in detail. The results clearly show the benefit of the coil circuit implementation, whereby significant increases in the total useful harvested power as much as 38% and 36% are obtained for the beam and bar systems, respectively.

  19. Online coupling of high-resolution chromatography with extreme UV photon activation tandem mass spectrometry: Application to the structural investigation of complex glycans by dissociative photoionization

    Energy Technology Data Exchange (ETDEWEB)

    Ropartz, David, E-mail: David.Ropartz@nantes.inra.fr [INRA, UR1268 Biopolymers Interactions Assemblies F-44316 Nantes (France); Giuliani, Alexandre [Synchrotron SOLEIL, L' Orme des Merisiers, F-91190 Gif-sur-Yvette (France); UAR 1008 CEPIA, INRA, F-44316 Nantes (France); Fanuel, Mathieu [INRA, UR1268 Biopolymers Interactions Assemblies F-44316 Nantes (France); Hervé, Cécile; Czjzek, Mirjam [Sorbonne Universités, Université Pierre et Marie Curie, Paris VI, CNRS, Integrative Biology of Marine Models, UMR 8227, Station Biologique, Place George Teissier, F29688 Roscoff Cedex (France); Rogniaux, Hélène [INRA, UR1268 Biopolymers Interactions Assemblies F-44316 Nantes (France)

    2016-08-24

    The activation of ions by extreme-energy photons (XUV) produced by a synchrotron radiation beamline is a powerful method for characterizing complex glycans using tandem mass spectrometry (MS). As previously described, this activation method leads to rich fragmentation spectra with many structurally valuable cross-ring cleavages while maintaining labile modifications on the glycan structures. However, until now, the tandem MS event was too long to be compatible with liquid chromatography elution times. In this work, the duty cycle of the activation and detection of fragments was shortened, and the background signal on the spectra was drastically reduced. Both improvements allowed, for the first time, the successful coupling of a UHPLC system to XUV-activated tandem MS. The approach was used to characterize a complex mixture of oligo-porphyrans, which are a class of highly sulfated oligosaccharides, in a fully automated way. Due to an enhanced dynamic range and an increased sensitivity, some hypothetical structures of low abundance have been unequivocally confirmed in this study and others have been revised. Some previously undescribed species of oligo-porphyrans that exhibit lateral branching have been fully resolved. This work contributes to the scarce knowledge of the structure of porphyrans in red algae and pushes the current capacities of XUV-activation tandem MS by demonstrating the possibility of a direct coupling with UHPLC. This study will considerably broaden the applicability and practicality of this method in many fields of analytical biology. - Highlights: • For the first time, XUV photon activation tandem MS was coupled to UHPLC. • The approach was used to characterize a complex mixture of biomolecules. • The MSMS duty cycle was compatible with elution times of UHPLC without compromised. • Minor species were characterized with an enhanced sensitivity and dynamic range. • These results broaden the application of the technique in many field of

  20. Impact Coefficient Analysis of Long-Span Railway Cable-Stayed Bridge Based on Coupled Vehicle-Bridge Vibration

    Directory of Open Access Journals (Sweden)

    Yongle Li

    2015-01-01

    Full Text Available Compared with medium and small span bridges, very limited attention has been paid on the research of the impact coefficient of long-span railway bridges. To estimate the impact effects of long-span railway bridges subjected to moving vehicles, a real long-span railway cable-stayed bridge is regarded as the research object in this study, and a coupled model of vehicle-bridge system is established. The track irregularities are taken as the system excitation and the dynamic responses of the vehicle-bridge system are calculated. The impact effects on main girder, stayed cable, bearings, and bridge tower are discussed at various vehicle speeds. The results show that different components of the long-span railway cable-stayed bridge have different impact coefficients. Even for each part, the impact coefficient is also different at different local positions. It reveals that the impact coefficients in the actual situation may have significant differences with the related code clauses in the present design codes.

  1. Combination resonances in forced vibration of spar-type floating substructure with nonlinear coupled system in heave and pitch motion

    Directory of Open Access Journals (Sweden)

    Eung-Young Choi

    2016-05-01

    Full Text Available A spar-type floating substructure that is being widely used for offshore wind power generation is vulnerable to resonance in the heave direction because of its small water plane area. For this reason, the stable dynamic response of this floating structure should be ensured by accurately identifying the resonance characteristics. The purpose of this study is to analyze the characteristics of the combination resonance between the excitation frequency of a regular wave and natural frequencies of the floating substructure. First, the nonlinear equations of motion with two degrees of freedom are derived by assuming that the floating substructure is a rigid body, where the heaving motion and pitching motions are coupled. Moreover, to identify the characteristics of the combination resonance, the nonlinear term in the nonlinear equations is approximated up to the second order using the Taylor series expansion. Furthermore, the validity of the approximate model is confirmed through a comparison with the results of a numerical analysis which is made by applying the commercial software ANSYS AQWA to the full model. The result indicates that the combination resonance occurs at the frequencies of ω±ωn5 and 2ωn5 between the excitation frequency (ω of a regular wave and the natural frequency of the pitching motion (ωn5 of the floating substructure.

  2. Electron capture dissociation proceeds with a low degree of intramolecular migration of peptide amide hydrogens

    DEFF Research Database (Denmark)

    Rand, Kasper D; Adams, Christopher M; Zubarev, Roman A

    2008-01-01

    scrambling) that occurs during vibrational excitation of gas-phase ions. Unlike traditional collisional ion activation, electron capture dissociation (ECD) is not associated with substantial vibrational excitation. We investigated the extent of intramolecular backbone amide hydrogen (1H/2H) migration upon...... ECD using peptides with a unique selective deuterium incorporation. Our results show that only limited amide hydrogen migration occurs upon ECD, provided that vibrational excitation prior to the electron capture event is minimized. Peptide ions that are excessively vibrationally excited...

  3. Online coupling of high-resolution chromatography with extreme UV photon activation tandem mass spectrometry: Application to the structural investigation of complex glycans by dissociative photoionization.

    Science.gov (United States)

    Ropartz, David; Giuliani, Alexandre; Fanuel, Mathieu; Hervé, Cécile; Czjzek, Mirjam; Rogniaux, Hélène

    2016-08-24

    The activation of ions by extreme-energy photons (XUV) produced by a synchrotron radiation beamline is a powerful method for characterizing complex glycans using tandem mass spectrometry (MS). As previously described, this activation method leads to rich fragmentation spectra with many structurally valuable cross-ring cleavages while maintaining labile modifications on the glycan structures. However, until now, the tandem MS event was too long to be compatible with liquid chromatography elution times. In this work, the duty cycle of the activation and detection of fragments was shortened, and the background signal on the spectra was drastically reduced. Both improvements allowed, for the first time, the successful coupling of a UHPLC system to XUV-activated tandem MS. The approach was used to characterize a complex mixture of oligo-porphyrans, which are a class of highly sulfated oligosaccharides, in a fully automated way. Due to an enhanced dynamic range and an increased sensitivity, some hypothetical structures of low abundance have been unequivocally confirmed in this study and others have been revised. Some previously undescribed species of oligo-porphyrans that exhibit lateral branching have been fully resolved. This work contributes to the scarce knowledge of the structure of porphyrans in red algae and pushes the current capacities of XUV-activation tandem MS by demonstrating the possibility of a direct coupling with UHPLC. This study will considerably broaden the applicability and practicality of this method in many fields of analytical biology. Copyright © 2016 Elsevier B.V. All rights reserved.

  4. General features of the dissociative recombination of polyatomic molecules

    Directory of Open Access Journals (Sweden)

    Pratt S.T.

    2015-01-01

    Full Text Available We discuss some aspects of a simple expression for the low-energy dissociative recombination cross section that applies when the recombination process is dominated by the indirect mechanism. In most previous applications, this expression has been applied to capture into vibrationally excited Rydberg states with the assumption that capture is always followed by prompt dissociation. Here we consider the dissociative recombination of larger polyatomic ions and electrons. More specifically, we consider capture into electronically core-excited Rydberg states, and begin to assess its potential importance for larger systems.

  5. Vibration response of misaligned rotors

    Science.gov (United States)

    Patel, Tejas H.; Darpe, Ashish K.

    2009-08-01

    Misalignment is one of the common faults observed in rotors. Effect of misalignment on vibration response of coupled rotors is investigated in the present study. The coupled rotor system is modelled using Timoshenko beam elements with all six dof. An experimental approach is proposed for the first time for determination of magnitude and harmonic nature of the misalignment excitation. Misalignment effect at coupling location of rotor FE model is simulated using nodal force vector. The force vector is found using misalignment coupling stiffness matrix, derived from experimental data and applied misalignment between the two rotors. Steady-state vibration response is studied for sub-critical speeds. Effect of the types of misalignment (parallel and angular) on the vibration behaviour of the coupled rotor is examined. Along with lateral vibrations, axial and torsional vibrations are also investigated and nature of the vibration response is also examined. It has been found that the misalignment couples vibrations in bending, longitudinal and torsional modes. Some diagnostic features in the fast Fourier transform (FFT) of torsional and longitudinal response related to parallel and angular misalignment have been revealed. Full spectra and orbit plots are effectively used to reveal the unique nature of misalignment fault leading to reliable misalignment diagnostic information, not clearly brought out by earlier studies.

  6. Dissociation of fast N-2 molecules scattered from different fcc(110) surfaces

    NARCIS (Netherlands)

    Bruning, K; Heiland, W; Schlatholter, T; Wojciechowski, IA; Medvedeva, MB; Ferleger, VK

    2000-01-01

    The dissociation of fast nitrogen molecules with kinetic energies ranging from 200 to 2000 eV/atom was studied for grazing collisions with various fcc surfaces. At these energies, the dissociation is caused by vibrational and rotational excitation, the latter being favored for scattering along the

  7. Dissociation dynamics of transient anion formed via electron attachment to sulfur dioxide

    OpenAIRE

    Gope, K.; Prabhudesai, V. S.; Mason, N. J.; Krishnakumar, E.

    2017-01-01

    We report the molecular dynamics of dissociative electron attachment to sulfur dioxide (SO2) by measuring the momentum distribution of fragment anions using the velocity slice imaging technique in the electron energy range of 2–10 eV. The S- channel results from symmetric dissociation which exhibits competition between the stretch mode and bending mode of vibration in the excited parent anion. The asymmetric dissociation of parent anions leads to the production of O- and SO- channels where th...

  8. Dissociation in mediation

    Directory of Open Access Journals (Sweden)

    Daniela Muraru

    2008-01-01

    Full Text Available This paper approaches several texts that are part of the so-called discourse of mediation, adopting a pragma-dialectical perspective of the theory of dissociation. It is an attempt to identify the uses of dissociative patterns, with special emphasis on the indicators of dissociation. The paper investigates the various uses of the concept of dissociation as a discursive technique in the argumentation on the different aspects that are involved in international conflict, such as the discussion of the notion of peace. The purpose is to identify the role of dissociation, as a device strategically used by the mediator to help the parties minimize the disagreement space, and come to a conflict resolution.

  9. Spectroscopic probes of vibrationally excited molecules at chemically significant energies

    Energy Technology Data Exchange (ETDEWEB)

    Rizzo, T.R. [Univ. of Rochester, NY (United States)

    1993-12-01

    This project involves the application of multiple-resonance spectroscopic techniques for investigating energy transfer and dissociation dynamics of highly vibrationally excited molecules. Two major goals of this work are: (1) to provide information on potential energy surfaces of combustion related molecules at chemically significant energies, and (2) to test theoretical modes of unimolecular dissociation rates critically via quantum-state resolved measurements.

  10. Low-energy isovector quadrupole vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Faessler, A.; Nojarov, R.

    1986-01-23

    The low-lying isovector quadrupole vibrations are described by an extension of the vibrational model allowing independent proton and neutron vibrations coupled by the symmetry energy. The recently detected low-lying isovector states in nearly spherical nuclei with N=84 are described well concerning their energies and E2/M1 mixing ratios. (orig.).

  11. Dissociative chemisorption of N2 on Rhenium

    DEFF Research Database (Denmark)

    Billing, Gert D.; Guldberg, Annette; Henriksen, Niels Engholm

    1990-01-01

    The dissociative chemisorption of nitrogen on the (0001) rhenium surface is studied at low impact energies, where tunnelling processes are important. A quantum-classical model is used in which two coordinates, the distance from the surface and the vibrational coordinate, are treated quantum...

  12. Theoretical coupling longitudinal-transverse model and experimental verification of transverse vibration of rope for multi-rope friction hoisting system

    National Research Council Canada - National Science Library

    Juan Wu Ziming Kou

    2016-01-01

    .... The modified Galerkin's method was used to discretize partial differential Eqs. The mine hoisting system was used to the example to analysis the relation between the load, velocity and transverse vibration of rope...

  13. Studies of HeH: Dissociative Excitation

    Directory of Open Access Journals (Sweden)

    Ertan E.

    2016-01-01

    Full Text Available We have used structure and scattering calculations to determine the potential energy curves, non-adiabatic couplings and autoionization widths for the HeH system. These will be used to study a variety of processes ranging from dissociative recombination to mutual neutralization. As an example, we present our results on the direct dissociative excitation of HeH+ by electron impact via excitation to the two lowest excited states of the ion. The results are found to be in good agreement with experiment.

  14. Vibrations and waves

    CERN Document Server

    Kaliski, S

    2013-01-01

    This book gives a comprehensive overview of wave phenomena in different media with interacting mechanical, electromagnetic and other fields. Equations describing wave propagation in linear and non-linear elastic media are followed by equations of rheological models, models with internal rotational degrees of freedom and non-local interactions. Equations for coupled fields: thermal, elastic, electromagnetic, piezoelectric, and magneto-spin with adequate boundary conditions are also included. Together with its companion volume Vibrations and Waves. Part A: Vibrations this work provides a wealth

  15. Some remarks on the selection of exit channels in the theoretical description of dissociative recombination

    Directory of Open Access Journals (Sweden)

    Guberman Steven L.

    2015-01-01

    Full Text Available The need for the careful selection of dissociative routes for inclusion in the theoretical calculation of accurate dissociative recombination (DR cross sections and rate constants is discussed. For total energies corresponding to the sum of the “free” electron energy plus the ion vibrational energy, all neutral diabatic curves that fall between or near the turning points of the highest Rydberg vibrational levels with the same electronic symmetry need to be included in the calculation. This is especially the case if there are several dissociative routes of the same electronic symmetry that satisfy this criterion. Also, care must be exercised in the exclusion of dissociative routes having relatively small electron capture widths. Examples from theoretical studies of the dissociative recombination (DR of N2+ are used as illustrations.

  16. Electron detachment dissociation (EDD) pathways in oligonucleotides

    Science.gov (United States)

    Kinet, Catherine; Gabelica, Valérie; Balbeur, Dorothée; de Pauw, Edwin

    2009-06-01

    Electron detachment dissociation (EDD) and electron photodetachment dissociation (EPD) are two novel fragmentation methods yielding radicals from negatively charged ions. With the goal of comparing EDD, EPD and the more traditional collision-induced dissociation (CID) and infrared multiphoton dissociation (IRMPD) fragmentation processes in oligonucleotides, we studied here the EDD fragmentation pathways of oligonucleotides of varying length. We chose polythymine oligonucleotides because these are the least prone to secondary structure formation, and found complete sequence coverage by EDD for up to dT20. We also found that the fragmentation pathways change with oligonucleotide length: electron detachment is a mandatory step in the fragmentation of larger sequences, while shorter oligonucleotides can also fragment via direct electronic or vibrational excitation by the electrons. This is supported by (1) the fact that continuous ejection of the charge-reduced species does not totally prevent fragmentation of short oligonucleotides dT5 and dT6, (2) the fact that CID and EDD fragments are more similar for small oligonucleotides (although double resonance experiments show that they are not all issued from the same mechanisms), and (3) the fact that electron-induced dissociation (EID) of singly charged dT3 and dT4 gives similar fragments as EDD of doubly charged dT5 and dT6. Finally, the detachment efficiency as a function of the nature of the nucleobase was studied. The effect of base on electron detachment in EDD (G > T > A > C) is different than in EPD (G > A > C > T), indicating different electron loss mechanisms.

  17. Vibrational spectroscopy of the G...C base pair: Experiment, harmonic and anharmonic calculations, and the nature of the anharmonic couplings

    Czech Academy of Sciences Publication Activity Database

    Brauer, B.; Gerber, R. B.; Kabeláč, Martin; Hobza, Pavel; Bakker, J. M.; Abo-Riziq, A.; Vries de, M. S.

    2005-01-01

    Roč. 109, - (2005), s. 6974-6984 ISSN 1089-5639 Grant - others:NSF(US) CHE-0244341 Institutional research plan: CEZ:AV0Z40550506 Keywords : nucleic acids bases * vibrational spectrum * frequencies anharmonicity Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.898, year: 2005

  18. Effect of temperature and solvent composition on acid dissociation equilibria, I: Sequenced {sup s}{sub s}pK{sub a} determination of compounds commonly used as buffers in high performance liquid chromatography coupled to mass spectroscopy detection

    Energy Technology Data Exchange (ETDEWEB)

    Padro, Juan M.; Acquaviva, Agustin; Tascon, Marcos [Laboratorio de Separaciones Analiticas, Division Quimica Analitica, Universidad Nacional de La Plata y CIDEPINT, 47 y 115, (1900) La Plata (Argentina); Gagliardi, Leonardo G., E-mail: leogagliardi@quimica.unlp.edu.ar [Laboratorio de Separaciones Analiticas, Division Quimica Analitica, Universidad Nacional de La Plata y CIDEPINT, 47 y 115, (1900) La Plata (Argentina); Castells, Cecilia B., E-mail: castells@isis.unlp.edu.ar [Laboratorio de Separaciones Analiticas, Division Quimica Analitica, Universidad Nacional de La Plata y CIDEPINT, 47 y 115, (1900) La Plata (Argentina)

    2012-05-06

    Highlights: Black-Right-Pointing-Pointer We developed a rapid potentiometric method for sequential pK{sub a} determinations. Black-Right-Pointing-Pointer We measured pK{sub a} of buffers from 0 to 90% (v/v) acetonitrile/water and from 20 to 60 Degree-Sign C. Black-Right-Pointing-Pointer Sequences of 42 pK{sub a}-data spanned over a wide solvent composition range needed 2 h. Black-Right-Pointing-Pointer We measured pK{sub a} of formic acid and triethylamine/HCl in up to 90% (v/v) acetonitrile. Black-Right-Pointing-Pointer The high-throughput method was applied to obtain pK{sub a} of two common buffers in LC/MS. - Abstract: A new automated and rapid potentiometric method for determining the effect of organic-solvent composition on pK{sub a} has been developed. It is based on the measurements of pH values of buffer solutions of variable solvent compositions using a combined glass electrode. Additions of small volumes of one precisely thermostated solution into another, both containing exactly the same analytical concentrations of the buffer components, can produce continuous changes in the solvent composition. Two sequences of potential measurements, one of increasing and the other of decreasing solvent content, are sufficient to obtain the pK{sub a} values of the acidic compound within the complete solvent-composition range in about 2 h. The experimental design, procedures, and calculations needed to convert the measured pH into the thermodynamic pK{sub a} values are thoroughly discussed. This rapid and automated method allows the systematic study of the effect of solvent compositions and temperatures on the pK{sub a}. It has been applied to study the dissociation constants of two monoprotic acids: formic acid and triethylamine:HCl in acetonitrile/water mixtures within the range from 0 to 90% (v/v) at temperatures between 20 Degree-Sign C and 60 Degree-Sign C. These volatile compounds are frequently used to control the pH of the mobile phase in HPLC, especially in

  19. Somatoform dissociation in depersonalization disorder.

    Science.gov (United States)

    Simeon, Daphne; Smith, Rebecca J; Knutelska, Margaret; Smith, Lisa M

    2008-01-01

    Along with psychoform dissociation, somatoform dissociation has been put forth as a core aspect of dissociative states, possibly as reliable as psychoform dissociation in the screening for dissociative disorders. The goal of this study was to investigate the prominence and correlates of somatoform dissociation in one of the major Diagnostic and Statistical Manual of Mental Disorders (4th ed., text rev.) dissociative disorders, depersonalization disorder (DPD). A total of 54 adults with DPD and 47 healthy control participants free of lifetime Axis I and II disorders were administered the 20-item Somatoform Dissociation Questionnaire (SDQ) as well as the Dissociative Experiences Scale, the Cambridge Depersonalization Scale, and the Childhood Trauma Questionnaire-Short Form. Somatoform dissociation scores were statistically significantly, but clinically only modestly, elevated in the DPD as compared to the healthy control group. SDQ items significantly elevated in the DPD group were mostly perceptual in nature. Depersonalization scores were significantly correlated with somatoform dissociation in the DPD group, whereas absorption and amnesia scores were not. With respect to childhood interpersonal trauma, although emotional abuse was significantly associated with depersonalization severity, none of the 5 categories of trauma were significantly associated with somatoform dissociation in the DPD group. In conclusion, somatoform dissociation is modest in DPD, and the SDQ is a weak instrument for the screening of dissociation in this disorder, detecting only one third of the sample when using the traditional SDQ cutoff score of 30.

  20. Faster water dissociation fluctuations on the surface of Cassiterite

    Science.gov (United States)

    Kumar, Nitin; Kent, Paul; Bandura, Andrei; Cole, David; Wesolowski, David; Kubicki, James; Sofo, Jorge

    2010-03-01

    We investigated water dissociation dynamics on rutile (110) surface (titanium dioxide) and cassiterite (110) surface (tin dioxide) using molecular dynamics simulation. We find that dissociation events occur around five times more frequently on cassiterite compared to rutile. The water on cassiterite surface is found to be closer to the surface due to stronger hydrogen bond formation between water and the surface. The increase in the strength of hydrogen bond is confirmed by a red shift of frequency OH vibrations at the surface. We will provide evidence that the origin of the stronger hydrogen bond on the surface of cassiterite resides in higher covalency between water and the bridging oxygen atoms at the surface.

  1. Monitoring vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Tiryaki, B. [Hacettepe University (Turkey). Dept. of Mining Engineering

    2003-12-01

    The paper examines the prediction and optimisation of machine vibrations in longwall shearers. Underground studies were carried out at the Middle Anatolian Lignite Mine, between 1993 and 1997. Several shearer drums with different pick lacing arrangements were designed and tested on double-ended ranging longwall shearers employed at the mine. A computer program called the Vibration Analysis Program (VAP) was developed for analysing machine vibrations in longwall shearers. Shearer drums that were tested underground, as well as some provided by leading manufacturers, were analyzed using these programs. The results of the experiments and computer analyses are given in the article. 4 refs., 9 figs.

  2. Generation of rotary vibrations in internal combustion engines with elastically coupled electric power systems; Erzeugung von verbrennungsmotorischen Drehschwingungen mit elastisch gekoppelten elektrischen Antrieben

    Energy Technology Data Exchange (ETDEWEB)

    Falkenstein, Jens Werner [Rostock Univ. (Germany). Inst. fuer Antriebstechnik und Mechatronik

    2004-07-01

    The design of motor car powertrains requires simulations as well as prototype tests. For the simulations, prototype parameters must be identified on test rigs, simulation results must be verified, and life tests must be carried out. This necessitates realistic and reproducible excitation of vibrations. Thee book describes the development and construction of a test rig which, with the aid of electric power systems, induces rotary vibrations like those which may occur in internal combustion engines due to gas forces and unbalanced mass forces. In combination with excess resonance, the test stand achieves high dynamics with average rotary momenta up to 600 Nm. The development process is documented, from test stand design with specially developed servo-engines to the control hardware to modelling, control element design, and commissioning. (orig.)

  3. Free and Forced Vibrations of a Shaft and Propeller Using the Couple of Finite Volume Method, Boundary Element Method and Finite Element Method

    OpenAIRE

    E. Yari; H. Ghassemi

    2016-01-01

    The main objective of this paper is to provide an applied algorithm for analyzing propeller-shaft vibrations in marine vessels. Firstly an underwater marine vehicle has been analyzed at different speed in unsteady condition using the finite volume method. Based on the results of this analysis, flow field of marine vehicle (wake of stern) and velocity inlet to the marine propeller  is extracted at different times. Propeller inlet flow field is applied in the boundary element code and usin...

  4. Flow vibration-doubled concentric system coupled with low ratio amine to produce bile acid-macrocapsules of β-cells.

    Science.gov (United States)

    Mooranian, Armin; Negrulj, Rebecca; Al-Salami, Hani

    2016-01-01

    Pancreatic β-cell microencapsulation using sodium alginate (SA), polylornithine (PLO) copolymers, and ultrasoluble hydrogels, polystyrenes and polyallamines (PAA), has been heavily studied. However, long-term success remains limited due to poor macrocapsules' physical properties and cell functions. Our study aimed to incorporate percentages of PAA and ursodeoxycholic acid, into SA and PLO dispersion mixture and examine best microencapsulating methods and best macrocapsules containing β-cells. Microencapsulating parameters were examined and the Flow-Vibrational Nozzle built-in system was screened and found to be most efficient at high frequency (1900 Hz). Macrocapsules were produced with or without ursodeoxycholic acid in percentages: 0.018SA:0.01PLO:0.005PAA:0.04ursodeoxycholic acid (up to 100% H2O). Using the refined microencapsulation method with vibrational frequency of 1900 Hz, macrocapsules with ursodeoxycholic acid had optimized cell viability and biological functions and ameliorated inflammatory biomarkers. High frequency and air-pressure with Flow-Vibrational encapsulation using the mixture: 0.018SA:0.01PLO:0.005PAA:0.04ursodeoxycholic acid resulted in better cell biology suggesting potentials in β-cell transplantation.

  5. Dissociation and psychosis in dissociative identity disorder and schizophrenia.

    Science.gov (United States)

    Laddis, Andreas; Dell, Paul F

    2012-01-01

    Dissociative symptoms, first-rank symptoms of schizophrenia, and delusions were assessed in 40 schizophrenia patients and 40 dissociative identity disorder (DID) patients with the Multidimensional Inventory of Dissociation (MID). Schizophrenia patients were diagnosed with the Structured Clinical Interview for the DSM-IV Axis I Disorders; DID patients were diagnosed with the Structured Clinical Interview for DSM-IV Dissociative Disorders-Revised. DID patients obtained significantly (a) higher dissociation scores; (b) higher passive-influence scores (first-rank symptoms); and (c) higher scores on scales that measure child voices, angry voices, persecutory voices, voices arguing, and voices commenting. Schizophrenia patients obtained significantly higher delusion scores than did DID patients. What is odd is that the dissociation scores of schizophrenia patients were unrelated to their reports of childhood maltreatment. Multiple regression analyses indicated that 81% of the variance in DID patients' dissociation scores was predicted by the MID's Ego-Alien Experiences Scale, whereas 92% of the variance in schizophrenia patients' dissociation scores was predicted by the MID's Voices Scale. We propose that schizophrenia patients' responses to the MID do not index the same pathology as do the responses of DID patients. We argue that neither phenomenological definitions of dissociation nor the current generation of dissociation instruments (which are uniformly phenomenological in nature) can distinguish between the dissociative phenomena of DID and what we suspect are just the dissociation-like phenomena of schizophrenia.

  6. Pathological Dissociation as Measured by the Child Dissociative Checklist

    Science.gov (United States)

    Wherry, Jeffrey N.; Neil, Debra A.; Taylor, Tamara N.

    2009-01-01

    The component structure of the Child Dissociative Checklist was examined among abused children. A factor described as pathological dissociation emerged that was predicted by participants being male. There also were differences in pathological dissociation between groups of sexually abused and physically abused children. Replication of this factor…

  7. Strategic maneuvering with dissociation

    NARCIS (Netherlands)

    van Rees, M.A.

    2006-01-01

    This paper explores the possibilities for strategic maneuvering of the argumentative technique that Perelman and Olbrechts-Tyteca (The New Rhetoric. A Treatise on Argumentation, University of Notre Dame Press, Notre Dame/London, 1969) called dissociation. After an exploration of the general

  8. Dissociative Identity Disorder

    Science.gov (United States)

    Schmidt, Tom

    2007-01-01

    Few psychological disorders in the Diagnostic Statistical Manual have generated as much controversy as Dissociative Identity Disorder (DID). For the past 35 years diagnoses of DID, previously referred to as Multiple Personality Disorder (MPD), have increased exponentially, causing various psychological researchers and clinicians to question the…

  9. Dissociation by acceleration

    NARCIS (Netherlands)

    Peeters, K.; Zamaklar, m.

    2008-01-01

    We show that mesons, described using rotating relativistic strings in a holographic setup, undergo dissociation when their acceleration 'a' exceeds a value which scales with the angular momentum 'J' as a_max ~ \\sqrt{T_s/J}, where 'T_s' is the string tension.

  10. The eΠ3g state of C2: A pathway to dissociation

    Science.gov (United States)

    Welsh, B. A.; Krechkivska, O.; Nauta, K.; Bacskay, G. B.; Kable, S. H.; Schmidt, T. W.

    2017-07-01

    The lowest 13 vibrational levels, v = 0-12, of the eΠ3g state of the C2 molecule have been measured by laser-induced fluorescence of new bands of the Fox-Herzberg system. The newly observed levels, v = 5-12, which span the eΠ3g electronic state up to and beyond the first dissociation threshold of C2, were analyzed to afford highly accurate molecular constants, including band origins, and rotational and spin-orbit constants. The spin-orbit coupling constants of the previously published lowest five levels are revised in sign and magnitude, requiring an overhaul of previously published molecular constants. The analysis is supported by high level ab initio calculations. Lifetimes of all observed levels were recorded and found to be in excellent agreement with ab initio predicted values up to v = 11. v = 12 was found to exhibit a much reduced lifetime and fluorescence quantum yield, which is attributed to the onset of predissociation. This brackets the dissociation energy of ground state XΣ+1g C2 between 6.1803 and 6.2553 eV, in agreement with the Active Thermochemical Tables.

  11. Vibrational Diver

    Science.gov (United States)

    Kozlov, Victor; Ivanova, Alevtina; Schipitsyn, Vitalii; Stambouli, Moncef

    2014-10-01

    The paper is concerned with dynamics of light solid in cavity with liquid subjected to rotational vibration in the external force field. New vibrational phenomenon - diving of a light cylinder to the cavity bottom is found. The experimental investigation of a horizontal annulus with a partition has shown that under vibration a light body situated in the upper part of the layer is displaced in a threshold manner some distance away from the boundary. In this case the body executes symmetric tangential oscillations. An increase of the vibration intensity leads to a tangential displacement of the body near the external boundary. This displacement is caused by the tangential component of the vibrational lift force, which appears as soon as the oscillations lose symmetry. In this case the trajectory of the body oscillatory motion has the form of a loop. The tangential lift force makes stable the position of the body on the inclined section of the layer and even in its lower part. A theoretical interpretation has been proposed, which explains stabilization of a quasi-equilibrium state of a light body near the cavity bottom in the framework of vibrational hydromechanics.

  12. Quasi-classical trajectories study of Ne2Br2(B) vibrational predissociation: Kinetics and product distributions

    CERN Document Server

    Arbelo-González, Wilmer; Reed, Stewart K; Rubayo-Soneira, Jesús; Shalashilin, Dmitrii V

    2011-01-01

    The vibrational predissociation of the Ne2Br2(B) van der Waals complex has been investigated using the quasi-classical trajectory method (QCT), in the range of vibrational levels v' = 16-23. Extensive comparison is made with the most recent experimental observations [Pio et al., J. Chem. Phys. 133, 014305 (2010)], molecular dynamics with quantum transitions (MDQT) simulations [Miguel et al., Faraday Discuss. 118, 257 (2001)], and preliminary results from 24-dimensional Cartesian coupled coherent state (CCCS) calculations. A sequential mechanism is found to accurately describe the theoretical dynamical evolution of intermediate and final product populations, and both QCT and CCCS provide very good estimates for the dissociation lifetimes. The capabilities of QCT in the description of the fragmentation kinetics is analyzed in detail by using reduced-dimensionality models of the complexes and concepts from phase-space transport theory. The problem of fast decoupling of the different coherent states in CCCS simul...

  13. Three dimensions of dissociative amnesia.

    Science.gov (United States)

    Dell, Paul F

    2013-01-01

    Principal axis factor analysis with promax rotation extracted 3 factors from the 42 memory and amnesia items of the Multidimensional Inventory of Dissociation (MID) database (N = 2,569): Discovering Dissociated Actions, Lapses of Recent Memory and Skills, and Gaps in Remote Memory. The 3 factors' shared variance ranged from 36% to 64%. Construed as scales, the 3 factor scales had Cronbach's alpha coefficients of .96, .94, and .93, respectively. The scales correlated strongly with mean Dissociative Experiences Scale scores, mean MID scores, and total scores on the Structured Clinical Interview for DSM-IV Dissociative Disorders-Revised (SCID-D-R). What is interesting is that the 3 amnesia factors exhibited a range of correlations with SCID-D-R Amnesia scores (.52, .63, and .70, respectively), suggesting that the SCID-D-R Amnesia score emphasizes gaps in remote memory over amnesias related to dissociative identity disorder. The 3 amnesia factor scales exhibited a clinically meaningful pattern of significant differences among dissociative identity disorder, dissociative disorder not otherwise specified-1, dissociative amnesia, depersonalization disorder, and nonclinical participants. The 3 amnesia factors may have greater clinical utility for frontline clinicians than (a) amnesia as discussed in the context of the Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition, nosology of the dissociative disorders or (b) P. Janet's (1893/1977 ) 4-fold classification of dissociative amnesia. The author recommends systematic study of the phenomenological differences within specific dissociative symptoms and their differential relationship to specific dissociative disorders.

  14. Second OH overtone excitation and statistical dissociation dynamics of peroxynitrous acid

    Science.gov (United States)

    Konen, Ian M.; Li, Eunice X. J.; Stephenson, Thomas A.; Lester, Marsha I.

    2005-11-01

    The second OH overtone transition of the trans-perp conformer of peroxynitrous acid (tp-HOONO) is identified using infrared action spectroscopy. HOONO is produced by the recombination of photolytically generated OH and NO2 radicals, and then cooled in a pulsed supersonic expansion. The second overtone transition is assigned to tp-HOONO based on its vibrational frequency (10195.3cm-1) and rotational band contour, which are in accord with theoretical predictions and previous observations of the first overtone transition. The transition dipole moment associated with the overtone transition is rotated considerably from the OH bond axis, as evident from its hybrid band composition, indicating substantial charge redistribution upon OH stretch excitation. The overtone band exhibits homogeneous line broadening that is attributed to intramolecular vibrational redistribution, arising from the coupling of the initially excited OH stretch to other modes that ultimately lead to dissociation. The quantum state distributions of the OH XΠ2 (ν =0) products following first and second OH overtone excitation of tp-HOONO are found to be statistical by comparison with three commonly used statistical models. The product state distributions are principally determined by the tp-HOONO binding energy of 16.2(1)kcalmol-1. Only a small fraction of the OH products are produced in ν =1 following the second overtone excitation, consistent with statistical predictions.

  15. Dissociative electron attachment to HBr: A temperature effect

    OpenAIRE

    Fedor, Juraj; Cingel, M.; Skalný, J. D.; Scheier, P.; Märk, T.D.; Čížek, M.; Kolorenč, P.; Horáček, J

    2007-01-01

    The effects of rovibrational temperature on dissociative electron attachment to hydrogen bromide has been investigated from the experimental and theoretical point of view. Theoretical calculations based on the nonlocal resonance model predict a strong temperature effect on the Br⁻ fragment ion yield due to population of higher vibrational and rotational states. A crossed beam experimental setup consisting of a temperature controlled effusive molecular beam and a trochoidal electron monochroma...

  16. Dissociation of methane hydrate granules

    Science.gov (United States)

    Misyura, S. Y.; Donskoy, I. G.; Morozov, V. S.

    2017-09-01

    The methane hydrate dissociation at negative temperatures and under external pressure of 1 bar is studied experimentally. It is shown that the dissociation rate of the gas hydrate depends on the granule diameter and heat transfer. The dissociation curve has an extremum. The dissociation rate initially increases due to the temperature increase and reaches the maximum value and then sharply falls due to the curvature of the granules. When describing dissociation kinetics of the spherical granules, it is important to take into account the granule size and their composition.

  17. Blade Vibration Measurement System

    Science.gov (United States)

    Platt, Michael J.

    2014-01-01

    The Phase I project successfully demonstrated that an advanced noncontacting stress measurement system (NSMS) could improve classification of blade vibration response in terms of mistuning and closely spaced modes. The Phase II work confirmed the microwave sensor design process, modified the sensor so it is compatible as an upgrade to existing NSMS, and improved and finalized the NSMS software. The result will be stand-alone radar/tip timing radar signal conditioning for current conventional NSMS users (as an upgrade) and new users. The hybrid system will use frequency data and relative mode vibration levels from the radar sensor to provide substantially superior capabilities over current blade-vibration measurement technology. This frequency data, coupled with a reduced number of tip timing probes, will result in a system capable of detecting complex blade vibrations that would confound traditional NSMS systems. The hardware and software package was validated on a compressor rig at Mechanical Solutions, Inc. (MSI). Finally, the hybrid radar/tip timing NSMS software package and associated sensor hardware will be installed for use in the NASA Glenn spin pit test facility.

  18. CO2 Dissociation using the Versatile Atmospheric Dielectric Barrier Discharge Experiment (VADER

    Directory of Open Access Journals (Sweden)

    Michael Allen Lindon

    2014-09-01

    Full Text Available Dissociation of CO2 is investigated in an atmospheric pressure dielectric barrier discharge (DBD with a simple, zero dimensional (0-D chemical model and through experiment. The model predicts that the primary CO2 dissociation pathway within a DBD is electron impact dissociation and electron-vibrational excitation. The relaxation kinetics following dissociation are dominated by atomic oxygen chemistry. The experiments included investigating the energy efficiencies and dissociation rates of CO2 within a planar DBD, while the gas flow rate, voltage, gas composition, driving frequency, catalyst, and pulse modes were varied. Some of the VADER results include a maximum CO2 dissociation energy efficiency of 2.5 +/- 0.5%, a maximum CO$_2$ dissociation rate of 4 +/- 0.4*10^-6 mol CO2/s (5 +/- 0.5% percent dissociation, discovering that a resonant driving frequency of ~30 kHz, dependent on both applied voltage and breakdown voltage, is best for efficient CO2 dissociation and that TiO2, a photocatalyst, improved dissociation efficiencies by an average of 18% at driving frequencies above 5 kHz.

  19. Biobjective Optimization of Vibration Performance of Steel-Spring Floating Slab Tracks by Four-Pole Parameter Method Coupled with Ant Colony Optimization

    Directory of Open Access Journals (Sweden)

    Hao Jin

    2015-01-01

    Full Text Available Steel-spring floating slab tracks are one of the most effective methods to reduce vibrations from underground railways, which has drawn more and more attention in scientific communities. In this paper, the steel-spring floating slab track located in Track Vibration Abatement and Control Laboratory was modeled with four-pole parameter method. The influences of the fastener damping ratio, the fastener stiffness, the steel-spring damping ratio, and the steel-spring stiffness were researched for the rail displacement and the foundation acceleration. Results show that the rail displacement and the foundation acceleration will decrease with the increase of the fastener stiffness or the steel-spring damping ratio. However, the rail displacement and the foundation acceleration have the opposite variation tendency for the fastener damping ratio and the steel-spring stiffness. In order to optimize the rail displacement and the foundation acceleration affected by the fastener damping ratio and the steel-spring stiffness at the same time, a multiobjective ant colony optimization (ACO was employed. Eventually, Pareto optimal frontier of the rail displacement and the foundation acceleration was derived. Furthermore, the desirable values of the fastener damping ratio and the steel-spring stiffness can be obtained according to the corresponding Pareto optimal solution set.

  20. Dissociative and non-dissociative photoionization of molecular fluorine from inner and valence shells

    Energy Technology Data Exchange (ETDEWEB)

    Ayuso, D.; Palacios, A. [Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid (Spain); Decleva, P. [Dipartimento di Scienze Chimiche e Farmaceutiche, Università di Trieste, 34127 Trieste (Italy); CNR-IOM, Trieste (Italy); Martín, F., E-mail: fernando.martin@uam.es [Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid (Spain); Instituto Madrileño de Estudios Avanzados en Nanociencia, Cantoblanco, 28049 Madrid (Spain)

    2014-08-15

    Highlights: • We theoretically analyze the angle-integrated photoionization cross sections of the fluorine molecule, which have been computed up to hundreds of eV using a DFT-like methodology that takes into account the nuclear degrees of freedom. • We have considered electron ejection from all the molecular orbitals and found that the corresponding cross sections show an oscillatory behavior as a function of the photoelectron momentum, which is the result of the double-slit type interferences. • We further compute dissociative and non-dissociative ionization channels. • Dissociative ionization is negligible in other diatomic molecules such N{sub 2} or CO, whereas is visible for F{sub 2} when the electron is ejected from the 1u or the 3σ{sub g} molecular orbitals. - Abstract: We present a theoretical study of F{sub 2} photoionization in the range 0–40 a.u. of photoelectron energy, where the undulatory behavior of the corresponding angle-integrated cross sections due to electron emission from equivalent centers is apparent. These double-slit type interferences are observed in both inner- and valence-shell ionization. We analyze confinement effects that appear at given energies when the electron is ejected parallel to the molecular axis. Since we account for the nuclear degrees of freedom, we evaluate and discuss the vibrationally resolved cross sections, including both dissociative and non-dissociative ionization channels. We also analyze the ratios between the latter cross sections and the relationship between the observed oscillations and the structure of the molecule.

  1. Quenching of self-excited vibrations

    NARCIS (Netherlands)

    Verhulst, F.

    2005-01-01

    Stable normal-mode vibrations in engineering can be undesirable and one of the possibilities for quenching these is by embedding the oscillator in an autoparametric system by coupling to a damped oscillator. There exists the possibility of destabilizing the undesirable vibrations by a suitable

  2. Good vibrations. [Hydraulic turbines

    Energy Technology Data Exchange (ETDEWEB)

    Reynolds, P.

    1994-07-01

    The latest developments in the Voith Turbine Control and Automation System (VTLS), which couples digital control technology to hydropower plant equipment, are described. Prominent among these is the vibration diagnostics module for hydraulic turbines. It provides machine-specific diagnostic logic for a vibration monitoring and analysis system. Of the two other VTLS modules described, the operation module optimizes the control of a power plant with three or more turbines by considering the individual properties of each in turn, recommending which should be run, and how, in order to partition the load for a required power output. The cavitation module is a diagnostic system which enables the limits of operation of the turbines to be extended to bands just outside those determined by cavitation calculations. (3 figures). (UK)

  3. Vibrating minds

    CERN Document Server

    2009-01-01

    Ed Witten is one of the leading scientists in the field of string theory, the theory that describes elementary particles as vibrating strings. This week he leaves CERN after having spent a few months here on sabbatical. His wish is that the LHC will unveil supersymmetry.

  4. Vibrationally cold CO{sup 2+} probed by intense femtosecond laser pulses

    Energy Technology Data Exchange (ETDEWEB)

    McKenna, J; Sayler, A M; Gaire, B; Johnson, Nora G; Zohrabi, M; Anis, F; Carnes, K D; Esry, B D; Ben-Itzhak, I [J. R. Macdonald Laboratory, Physics Department, Kansas State University, Manhattan, Kansas 66506 (United States); Lev, U, E-mail: ibi@phys.ksu.ed [Department of Particle Physics, Weizmann Institute of Science, Rehovot, 76100 (Israel)

    2009-11-01

    Using a novel approach, we produce a vibrationally cold CO{sup 2+} beam for study in an intense ultrashort laser field. We observe perpendicular dissociation of the simple two-level CO v = 0 ion, and above-threshold dissociation peaks spaced by the photon energy.

  5. Products of Dissociative Recombination in the Ionosphere

    Science.gov (United States)

    Cosby, Philip

    1996-01-01

    SRI International undertook a novel experimental measurement of the product states formed by dissociative recombination (DR) of O2(+), NO(+), and N2(+) as a function of both electron energy and reactant ion vibrational level. For these measurements we used a recently developed experimental technique for measuring dissociation product distributions that allows both the branching ratios to be accurately determined and the electronic and rovibrational state composition of the reactant ions to be specified. DR is the dominant electron loss mechanism in all regions of the ionosphere. In this process, electron attachment to the molecular ion produces an unstable neutral molecule that rapidly dissociates. For a molecular ion such as O2(+), the dissociation recombination reaction is (1) O2(+) + e yields O + O + W. The atomic products of this reaction, in this case two oxygen atoms, can be produced in a variety of excited states and with a variety of kinetic energies, as represented by W in Eq. (1). These atoms are not only active in the neutral chemistry of the ionosphere, but are also especially important because their optical emissions are often used to infer in situ concentrations of the parent molecular ion and ambient electron densities. Many laboratory measurements have been made of DR reaction rates under a wide range of electron temperatures, but very little is known about the actual distributions among the final states of the atomic products. This lack of knowledge seriously limits the validity and effectiveness of efforts to model both natural and man-made ionospheric disturbances. Bates recently identified major deficiencies in the currently accepted branching ratios for O2(+) as they relate to blue and green line emission measurements in the nocturnal F-region. During our two-year effort, we partially satisfied our ambitious goals. We constructed and operated a variable pressure, electron-impact ion source and a high pressure, hollow-cathode discharge ion

  6. Vibration Damping Circuit Card Assembly

    Science.gov (United States)

    Hunt, Ronald Allen (Inventor)

    2016-01-01

    A vibration damping circuit card assembly includes a populated circuit card having a mass M. A closed metal container is coupled to a surface of the populated circuit card at approximately a geometric center of the populated circuit card. Tungsten balls fill approximately 90% of the metal container with a collective mass of the tungsten balls being approximately (0.07) M.

  7. Dissociation dynamics of transient anion formed via electron attachment to sulfur dioxide

    Science.gov (United States)

    Gope, K.; Prabhudesai, V. S.; Mason, N. J.; Krishnakumar, E.

    2017-08-01

    We report the molecular dynamics of dissociative electron attachment to sulfur dioxide (SO2) by measuring the momentum distribution of fragment anions using the velocity slice imaging technique in the electron energy range of 2-10 eV. The S- channel results from symmetric dissociation which exhibits competition between the stretch mode and bending mode of vibration in the excited parent anion. The asymmetric dissociation of parent anions leads to the production of O- and SO- channels where the corresponding neutral fragments are formed in their ground as well as excited electronic states. We also identify that internal excitation of SO- is responsible for its low yield at higher electron energies.

  8. Multidimensional Potential Energy Surface for H2 Dissociation over Cu(111)

    DEFF Research Database (Denmark)

    Hammer, Bjørk; Scheffler, Matthias; Jacobsen, Karsten Wedel

    1994-01-01

    We present ab initio density functional calculations within the generalized gradient approximation for H-2 dissociating over Cu(111). The minimum barrier for dissociation is 0.5 eV and shows large corrugation within the unit cell and a strong dependence on the molecular orientation. Dissociation ...... is predicted to depend strongly on translational, vibrational, and rotational degrees of freedom in accordance with experiment. We show that even for a noble metal, the d electrons are important for the molecule-surface interaction....

  9. CO adsorption and dissociation on Pt(111) and Ni(111) surfaces

    DEFF Research Database (Denmark)

    Morikawa, Y.; Mortensen, Jens Jørgen; Hammer, Bjørk

    1997-01-01

    CO adsorption and dissociation processes have been studied using first-principles total energy and force calculations. The adsorption energies, atomic structures and vibrational modes of molecularly chemisorbed states are well reproduced in the present calculations. We have examined several...... possible dissociation paths of CO on Pt(111) and Ni(111) surfaces. The dissociation energy barrier of CO on the Ni(111) surface is much smaller than that on the Pt(111) surface, in agreement with experimental results. (C) 1997 Elsevier Science B.V....

  10. Recurrent Dissociative Fugue

    OpenAIRE

    Abhishek Mamarde; Praveen Navkhare; Amrita Singam; Akash Kanoje

    2013-01-01

    Dissociative fugue is a rarely reported diagnostic entity. It is one of the least understood and yet clinically one of the most fascinating disorders in mental health. Here, we describe a case of fugue in a 32-year-old man who was brought to mental hospital with complete loss of memory for events pertaining to identity of self. This case illustrates the nature of presentation in hospital setting like mental hospital and effort taken to reintegrate his identity and reunite with his family.

  11. Dissociative Experiences in Psychiatric Inpatients

    OpenAIRE

    Ali Firoozabadi; Nooshin Reza Alizadeh

    2016-01-01

    Dissociative disorders are conditions that involve disruptions of memory, awareness, identity, or perception. Data collected in diverse geographic locations underline the consistency in clinical symptoms of dissociative disorders. In this cross-sectional descriptive study, prevalence of dissociative experiences has been screened in hospitalized patients in psychiatric wards of Shiraz University of Medical Sciences in Iran. One hundred and sixty patients in two hospitals entered the study. Our...

  12. DIFFRACTION DISSOCIATION - 50 YEARS LATER.

    Energy Technology Data Exchange (ETDEWEB)

    WHITE, S.N.

    2005-04-27

    The field of Diffraction Dissociation, which is the subject of this workshop, began 50 years ago with the analysis of deuteron stripping in low energy collisions with nuclei. We return to the subject in a modern context- deuteron dissociation in {radical}s{sub NN} = 200 GeV d-Au collisions recorded during the 2003 RHIC run in the PHENIX experiment. At RHIC energy, d {yields} n+p proceeds predominantly (90%) through Electromagnetic Dissociation and the remaining fraction via the hadronic shadowing described by Glauber. Since the dissociation cross section has a small theoretical error we adopt this process to normalize other cross sections measured in RHIC.

  13. Dissociative State and Competence

    Directory of Open Access Journals (Sweden)

    Yu-Ju Lin

    2007-10-01

    Full Text Available This report presents the results of forensic evaluation of the civil competence of a case of alleged dissociative identity disorder (DID and discusses whether such dissociative states substantially jeopardize civil competence. A 40-year-old woman claimed that she had had many personalities since her college days. From the age of 37 to 40, she shopped excessively, which left her with millions of dollars of debt. She ascribed her shopping to a certain identity state, over which she had no control. (In this article, we use the term identity state to replace personality as an objective description of a mental state. She thus raised the petition of civil incompetence. During the forensic evaluation, it was found that the identity states were relatively stable and mutually aware of each other. The switch into another identity state was sometimes under voluntary control. The subject showed consistency and continuity in behavioral patterns across the different identity states, and no matter which identity state she was in, there was no evidence of impairment in her factual knowledge of social situations and her capacity for managing personal affairs. We hence concluded that she was civilly competent despite the claimed DID. Considering that the existence and diagnosis of DID are still under dispute and a diagnosis of DID alone is not sufficient to interdict a person's civil right, important clinical and forensic issues remain to be answered.

  14. Hyperglycemia associated dissociative fugue (organic dissociative disorder in an elderly

    Directory of Open Access Journals (Sweden)

    Dushad Ram

    2015-01-01

    Full Text Available Inadequate glycemic control in patients with diabetes is known to be associated with psychiatric disorders such as depression, anxiety disorder, and cognitive impairment. However, dissociative syndrome has not been reported so far. Here we are reporting a case of repeated dissociative fugue associated with hyperglycemia, in an elderly with type II diabetes. Possible neurobiological mechanism has been discussed.

  15. An approach for the assessment of the statistical aspects of the SEA coupling loss factors and the vibrational energy transmission in complex aircraft structures: Experimental investigation and methods benchmark

    Science.gov (United States)

    Bouhaj, M.; von Estorff, O.; Peiffer, A.

    2017-09-01

    In the application of Statistical Energy Analysis ;SEA; to complex assembled structures, a purely predictive model often exhibits errors. These errors are mainly due to a lack of accurate modelling of the power transmission mechanism described through the Coupling Loss Factors (CLF). Experimental SEA (ESEA) is practically used by the automotive and aerospace industry to verify and update the model or to derive the CLFs for use in an SEA predictive model when analytical estimates cannot be made. This work is particularly motivated by the lack of procedures that allow an estimate to be made of the variance and confidence intervals of the statistical quantities when using the ESEA technique. The aim of this paper is to introduce procedures enabling a statistical description of measured power input, vibration energies and the derived SEA parameters. Particular emphasis is placed on the identification of structural CLFs of complex built-up structures comparing different methods. By adopting a Stochastic Energy Model (SEM), the ensemble average in ESEA is also addressed. For this purpose, expressions are obtained to randomly perturb the energy matrix elements and generate individual samples for the Monte Carlo (MC) technique applied to derive the ensemble averaged CLF. From results of ESEA tests conducted on an aircraft fuselage section, the SEM approach provides a better performance of estimated CLFs compared to classical matrix inversion methods. The expected range of CLF values and the synthesized energy are used as quality criteria of the matrix inversion, allowing to assess critical SEA subsystems, which might require a more refined statistical description of the excitation and the response fields. Moreover, the impact of the variance of the normalized vibration energy on uncertainty of the derived CLFs is outlined.

  16. On the mechanical coupling of a fiber optic cable used for distributed acoustic/vibration sensing applications—a theoretical consideration

    Science.gov (United States)

    Reinsch, Thomas; Thurley, Tom; Jousset, Philippe

    2017-12-01

    In recent years, fiber optic cables are increasingly used for the acquisition of dynamic strain changes for seismic surveys. When considering seismic amplitudes, one of the first questions arising is the mechanical coupling between optical fiber and the surrounding medium. Here we analyse the interaction of ground movement with a typical telecom-grade fiber optic cable from an existing telecommunication network deployed in a sand filled trench at the surface. Within the cable, the optical fiber is embedded in a gel-filled plastic tube. We apply Hooke’s law to calculate the stress needed to strain the optical fiber throughout the cable structure. In case the stress magnitude at the cable–sand interface as well as the gel–optical fiber interface is below the yield strength of the respective material, sand and gel, it can be regarded as an elastic medium. Hence, a multilayer radial symmetric model can be used to calculate the coupling of the optical fiber with the surrounding medium. We show that the transfer function has a -3 dB lower cut-off wavelength of about 22 m. The magnitude response of this telecom-grade fiber optic cable is therefore almost perfect at typical low frequency seismic waves. The approach presented here can be applied to various cable designs to estimate the strain transfer between ground movement and an optical fiber.

  17. First-principles quantum dynamical theory for the dissociative chemisorption of H2O on rigid Cu(111).

    Science.gov (United States)

    Zhang, Zhaojun; Liu, Tianhui; Fu, Bina; Yang, Xueming; Zhang, Dong H

    2016-06-10

    Despite significant progress made in the past decades, it remains extremely challenging to investigate the dissociative chemisorption dynamics of molecular species on surfaces at a full-dimensional quantum mechanical level, in particular for polyatomic-surface reactions. Here we report, to the best of our knowledge, the first full-dimensional quantum dynamics study for the dissociative chemisorption of H2O on rigid Cu(111) with all the nine molecular degrees of freedom fully coupled, based on an accurate full-dimensional potential energy surface. The full-dimensional quantum mechanical reactivity provides the dynamics features with the highest accuracy, revealing that the excitations in vibrational modes of H2O are more efficacious than increasing the translational energy in promoting the reaction. The enhancement of the excitation in asymmetric stretch is the largest, but that of symmetric stretch becomes comparable at very low energies. The full-dimensional characterization also allows the investigation of the validity of previous reduced-dimensional and approximate dynamical models.

  18. Fragmentation of H+2 in strong 800-nm laser pulses: Initial-vibrational-state dependence

    Science.gov (United States)

    Feuerstein, Bernold; Thumm, Uwe

    2003-04-01

    The fragmentation of the H+2 molecular ion in 25-fs, 800-nm laser pulses in the intensity range 0.05 0.5 P W/cm2 is investigated by means of wave-packet propagation calculations. We use a collinear reduced-dimensionality model that represents both the nuclear and electronic motion by one degree of freedom including non-Born-Oppenheimer couplings. In order to reproduce accurately the properties of the “real” three-dimensional molecule, we introduce a modified “soft-core” Coulomb potential with a softening function that depends on the internuclear distance. The analysis of the calculated flux of the outgoing wave packets allows us to obtain fragmentation probabilities and kinetic-energy spectra. Our results show that the relative probabilities for dissociation and Coulomb explosion depend critically on the initial vibrational state of the molecular ion.

  19. Urban vibrations

    DEFF Research Database (Denmark)

    Morrison, Ann; Knudsen, L.; Andersen, Hans Jørgen

    2012-01-01

      lab   studies   in   that   we   found   a   decreased   detection   rate   in   busy   environments.   Here   we   test   with   a   much   larger   sample   and   age   range,   and   contribute   with   the   first   vibration  sensitivity  testing  outside  the  lab  in  an  urban   public...

  20. Electron energy-dependent product state distributions in the dissociative recombination of O2+

    NARCIS (Netherlands)

    Petrignani, A.; Hellberg, F.; Thomas, R.; Larsson, M.; Cosby, P.C.; Zande, W.J. van der

    2005-01-01

    We present product state distributions and quantum yields from the dissociative recombination reaction of O-2(+) in its electronic and vibrational ground states as a function of electron collision energy between 0 and 300 meV. The experiments have been performed in the heavy-ion storage ring,

  1. Childhood Trauma and Dissociation in Schizophrenia

    National Research Council Canada - National Science Library

    Sar, Vedat; Taycan, Okan; Bolat, Nurullah; Özmen, Mine; Duran, Alaattin; Öztürk, Erdinç; Ertem-Vehid, Hayriye

    .... Sampling and Methods: Seventy patients with a schizophrenic disorder were evaluated using the Structured Clinical Interview for DSM-IV, Dissociative Experiences Scale, Dissociative Disorders Interview Schedule, Positive...

  2. State-specific dissociation in O2-O2 collisions by quasiclassical trajectory method

    Science.gov (United States)

    Andrienko, Daniil A.; Boyd, Iain D.

    2017-07-01

    State-specific dissociation rate coefficients of oxygen in collisions with another oxygen molecule are obtained using the quasiclassical trajectory method on a six-dimensional potential energy surface at high temperatures characteristic of hypersonic flows. The present results indicate that O2-O2 rate coefficients can not be obtained by a simple scaling of a simpler O2-O dataset. A difference is observed between the present rate coefficients and those obtained via the preferential dissociation and forced harmonic oscillator models. Depletion via an exchange mechanism significantly contributes to the total dissociation rate at low temperatures and at low vibrational energies. The new set of rate coefficients is used in a one-dimensional shock flow simulation. The computed vibrational temperature is then compared to data obtained by absorption spectroscopy in the Schumann-Runge bands. A better agreement with the experimental data is achieved at moderate levels of nonequilibrium when the new dataset is implemented.

  3. Internal rotation, spin-orbit coupling, and low-frequency vibrations in the ? ground state of CH3-CC-CH+3 and CD3-CC-CD+3

    Science.gov (United States)

    Jacovella, Ugo; Gans, Bérenger; Merkt, Frédéric

    2015-08-01

    Pulsed-field-ionisation zero-kinetic-energy (PFI-ZEKE) photoelectron spectra of 2-butyne (CH3-CC-CH3) and its fully deuterated isotopomer have been recorded in the region of the origin band of the ? ionising transition. The spectral congestion originating from the combined effects of the internal rotation of the methyl groups, the spin-orbit coupling, and the Jahn-Teller effect prevented the full resolution of the rotational structure of the photoelectron spectra. A tentative analysis of the rotational branch structure of the photoelectron spectra using rovibronic photoionisation selection rules derived in the permutation-inversion spin double group G36(M2) suggests a splitting of ∼10.5 cm-1 between the two spin-orbit components E3/2 and E1/2 of the ? 2 E1 ground state and an almost free internal rotation of the methyl groups in the cations. Assignments are proposed for several low-lying vibrational levels of the cations.

  4. Are major dissociative disorders characterized by a qualitatively different kind of dissociation?

    Science.gov (United States)

    Rodewald, Frauke; Dell, Paul F; Wilhelm-Gossling, Claudia; Gast, Ursula

    2011-01-01

    A total of 66 patients with a major dissociative disorder, 54 patients with nondissociative disorders, and 30 nonclinical controls were administered the Structured Clinical Interview for DSM-IV Dissociative Disorders-Revised, the Dissociative Experiences Scale, the Multidimensional Inventory of Dissociation, and the Symptom Checklist 90-Revised. Dissociative patients reported significantly more dissociative and nondissociative symptoms than did nondissociative patients and nonclinical controls. When general psychopathology was controlled, the dissociation scores of dissociative patients were still significantly higher than those of both other groups, whereas the dissociation scores of nondissociative patients and nonclinical controls no longer differed. These findings appear to be congruent with a typological model of dissociation that distinguishes between 2 qualitatively different kinds of dissociation. Specifically, the results of this study suggest that the dissociation that occurs in major dissociative disorders (i.e., dissociative identity disorder [DID] and dissociative disorder not otherwise specified, Type 1 [DDNOS-1]) is qualitatively different from the dissociation that occurs in persons who do not have a dissociative disorder. In contrast to previous research, the dissociation of persons who do not have a dissociative disorder is not limited to absorption; it covers a much wider range of phenomena. The authors hypothesize that different mechanisms produce the dissociation of persons with DID and DDNOS-1 as opposed to the dissociation of persons who do not have a dissociative disorder.

  5. Photofragmentation spectroscopy of stored molecular ions at the dissociation limit; Photofragmentationsspektroskopie gespeicherter Molekuelionen an der Dissoziationsschwelle

    Energy Technology Data Exchange (ETDEWEB)

    Hechtfischer, U.

    2000-07-01

    Photofragmentation spectroscopy is a sensitive probe for nonadiabatic interactions in molecular dissociation, but for molecular ions detection and analysis of spectra are often hampered by the internal excitations of the ion beam. Therefore, near-threshold photofragmentation of CH{sup +} and OH{sup +} was studied in a heavy-ion storage ring where the ions rovibronically relax to room temperature within a few seconds. In the CH{sup +} spectrum, the Feshbach resonances between the fine-structure levels of the C{sup +} fragment were observed for the first time, the complex lineshapes indicating strong nonadiabatic couplings between the potentials. By a standard single-channel analysis, the spectrum was partially assigned and a more precise dissociation energy was deduced. The complete analysis was possible by multichannel close-coupling calculations only and yielded the vibrational defects of all coupled potentials. Furthermore, improved empirical potentials were constructed by an IPA approach, and conclusions on the reverse radiative association process in interstellar clouds were drawn. In OH{sup +}, numerous photofragmentation resonances were observed for both neutral and ionic oxygen fragments and assigned to the highest bound levels of the A{sup 3}II curve. In contrast to CH{sup +}, OH{sup +} hardly shows any multichannel behavior. (orig.) [German] Photofragmentationsspektroskopie ist eine empfindliche Sonde fuer nichtadiabatische Wechselwirkungen bei der Dissoziation von Molekuelen, aber bei Molekuelionen erschweren haeufig die internen Anregungen des Ionenstrahls Messung und Analyse der Spektren. Deshalb wurde hier die schwellennahe Photofragmentation von CH{sup +}- und OH{sup +}-Molekuelionen in einem Schwerionenspeicherring untersucht, wo die Ionen rovibronisch innerhalb von Sekunden Raumtemperatur annehmen. Im CH{sup +}-Spektrum wurden so erstmals die Feshbach-Resonanzen zwischen den Feinstrukturniveaus des C{sup +}-Fragments direkt beobachtet, deren

  6. Theory of vibration protection

    CERN Document Server

    Karnovsky, Igor A

    2016-01-01

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

  7. Dissociative Tendencies and Traffic Incidents

    Directory of Open Access Journals (Sweden)

    Valle, Virginia

    2012-01-01

    Full Text Available This paper analyses the relationship between dissociative experiences and road traffic incidents (crashes and traffic tickets in drivers (n=295 from Mar del Plata (Argentina city. A self-report questionnaire was applied to assess traffic crash involvement and sociodemographic variables. Dissociative tendencies were assessed by a modified version of the DES scale. To examine differences in DES scores tests of the difference of means were applied. Drivers who reported to be previously involved in traffic incidents obtained higher puntuations in the dissociative experiences scale than drivers who did not report such events. This result is observed for the total scale and for the three sub-scales (absorption, amnesia and depersonalization. However, differences appeared mainly for minor damage collisions. Further studies are needed to evaluate the role of dissociative tendencies as a risk factor in road traffic safety.

  8. Vibrational Cooling in A Cold Ion Trap: Vibrationally Resolved Photoelectron Spectroscopy of Cold C60- Anions

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xue B.; Woo, Hin-koon; Wang, Lai S.

    2005-08-01

    We demonstrate vibrational cooling of anions via collisions with a background gas in an ion trap attached to a cryogenically controlled cold head (10 ? 400 K). Photoelectron spectra of vibrationally cold C60- anions, produced by electrospray ionization and cooled in the cold ion trap, have been obtained. Relative to spectra taken at room temperature, vibrational hot bands are completely eliminated, yielding well resolved vibrational structures and a more accurate electron affinity for neutral C60. The electron affinity of C60 is measured to be 2.683 ? 0.008 eV. The cold spectra reveal complicated vibrational structures for the transition to the C60 ground state due to the Jahn-Teller effect in the ground state of C60-. Vibrational excitations in the two Ag modes and eight Hg modes are observed, providing ideal data to assess the vibronic couplings in C60-.

  9. Atrioventricular Dissociation after Electroconvulsive Therapy

    Directory of Open Access Journals (Sweden)

    Siegfried William Yu

    2011-01-01

    Full Text Available Electroconvulsive therapy (ECT is increasingly used as a treatment for psychiatric disorders. Cardiac effects are the principal cause of medical complications in these patients. We report a case of atrioventricular (AV dissociation that occurred after ECT that was treated with pacemaker implantation. The mechanisms contributing to the onset of AV dissociation in this patient, and the management and rationale for device therapy, in light of the most recent guidelines, are reviewed.

  10. Thermodynamic properties of dissociated steam

    Science.gov (United States)

    Aminov, R. Z.; Gudym, A. A.

    2017-11-01

    In connection with the development of hydrogen technologies and the generation of dissociated steam as a result of the oxidation of hydrogen in an oxygen environment, it became necessary to determine the calorific parameters of dissociated steam. In the existing tables, the caloric parameters of dissociated steam are presented at a reference temperature of 0 K. By contrast, the authors have developed tables of dissociated steam using a reference temperature of 0°C, within the pressure range 0.01–20.0 MPa and the temperature range 1250–4000 K, along with a system of equations for the industrial calculation of the properties of dissociated steam within the temperature range 1250–2300 K and pressure range 0.01–10.0 MPa, followed by a temperature range of 2200–3600 K. During the dissociation of steam, a mixture of eight components are formed including hydrogen H, oxygen O, radicals OH and HO2, molecules of hydrogen H2, oxygen O2, steam H2O, and hydrogen peroxide H2O2. All existing tables of the properties of dissociated steam are based on a mixture of six components: H2, O2, OH, H, O, and H2O. For evaluate whether this is an oversimplification, the composition of the mixture comprising all eight components was calculated, taking into account additional chemical reactions for the formation of HO2 and H2O2. At a pressure of 0.01 MPa, the maximum mole fraction of HO2 was 2.8·10‑5 at a temperature of 3000 K, and at a pressure of 10 MPa, the maximum mole fraction was 5·10‑5 at a temperature of 4000 K. The mole fraction of H2O2 was much lower. Thus at temperatures up to 3000 K, calculations of the properties of dissociated steam are restricted to six components.

  11. Dissociative disorders in DSM-5.

    Science.gov (United States)

    Spiegel, David; Lewis-Fernández, Roberto; Lanius, Ruth; Vermetten, Eric; Simeon, Daphne; Friedman, Matthew

    2013-01-01

    The rationale, research literature, and proposed changes to the dissociative disorders and conversion disorder in the fifth edition of the Diagnostic and Statistical Manual of Mental Disorders (DSM-5) are presented. Dissociative identity disorder will include reference to possession as well as identity fragmentation, to make the disorder more applicable to culturally diverse situations. Dissociative amnesia will include dissociative fugue as a subtype, since fugue is a rare disorder that always involves amnesia but does not always include confused wandering or loss of personality identity. Depersonalization disorder will include derealization as well, since the two often co-occur. A dissociative subtype of posttraumatic stress disorder (PTSD), defined by the presence of depersonalization or derealization in addition to other PTSD symptoms, is being recommended, based upon new epidemiological and neuroimaging evidence linking it to an early life history of adversity and a combination of frontal activation and limbic inhibition. Conversion disorder (functional neurological symptom disorder) will likely remain with the somatic symptom disorders, despite considerable dissociative comorbidity.

  12. R-matrix study of electron impact excitation and dissociation of CH+ ions

    Science.gov (United States)

    Chakrabarti, K.; Dora, A.; Ghosh, R.; Choudhury, B. S.; Tennyson, Jonathan

    2017-09-01

    Electron impact excitation and electron impact dissociation of CH+ ions are studied in the framework of the R-matrix method using the diatomic version of the UK molecular R-matrix codes. A configuration interaction calculation is first performed to yield the potential energy curves of the lowest eight singlet and triplet states of CH+. Scattering calculations are then performed to yield vibrationally-resolved electronic excitations to the lowest three bound states, namely the a {}3{{\\Pi }}, A {}1{{\\Pi }} and the b {}3{{{Σ }}}-. Electron impact dissociation cross sections are obtained from the assumption that all electronic excitations above the dissociation threshold result in dissociation. Bound states of CH and resonance positions and widths of Feshbach resonances in the e-CH+ system are also calculated at the CH+ equilibrium bond length 2.137 a0.

  13. Stochastic Liouville equation simulation of multidimensional vibrational line shapes of trialanine

    NARCIS (Netherlands)

    Jansen, TL; Zhuang, W; Mukamel, S

    2004-01-01

    The line shapes detected in coherent femtosecond vibrational spectroscopies contain direct signatures of peptide conformational fluctuations through their effect on vibrational frequencies and intermode couplings. These effects are simulated in trialanine using a Green's function solution of a

  14. Anatomy of an Exciton : Vibrational Distortion and Exciton Coherence in H- and J-Aggregates

    NARCIS (Netherlands)

    Tempelaar, Roel; Stradomska, Anna; Knoester, Jasper; Spano, Frank C.

    2013-01-01

    In organic materials, coupling of electronic excitations to vibrational degrees of freedom results in polaronic excited states. Through numerical calculations, we demonstrate that the vibrational distortion field accompanying such a polaron scales as the product of the excitonic interaction field

  15. Modal simulation of gearbox vibration with experimental correlation

    Science.gov (United States)

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

    1992-01-01

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

  16. FEM Updating of Tall Buildings using Ambient Vibration Data

    DEFF Research Database (Denmark)

    Ventura, C. E.; Lord, J. F.; Turek, M.

    2005-01-01

    Ambient vibration testing is the most economical non-destructive testing method to acquire vibration data from large civil engineering structures. The purpose of this paper is to demonstrate how ambient vibration Modal Identification techniques can be effectively used with Model Updating tools...... and the corresponding mode shapes. The degree of torsional coupling between the modes was also investigated. The modal identification results obtained from ambient vibration measurements of each building were used to update a finite element model of the structure. The starting model of each structure was developed from...... an ambient vibration modal identification....

  17. Methods of performing downhole operations using orbital vibrator energy sources

    Science.gov (United States)

    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.

  18. Physical and Chemical Characterization of the UCLA RF Plasma Dissociator

    Science.gov (United States)

    Zwi, Helio R.; Huhn, William; Lynn, Alexander W.; Wong, Alfred Y.

    1996-11-01

    The UCLA RF Plasma Dissociator is an inductively coupled plasma device, developed for the dissociation of simulated hazardous waste with either inert (Argon) or oxidizing (air) carrier gases at atmospheric pressure. The rf coil (15 cm length, 8.9 cm diameter) operates at 2.85 MHz with power ranging from 40 to 85 kW. Plasma temperature and density have been measured with emission spectrometry, infrared interferometry and shielded probes. Electron temperatures (0.4---1.2 eV) are usually higher than ion and neutral temperatures. Very high dissociation efficiencies for CCl4 and CF_2Cl2 heve been demonstrated with gas chromatography/mass spectrometry (GC/MS) and other chemical procedures.

  19. Infrared multiple photon dissociation spectroscopy of ciprofloxacin: Investigation of the protonation site

    Energy Technology Data Exchange (ETDEWEB)

    Bodo, E. [Dip. Di Chimica, Universita di Roma ' La Sapienza' , p.le A. Moro 5, 00185 Rome (Italy); Ciavardini, A. [Dip. di Chimica e Tecnologie del Farmaco, Universita di Roma ' ' La Sapienza' ' , p.le A. Moro 5, 00185 Rome (Italy); Dip. di Scienze e Tecnologie Chimiche, Universita di Roma ' ' Tor Vergata' ' , via della Ricerca Scientifica, 00133 Rome (Italy); Giardini, A.; Paladini, A. [CNR - IMIP, Tito Scalo (PZ) (Italy); Piccirillo, S., E-mail: picciril@uniroma2.it [Dip. di Scienze e Tecnologie Chimiche, Universita di Roma ' ' Tor Vergata' ' , via della Ricerca Scientifica, 00133 Rome (Italy); Rondino, F. [ENEA, C.R. Casaccia, (UTT-MAT), Via Anguillarese, 301, 00123 Rome (Italy); Scuderi, D. [Laboratoire de Chimie Physique, Universite Paris Sud 11, UMR 8000, Orsay (France)

    2012-04-04

    Highlights: Black-Right-Pointing-Pointer IRMPD spectroscopy of protonated ciprofloxacin electrosprayed from methanol solution. Black-Right-Pointing-Pointer Quantum chemical calculations to identify the possible isomers differing in the protonation site. Black-Right-Pointing-Pointer Bands are assigned to the isomer protonated. Black-Right-Pointing-Pointer Bands are assigned to the isomer protonated at the piperazinyl amino group. - Abstract: The vibrational spectrum of isolated protonated ciprofloxacin was recorded in the range 1100-2000 cm{sup -1} by means of infrared multiple photon dissociation (IRMPD) spectroscopy. The spectrum was obtained by electrospraying a methanol solution of ciprofloxacin in a Paul ion trap, coupled to the tunable IR radiation of a free electron laser. This spectroscopic study has been complemented by quantum chemical calculations at the DFT and MP2 levels of theory to identify the possible structures present under our experimental conditions. Several low-energy isomers with protonation occurring at the piperazinyl amino group and at the carbonyl group are predicted in the energy range 0-84 kJ mol{sup -1}. A good agreement between the measured IRMPD spectrum and the calculated absorption spectrum is observed for the isomer protonated at the piperazinyl amino group. This isomer is calculated at MP2 level of theory to lie about 76 kJ/mol above the most stable isomer which is protonated at the quinone carbonyl group. This discrepancy can be rationalized by assuming that the protonation at the piperazinyl amino group, typical of the zwitterionic form that is found in protic solvents, is retained in the ESI process. The vibrational bands observed in the IRMPD spectrum are assigned to normal modes of the isomer protonated at the piperazinyl amino group, with deviations of less than 20 cm{sup -1} between measured and calculated frequencies.

  20. Benefits of Spacecraft Level Vibration Testing

    Science.gov (United States)

    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.

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

    Science.gov (United States)

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

    2014-12-26

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

  2. Permanent dipole transitions remain elusive in HD{sup +} strong-field dissociation

    Energy Technology Data Exchange (ETDEWEB)

    McKenna, J; Sayler, A M; Gaire, B; Johnson, Nora G; Zohrabi, M; Carnes, K D; Esry, B D; Ben-Itzhak, I [J R Macdonald Laboratory, Department of Physics, Kansas State University, Manhattan, KS 66506 (United States)], E-mail: ibi@phys.ksu.edu

    2009-06-28

    A pertinent question in strong-field molecular physics is: what role does the permanent electric dipole moment of heteronuclear molecules play in their dissociation dynamics? Recently, Kiess et al (2008 Phys. Rev. A 77 053401) reported the first evidence for direct two-photon dissociation of an HD{sup +} beam involving its permanent dipole moment, using 790 nm, 100 fs pulses. However, the measurement was convoluted by the fact that the H{sup +} (H) and D{sup +} (D) fragments could not be well resolved. Using high resolution coincidence 3D momentum imaging, which distinguishes all fragments, we find new evidence that challenges the previous findings. Specifically, we find that the small peak observed and assigned earlier to direct two-photon dissociation is instead due to one-photon dissociation of the v= 8 vibrational state by bond softening. Our vibrationally resolved spectra covering the intensity interval 3 x 10{sup 13} - 5 x 10{sup 14} W cm{sup -2} show that one-photon dissociation of HD{sup +} dominates, with no clear evidence of permanent dipole transitions. (fast track communication)

  3. [Dissociative identity disorder or schizophrenia?].

    Science.gov (United States)

    Tschöke, S; Steinert, T

    2010-01-01

    We present a case of dissociative identity disorder in which Schneiderian first rank symptoms were present besides of various states of consciousness. Thus the diagnosis of schizophrenia had to be considered. Formally, the symptoms met ICD-10 criteria for schizophrenia. However, taking into account the lack of formal thought disorder and of negative symptoms as well as a typical history of severe and prolonged traumatisation, we did not diagnose a co-morbid schizophrenic disorder. There is good evidence for the existence of psychotic symptoms among patients with dissociative disorders. However, in clinical practice this differential diagnosis is rarely considered.

  4. Do Practical Standard Coupled Cluster Calculations Agree Better than Kohn–Sham Calculations with Currently Available Functionals When Compared to the Best Available Experimental Data for Dissociation Energies of Bonds to 3d Transition Metals?

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Xuefei; Zhang, Wenjing; Tang, Mingsheng; Truhlar, Donald G.

    2015-05-12

    Coupled-cluster (CC) methods have been extensively used as the high-level approach in quantum electronic structure theory to predict various properties of molecules when experimental results are unavailable. It is often assumed that CC methods, if they include at least up to connected-triple-excitation quasiperturbative corrections to a full treatment of single and double excitations (in particular, CCSD(T)), and a very large basis set, are more accurate than Kohn–Sham (KS) density functional theory (DFT). In the present work, we tested and compared the performance of standard CC and KS methods on bond energy calculations of 20 3d transition metal-containing diatomic molecules against the most reliable experimental data available, as collected in a database called 3dMLBE20. It is found that, although the CCSD(T) and higher levels CC methods have mean unsigned deviations from experiment that are smaller than most exchange-correlation functionals for metal–ligand bond energies of transition metals, the improvement is less than one standard deviation of the mean unsigned deviation. Furthermore, on average, almost half of the 42 exchange-correlation functionals that we tested are closer to experiment than CCSD(T) with the same extended basis set for the same molecule. The results show that, when both relativistic and core–valence correlation effects are considered, even the very high-level (expensive) CC method with single, double, triple, and perturbative quadruple cluster operators, namely, CCSDT(2)Q, averaged over 20 bond energies, gives a mean unsigned deviation (MUD(20) = 4.7 kcal/mol when one correlates only valence, 3p, and 3s electrons of transition metals and only valence electrons of ligands, or 4.6 kcal/mol when one correlates all core electrons except for 1s shells of transition metals, S, and Cl); and that is similar to some good xc functionals (e.g., B97-1 (MUD(20) = 4.5 kcal/mol) and PW6B95 (MUD(20) = 4.9 kcal/mol)) when the same basis set is used

  5. Dissociative symptoms and neuroendocrine dysregulation in depression.

    Science.gov (United States)

    Bob, Petr; Fedor-Freybergh, Peter; Jasova, Denisa; Bizik, Gustav; Susta, Marek; Pavlat, Josef; Zima, Tomas; Benakova, Hana; Raboch, Jiri

    2008-10-01

    Dissociative symptoms are traditionally attributed to psychological stressors that produce dissociated memories related to stressful life events. Dissociative disorders and dissociative symptoms including psychogenic amnesia, fugue, dissociative identity-disorder, depersonalization, derealization and other symptoms or syndromes have been reported as an epidemic psychiatric condition that may be coexistent with various psychiatric diagnoses such as depression, schizophrenia, borderline personality disorder or anxiety disorders. According to recent findings also the somatic components of dissociation may occur and influence brain, autonomic and neuroendocrine functions. At this time there are only few studies examining neuroendocrine response related to dissociative symptoms that suggest significant dysregulation of the hypothalamus-pituitary-adrenal (HPA) axis. The aim of the present study is to perform examination of HPA axis functioning indexed by basal cortisol and prolactin and test their relationship to psychic and somatoform dissociative symptoms. Basal cortisol and prolactin and psychic and somatoform dissociative symptoms were assessed in 40 consecutive inpatients with diagnosis of unipolar depression mean age 43.37 (SD=12.21). The results show that prolactin and cortisol as indices of HPA axis functioning manifest significant relationship to dissociative symptoms. Main results represent highly significant correlations obtained by simple regression between psychic dissociative symptoms (DES) and serum prolactin (R=0.55, p=0.00027), and between somatoform dissociation (SDQ-20) and serum cortisol (R=-0.38, p=0.015). These results indicate relationship between HPA-axis reactivity and dissociative symptoms in unipolar depressive patients that could reflect passive coping behavior and disengagement.

  6. Chemical reactions of water molecules on Ru(0001) induced by selective excitation of vibrational modes

    Energy Technology Data Exchange (ETDEWEB)

    Mugarza, Aitor; Shimizu, Tomoko K.; Ogletree, D. Frank; Salmeron, Miquel

    2009-05-07

    Tunneling electrons in a scanning tunneling microscope were used to excite specific vibrational quantum states of adsorbed water and hydroxyl molecules on a Ru(0 0 0 1) surface. The excited molecules relaxed by transfer of energy to lower energy modes, resulting in diffusion, dissociation, desorption, and surface-tip transfer processes. Diffusion of H{sub 2}O molecules could be induced by excitation of the O-H stretch vibration mode at 445 meV. Isolated molecules required excitation of one single quantum while molecules bonded to a C atom required at least two quanta. Dissociation of single H{sub 2}O molecules into H and OH required electron energies of 1 eV or higher while dissociation of OH required at least 2 eV electrons. In contrast, water molecules forming part of a cluster could be dissociated with electron energies of 0.5 eV.

  7. On Kinetics Modeling of Vibrational Energy Transfer

    Science.gov (United States)

    Gilmore, John O.; Sharma, Surendra P.; Cavolowsky, John A. (Technical Monitor)

    1996-01-01

    Two models of vibrational energy exchange are compared at equilibrium to the elementary vibrational exchange reaction for a binary mixture. The first model, non-linear in the species vibrational energies, was derived by Schwartz, Slawsky, and Herzfeld (SSH) by considering the detailed kinetics of vibrational energy levels. This model recovers the result demanded at equilibrium by the elementary reaction. The second model is more recent, and is gaining use in certain areas of computational fluid dynamics. This model, linear in the species vibrational energies, is shown not to recover the required equilibrium result. Further, this more recent model is inconsistent with its suggested rate constants in that those rate constants were inferred from measurements by using the SSH model to reduce the data. The non-linear versus linear nature of these two models can lead to significant differences in vibrational energy coupling. Use of the contemporary model may lead to significant misconceptions, especially when integrated in computer codes considering multiple energy coupling mechanisms.

  8. Computing Vibration-Mode Matrices From Finite-Element Output

    Science.gov (United States)

    Levy, Roy

    1993-01-01

    Postprocessing algorithms devised to facilitate vibrational-mode analyses of dynamics of complicated structures. Yields inertia matrices and elastic/rigid-coupling matrices. Such analyses important in simulation and control in active suppression of vibrations in large building or in precise aiming of large antenna.

  9. selective excitation of vibrational modes of polyatomic molecule

    Indian Academy of Sciences (India)

    Abstract. Mode-selective dynamics of triatomic molecule in the electronic ground state under continuous wave laser pulse is investigated for the discrete vibrational bound states. A non-perturbative approach has been used to analyse the vibrational couplings and dynamics of the molecule. Keywords. Polyatomic molecule ...

  10. Dissociation: a developmental psychoneurobiological perspective

    African Journals Online (AJOL)

    Adele

    stress disorders of adults.2 A central tenet of a developmental psychoneurobiological ... pathologies, from reactive attachment disorder of infants to dissociative identity disorders, psychotic experiences, borderline personality disorders and .... ambiguus that is necessary for social communication.2 The vagal brake must be ...

  11. Dissociative features of fibromyalgia syndrome.

    Science.gov (United States)

    Berkol, Tonguc D; Balcioglu, Yasin H; Kirlioglu, Simge S; Erensoy, Habib; Vural, Meltem

    2017-07-01

    To assess the relationships between the dissociative features of FMS and the pain, psychological status, and functional status. Twenty-seven women with fibromyalgia syndrome (FMS) and 24 controls from the Istanbul Physical Medicine and Rehabilitation Hospital (2013-2015) were included in this cross-sectional study. The Diagnostic and Statistical Manual of Mental Disorders Structured Clinical Interview for Axis I Disorders was used to evaluate the participants. A visual analogous scale (VAS), Fibromyalgia Impact Questionnaire (FIQ), Beck Depression Inventory (BDI), and Beck Anxiety Inventory (BAI) were used to assess the levels of pain, quality of sleep and functional and psychological statuses. The Dissociative Experiences Scale (DES) was used to evaluate the dissociative features. The BDI, BAI and DES scores were statistically significantly higher in the cases of FMS. There were remarkable associations between all but 2 of the DES and FIQ scores, while positive correlations were found between the DES and, VAS pain and sleep quality scores. The prevalences of current and lifelong dysthymia, and major depressive disorder; not otherwise specified, common anxiety and somatoform disorders were higher in the cases of FMS. Pain, physical function and emotional status appear to be associated with dissociative features in FMS. Further studies are required to define these relationships and improve treatment.

  12. Hydrogen dissociation on metal surfaces

    NARCIS (Netherlands)

    Wijzenbroek, M.

    2016-01-01

    Dissociative chemisorption is an important reaction step in many catalytic reactions. An example of such a reaction is the Haber-Bosch process, which is used commercially to produce ammonia, an important starting material in the production of fertilisers. In theoretical descriptions of such chemical

  13. Dissociation: a developmental psychoneurobiological perspective ...

    African Journals Online (AJOL)

    The incidence of abuse in the childhood histories of adults with dissociative disorders is extremely high. ... circuit control over lower circuits, b) primitive parasympathetic regulation by the dorsal motor nucleus, c) memory, d) left hemisphere, e) integration of bodily sensations, f) sense of self, and g) affect and motivation.

  14. Dissociation: a developmental psychoneurobiological perspective ...

    African Journals Online (AJOL)

    The disadvantage is that when dissociation occurs frequently, the development of neural networks is impaired. Especially disadvantageous are problems which develop with ... The clinician's primary function is as an affect regulator and therapy should focus on integration. SA Psychiatry Rev. Vol.7(3) 2004: 11-12, 12, 16-17 ...

  15. GRAPHICAL DETERMINATION OF DISSOCIATION CONSTANT ...

    African Journals Online (AJOL)

    DR. AMINU

    ABSTRACT. The dissociation constant (pKa) of non – polar amino acids including (alanine, glycine, valine phenylalanine and tryptophan) were determined by potentiometric titration technique. The pKa values obtained by extrapolation for alanine, glycine, and valine were 10.29, 9.87 and 9.91 respectively. The implications ...

  16. GRAPHICAL DETERMINATION OF DISSOCIATION CONSTANT ...

    African Journals Online (AJOL)

    DR. AMINU

    3: Plot of pH versus Log [HA]/[A-] for pKa of Valine. CONCLUSION. The acid dissociation constant of non polar amino acids determined graphically for the first time from the available literature were found to be similar with corresponding calculated values reported in the literature. Therefore the graphical approach is ...

  17. DISSOCIATIVE DISORDERS IN DSM-5

    NARCIS (Netherlands)

    Spiegel, David; Loewenstein, Richard J.; Lewis-Fernandez, Roberto; Sar, Vedat; Simeon, Daphne; Vermetten, Eric; Cardena, Etzel; Dell, Paul F.

    Background: We present recommendations for revision of the diagnostic criteria for the Dissociative Disorders (DDs) for DSM-5. The periodic revision of the DSM provides an opportunity to revisit the assumptions underlying specific diagnoses and the empirical support, or lack of it, for the defining

  18. Dissociating Prediction Failure: Considerations from Music Perception

    DEFF Research Database (Denmark)

    Ross, Suzi; Hansen, Niels Christian

    2016-01-01

    Dissociating Prediction Failure: Considerations from Music Perception The Journal of Neuroscience, 16 March 2016, 36(11): 3103-3105;......Dissociating Prediction Failure: Considerations from Music Perception The Journal of Neuroscience, 16 March 2016, 36(11): 3103-3105;...

  19. Carbon Nanotube Tape Vibrating Gyroscope

    Science.gov (United States)

    Tucker, Dennis Stephen (Inventor)

    2016-01-01

    A vibrating gyroscope includes a piezoelectric strip having length and width dimensions. The piezoelectric strip includes a piezoelectric material and carbon nanotubes (CNTs) substantially aligned and polled along the strip's length dimension. A spindle having an axis of rotation is coupled to the piezoelectric strip. The axis of rotation is parallel to the strip's width dimension. A first capacitance sensor is mechanically coupled to the spindle for rotation therewith. The first capacitance sensor is positioned at one of the strip's opposing ends and is spaced apart from one of the strip's opposing faces. A second capacitance sensor is mechanically coupled to the spindle for rotation therewith. The second capacitance sensor is positioned at another of the strip's opposing ends and is spaced apart from another of the strip's opposing faces. A voltage source applies an AC voltage to the piezoelectric strip.

  20. Global functioning and disability in dissociative disorders.

    Science.gov (United States)

    Mueller-Pfeiffer, Christoph; Rufibach, Kaspar; Perron, Noelle; Wyss, Daniela; Kuenzler, Cornelia; Prezewowsky, Cornelia; Pitman, Roger K; Rufer, Michael

    2012-12-30

    Dissociative disorders are frequent comorbid conditions of other mental disorders. Yet, there is controversy about their clinical relevance, and little systematic research has been done on how they influence global functioning. Outpatients and day care patients (N=160) of several psychiatric units in Switzerland were assessed with the Structured Clinical Interview for Diagnostic and Statistical Manual of Mental Disorders (DSM)-IV Axis I Disorders, Structured Clinical Interview for DSM-IV Dissociative Disorders, Global Assessment of Functioning Scale, and World Health Organization Disability Assessment Schedule-II. The association between subjects with a dissociative disorder (N=30) and functional impairment after accounting for non-dissociative axis I disorders was evaluated by linear regression models. We found a proportion of 18.8% dissociative disorders (dissociative amnesia=0%, dissociative fugue=0.6%, depersonalization disorder=4.4%, dissociative identity disorder=7.5%, dissociative disorder-not-otherwise-specified=6.3%) across treatment settings. Adjusted for other axis I disorders, subjects with a comorbid dissociative identity disorder or dissociative disorder-not-otherwise-specified had a median global assessment of functioning score that was 0.86 and 0.88 times, respectively, the score of subjects without a comorbid dissociative disorder. These findings support the hypothesis that complex dissociative disorders, i.e., dissociative identity disorder and dissociative disorder-not-otherwise-specified, contribute to functional impairment above and beyond the impact of co-existing non-dissociative axis I disorders, and that they qualify as "serious mental illness". Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

  1. The multilayer and wide-deck vibrating screen based on the innovative long-span vibration exciter

    Science.gov (United States)

    Zeng, Ming; Xu, Zonglin; Zhang, Jinnan; Zhang, Minghong

    2017-09-01

    The multilayer and wide-deck innovative single plasmid vibration screen is applicable to the petroleum drilling and the other relevant industries. The structural features and advantages of the components are illustrated, and the innovative long-span vibration exciter together with the steel rope saddle block flexible coupling is emphatically analyzed. Two engineering examples are provided to make the explanation.

  2. Tunable Passive Vibration Suppressor

    Science.gov (United States)

    Boechler, Nicholas (Inventor); Dillon, Robert Peter (Inventor); Daraio, Chiara (Inventor); Davis, Gregory L. (Inventor); Shapiro, Andrew A. (Inventor); Borgonia, John Paul C. (Inventor); Kahn, Daniel Louis (Inventor)

    2016-01-01

    An apparatus and method for vibration suppression using a granular particle chain. The granular particle chain is statically compressed and the end particles of the chain are attached to a payload and vibration source. The properties of the granular particles along with the amount of static compression are chosen to provide desired filtering of vibrations.

  3. Vibrations and Eigenvalues

    Indian Academy of Sciences (India)

    We make music by causing strings, membranes, or air columns to vibrate. Engineers design safe structures by control- ling vibrations. I will describe to you a very simple vibrating system and the mathematics needed to analyse it. The ideas were born in the work of Joseph-Louis Lagrange (1736–1813), and I begin by quot-.

  4. Dissociative Functions in the Normal Mourning Process.

    Science.gov (United States)

    Kauffman, Jeffrey

    1994-01-01

    Sees dissociative functions in mourning process as occurring in conjunction with integrative trends. Considers initial shock reaction in mourning as model of normal dissociation in mourning process. Dissociation is understood to be related to traumatic significance of death in human consciousness. Discerns four psychological categories of…

  5. Electronic and vibrational spectroscopy and vibrationally mediated photodissociation of V+(OCO).

    Science.gov (United States)

    Citir, Murat; Altinay, Gokhan; Metz, Ricardo B

    2006-04-20

    Electronic spectra of gas-phase V+(OCO) are measured in the near-infrared from 6050 to 7420 cm(-1) and in the visible from 15,500 to 16,560 cm(-1), using photofragment spectroscopy. The near-IR band is complex, with a 107 cm(-1) progression in the metal-ligand stretch. The visible band shows clearly resolved vibrational progressions in the metal-ligand stretch and rock, and in the OCO bend, as observed by Brucat and co-workers. A vibrational hot band gives the metal-ligand stretch frequency in the ground electronic state nu3'' = 210 cm(-1). The OCO antisymmetric stretch frequency in the ground electronic state (nu1'') is measured by using vibrationally mediated photodissociation. An IR laser vibrationally excites ions to nu1'' = 1. Vibrationally excited ions selectively dissociate following absorption of a second, visible photon at the nu1' = 1 CO2, due to interaction with the metal. Larger blue shifts observed for complexes with fewer ligands agree with trends seen for larger V+(OCO)n clusters.

  6. Collective model for isovector quadrupole vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Nojarov, R.; Faessler, A.

    1987-03-01

    The vibrational model is extended by introducing isospin-dependent collective coordinates, permitting a description out-of-phase neutron-proton vibrations coupled by a density-dependent symmetry energy. The restoring force is calculated microscopically using the wavefunctions of a Woods-Saxon potential and the coupling with three-phonon states is taken into account. The model is able to describe the available experimental data (energies and multipole mixing ratios) on low-lying 2/sup +/ states, which were observed recently in nuclei near the shell closures (/sup 124/Te, /sup 140/Ba, /sup 142/Ce and /sup 144/Nd), supporting the identification of these states as isovector quadrupole vibrations and predicting such states in /sup 126 -130/ Te.

  7. Methane dissociation on the steps and terraces of Pt(211) resolved by quantum state and impact site.

    Science.gov (United States)

    Chadwick, Helen; Guo, Han; Gutiérrez-González, Ana; Menzel, Jan Paul; Jackson, Bret; Beck, Rainer D

    2018-01-07

    Methane dissociation on the step and terrace sites of a Pt(211) single crystal was studied by reflection absorption infrared spectroscopy (RAIRS) at a surface temperature of 120 K. The C-H stretch RAIRS signal of the chemisorbed methyl product species was used to distinguish between adsorption on step and terrace sites allowing methyl uptake to be monitored as a function of incident kinetic energy for both sites. Our results indicate a direct dissociation mechanism on both sites with higher reactivity on steps than on terraces consistent with a difference in an activation barrier height of at least 30 kJ/mol. State-specific preparation of incident CH4 with one quantum of antisymmetric (ν3) stretch vibration further increases the CH4 reactivity enabling comparison between translational and vibrational activation on both steps and terraces. The reaction is modeled with first principles quantum theory that accurately describes dissociative chemisorption at different sites on the surface.

  8. Methane dissociation on the steps and terraces of Pt(211) resolved by quantum state and impact site

    Science.gov (United States)

    Chadwick, Helen; Guo, Han; Gutiérrez-González, Ana; Menzel, Jan Paul; Jackson, Bret; Beck, Rainer D.

    2018-01-01

    Methane dissociation on the step and terrace sites of a Pt(211) single crystal was studied by reflection absorption infrared spectroscopy (RAIRS) at a surface temperature of 120 K. The C—H stretch RAIRS signal of the chemisorbed methyl product species was used to distinguish between adsorption on step and terrace sites allowing methyl uptake to be monitored as a function of incident kinetic energy for both sites. Our results indicate a direct dissociation mechanism on both sites with higher reactivity on steps than on terraces consistent with a difference in an activation barrier height of at least 30 kJ/mol. State-specific preparation of incident CH4 with one quantum of antisymmetric (ν3) stretch vibration further increases the CH4 reactivity enabling comparison between translational and vibrational activation on both steps and terraces. The reaction is modeled with first principles quantum theory that accurately describes dissociative chemisorption at different sites on the surface.

  9. Vortex-induced vibration of a slender single-span cylinder

    NARCIS (Netherlands)

    Oikou, N.

    2014-01-01

    The goal of this paper is to study the vortex-induced vibration of slender cylindrical structures. For this purpose, a 2D model that calculates the coupled cross-flow and in-line vibrations of a flexible single span beam is developed. A wake oscillator known to match well with free vibration

  10. Controls on Gas Hydrate Formation and Dissociation

    Energy Technology Data Exchange (ETDEWEB)

    Miriam Kastner; Ian MacDonald

    2006-03-03

    The main objectives of the project were to monitor, characterize, and quantify in situ the rates of formation and dissociation of methane hydrates at and near the seafloor in the northern Gulf of Mexico, with a focus on the Bush Hill seafloor hydrate mound; to record the linkages between physical and chemical parameters of the deposits over the course of one year, by emphasizing the response of the hydrate mound to temperature and chemical perturbations; and to document the seafloor and water column environmental impacts of hydrate formation and dissociation. For these, monitoring the dynamics of gas hydrate formation and dissociation was required. The objectives were achieved by an integrated field and laboratory scientific study, particularly by monitoring in situ formation and dissociation of the outcropping gas hydrate mound and of the associated gas-rich sediments. In addition to monitoring with the MOSQUITOs, fluid flow rates and temperature, continuously sampling in situ pore fluids for the chemistry, and imaging the hydrate mound, pore fluids from cores, peepers and gas hydrate samples from the mound were as well sampled and analyzed for chemical and isotopic compositions. In order to determine the impact of gas hydrate dissociation and/or methane venting across the seafloor on the ocean and atmosphere, the overlying seawater was sampled and thoroughly analyzed chemically and for methane C isotope ratios. At Bush hill the pore fluid chemistry varies significantly over short distances as well as within some of the specific sites monitored for 440 days, and gas venting is primarily focused. The pore fluid chemistry in the tub-warm and mussel shell fields clearly documented active gas hydrate and authigenic carbonate formation during the monitoring period. The advecting fluid is depleted in sulfate, Ca Mg, and Sr and is rich in methane; at the main vent sites the fluid is methane supersaturated, thus bubble plumes form. The subsurface hydrology exhibits both

  11. Vibration analysis of cryocoolers

    Science.gov (United States)

    Tomaru, Takayuki; Suzuki, Toshikazu; Haruyama, Tomiyoshi; Shintomi, Takakazu; Yamamoto, Akira; Koyama, Tomohiro; Li, Rui

    2004-05-01

    The vibrations of Gifford-McMahon (GM) and pulse-tube (PT) cryocoolers were measured and analyzed. The vibrations of the cold-stage and cold-head were measured separately to investigate their vibration mechanisms. The measurements were performed while maintaining the thermal conditions of the cryocoolers at a steady state. We found that the vibration of the cold-head for the 4 K PT cryocooler was two orders of magnitude smaller than that of the 4 K GM cryocooler. On the other hand, the vibration of the cold-stages for both cryocoolers was of the same order of magnitude. From a spectral analysis of the vibrations and a simulation, we concluded that the vibration of the cold-stage is caused by an elastic deformation of the pulse tubes (or cylinders) due to the pressure oscillation of the working gas.

  12. Vibration analysis of cryocoolers

    Energy Technology Data Exchange (ETDEWEB)

    Tomaru, Takayuki; Suzuki, Toshikazu; Haruyama, Tomiyoshi; Shintomi, Takakazu; Yamamoto, Akira [High Energy Accelerator Research Organization (KEK), Tsukuba, Ibaraki (Japan); Koyama, Tomohiro; Rui Li [Sumitomo Heavy Industries Ltd., Tokyo (Japan)

    2004-05-01

    The vibrations of Gifford-McMahon (GM) and pulse-tube (PT) cryocoolers were measured and analyzed. The vibrations of the cold-stage and cold-head were measured separately to investigate their vibration mechanisms. The measurements were performed while maintaining the thermal conditions of the cryocoolers at a steady state. We found that the vibration of the cold-head for the 4 K PT cryocooler was two orders of magnitude smaller than that of the 4 K GM cryocooler. On the other hand, the vibration of the cold-stages for both cryocoolers was of the same order of magnitude. From a spectral analysis of the vibrations and a simulation, we concluded that the vibration of the cold-stage is caused by an elastic deformation of the pulse tubes (or cylinders) due to the pressure oscillation of the working gas. (Author)

  13. Vibration of hydraulic machinery

    CERN Document Server

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

    2013-01-01

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

  14. Dancing with the Muses: dissociation and flow.

    Science.gov (United States)

    Thomson, Paula; Jaque, S Victoria

    2012-01-01

    This study investigated dissociative psychological processes and flow (dispositional and state) in a group of professional and pre-professional dancers (n=74). In this study, high scores for global (Mdn=4.14) and autotelic (Mdn=4.50) flow suggest that dancing was inherently integrating and rewarding, although 17.6% of the dancers were identified as possibly having clinical levels of dissociation (Dissociative Experiences Scale-Taxon cutoff score≥20). The results of the multivariate analysis of variance indicated that subjects with high levels of dissociation had significantly lower levels of global flow (p.05). As hypothesized, dissociation and flow seem to operate as different mental processes.

  15. Dissociations, developmental psychology, and pedagogical design.

    Science.gov (United States)

    Lillard, Angeline

    2006-01-01

    Although dissociations in children's responses are sometimes about "getting it right" for an experimenter, they might also often reflect differences between conscious and subconscious processing that are not geared to correct performance. Research with adults also reveals many cases of dissociation, and adults can more easily be subjected to neuroimaging methods that might help shed light on dissociation. Finally, much of the research on dissociations shows that human cognition is optimized in some contexts over others. School environments often correspond to less optimizing contexts. Research on dissociation could be used to inform pedagogical design.

  16. A comparison of quantum and classical dynamics of H2 dissociation on Cu(111)

    DEFF Research Database (Denmark)

    Kinnersley, A.; Darling, G.R.; Holloway, S.

    1996-01-01

    ground state. This subtracts from the problem the largest quantum degree of freedom with the consequence that broadly speaking, quantum and classical results for the dissociation as a function of initial rotational state and incidence angle agree well. One feature arising from the calculations...... is that for the first time we have shown how the quantized nature of motion near the transition state affects experimental observables. We demonstrate that hitherto neglected structure in dissociation probabilities may be traced to quantized hindered rotational and translational motion. An additional consequence......A quantitative comparison of the results from quantum and classical computations of the dissociation of H-2 on the ab initio Cu(111) surface is presented. In order to initiate a detailed comparison of the classical and quantum methods, we chose to investigate motion on the vibrationally adiabatic...

  17. Unusual temperature dependence of the dissociative electron attachment cross section of 2-thiouracil

    Energy Technology Data Exchange (ETDEWEB)

    Kopyra, Janina [Faculty of Science, Siedlce University, 3 Maja 54, 08-110 Siedlce (Poland); Abdoul-Carime, Hassan [Université de Lyon, F-69003 Lyon (France); Université Lyon 1, Villeurbanne (France); CNRS/IN2P3, UMR5822, Institut de Physique Nucléaire de Lyon, Lyon (France)

    2016-01-21

    At low energies (<3 eV), molecular dissociation is controlled by dissociative electron attachment for which the initial step, i.e., the formation of the transient negative ion, can be initiated by shape resonance or vibrational Feshbach resonance (VFR) mediated by the formation of a dipole bound anion. The temperature dependence for shape-resonances is well established; however, no experimental information is available yet on the second mechanism. Here, we show that the dissociation cross section for VFRs mediated by the formation of a dipole bound anion decreases as a function of a temperature. The change remains, however, relatively small in the temperature range of 370-440 K but it might be more pronounced at the extended temperature range.

  18. Coulomb dissociation of N,2120

    Science.gov (United States)

    Röder, Marko; Adachi, Tatsuya; Aksyutina, Yulia; Alcantara, Juan; Altstadt, Sebastian; Alvarez-Pol, Hector; Ashwood, Nicholas; Atar, Leyla; Aumann, Thomas; Avdeichikov, Vladimir; Barr, M.; Beceiro, Saul; Bemmerer, Daniel; Benlliure, Jose; Bertulani, Carlos; Boretzky, Konstanze; Borge, Maria J. G.; Burgunder, G.; Caamaño, Manuel; Caesar, Christoph; Casarejos, Enrique; Catford, Wilton; Cederkäll, Joakim; Chakraborty, S.; Chartier, Marielle; Chulkov, Leonid; Cortina-Gil, Dolores; Crespo, Raquel; Datta Pramanik, Ushasi; Diaz-Fernandez, Paloma; Dillmann, Iris; Elekes, Zoltan; Enders, Joachim; Ershova, Olga; Estrade, A.; Farinon, F.; Fraile, Luis M.; Freer, Martin; Freudenberger, M.; Fynbo, Hans; Galaviz, Daniel; Geissel, Hans; Gernhäuser, Roman; Göbel, Kathrin; Golubev, Pavel; Gonzalez Diaz, D.; Hagdahl, Julius; Heftrich, Tanja; Heil, Michael; Heine, Marcel; Heinz, Andreas; Henriques, Ana; Holl, Matthias; Ickert, G.; Ignatov, Alexander; Jakobsson, Bo; Johansson, Hâkan; Jonson, Björn; Kalantar-Nayestanaki, Nasser; Kanungo, Rituparna; Kelic-Heil, Aleksandra; Knöbel, Ronja; Kröll, Thorsten; Krücken, Reiner; Kurcewicz, J.; Kurz, Nikolaus; Labiche, Marc; Langer, Christoph; Le Bleis, Tudi; Lemmon, Roy; Lepyoshkina, Olga; Lindberg, Simon; Machado, Jorge; Marganiec, Justyna; Mostazo Caro, Magdalena; Movsesyan, Alina; Najafi, Mohammad Ali; Nilsson, Thomas; Nociforo, Chiara; Panin, Valerii; Paschalis, Stefanos; Perea, Angel; Petri, Marina; Pietri, S.; Plag, Ralf; Prochazka, A.; Rahaman, Md. Anisur; Rastrepina, Ganna; Reifarth, Rene; Ribeiro, Guillermo; Ricciardi, M. Valentina; Rigollet, Catherine; Riisager, Karsten; Rossi, Dominic; Sanchez del Rio Saez, Jose; Savran, Deniz; Scheit, Heiko; Simon, Haik; Sorlin, Olivier; Stoica, V.; Streicher, Branislav; Taylor, Jon; Tengblad, Olof; Terashima, Satoru; Thies, Ronja; Togano, Yasuhiro; Uberseder, Ethan; Van de Walle, J.; Velho, Paulo; Volkov, Vasily; Wagner, Andreas; Wamers, Felix; Weick, Helmut; Weigand, Mario; Wheldon, Carl; Wilson, G.; Wimmer, Christine; Winfield, J. S.; Woods, Philip; Yakorev, Dmitry; Zhukov, Mikhail; Zilges, Andreas; Zuber, Kai; R3B Collaboration

    2016-06-01

    Neutron-rich light nuclei and their reactions play an important role in the creation of chemical elements. Here, data from a Coulomb dissociation experiment on N,2120 are reported. Relativistic N,2120 ions impinged on a lead target and the Coulomb dissociation cross section was determined in a kinematically complete experiment. Using the detailed balance theorem, the 19N (n ,γ )20N and 20N (n ,γ ) 21N excitation functions and thermonuclear reaction rates have been determined. The 19 (n ,γ )20N rate is up to a factor of 5 higher at T <1 GK with respect to previous theoretical calculations, leading to a 10% decrease in the predicted fluorine abundance.

  19. Study on the annular leakage-flow-induced vibrations. 2nd Report. Stability analysis and experiments for translationally and rotationally coupled two-degree-of-freedom systems; Kanjo sukimaryu reiki shindo ni kansuru kenkyu. 2. heishin kaiten 2 jiyudo renseikei no anteisei kaiseki oyobi jikken

    Energy Technology Data Exchange (ETDEWEB)

    Li, D.W. [Hitachi, Ltd., Tokyo (Japan); Kaneko, S. [The University of Tokyo, Tokyo (Japan); Hayama, S. [Toyama Prefectural University, Toyama (Japan)

    1999-07-25

    In this study, the stability of annular leakage-flow-induced vibrations was investigated theoretically and experimentally for a translationally and rotationally coupled two-degree-of-freedom system. The critical flow rate was both theoretically and experimentally obtained as a function of the passage increment ratio and the eccentricity of the passage. A good agreement between the theoretical and experimental results was obtained. It was discovered both theoretically and from the experiments that instability will occur in the case of a divergent passage: the eccentricity of the passage lowers the stability of the systems. (author)

  20. Dissociative disorders in the psychiatric emergency ward.

    Science.gov (United States)

    Sar, Vedat; Koyuncu, Ahmet; Ozturk, Erdinc; Yargic, L Ilhan; Kundakci, Turgut; Yazici, Ahmet; Kuskonmaz, Ekrem; Aksüt, Didem

    2007-01-01

    The aim of this study was to determine the prevalence of dissociative disorders among emergency psychiatric admissions. Forty-three of the 97 consecutive outpatients admitted to the psychiatric emergency unit of a university hospital were screened using the Dissociative Experiences Scale (DES). Seventeen (39.5% of the 43 evaluated) patients with a DES score above 25.0 were then interviewed with the Dissociative Disorders Interview Schedule and the Structured Clinical Interview for Dissociative Disorders. Fifteen emergency unit patients (34.9% of the 43 evaluated participants) were diagnosed as having a dissociative disorder. Six (14.0%) patients had dissociative identity disorder, 6 (14.0%) had dissociative disorder not otherwise specified, and 3 (7.0%) had dissociative amnesia. The average DES score of dissociative patients was 43.7. A majority of them had comorbid major depression, somatization disorder, and borderline personality disorder. Most of the patients with dissociative disorder reported auditory hallucinations, symptoms associated with psychogenic amnesia, flashback experiences, and childhood abuse and/or neglect. Dissociative disorders constitute one of the diagnostic groups with high relevance in emergency psychiatry.

  1. Autonoesis and dissociative identity disorder.

    Science.gov (United States)

    Morton, John

    2018-01-01

    Dissociative identity disorder is characterised by the presence in one individual of two or more alternative personality states (alters). For such individuals, the memory representation of a particular event can have full episodic, autonoetic status for one alter, while having the status of knowledge or even being inaccessible to a second alter. This phenomenon appears to create difficulties for a purely representational theory and is presented to Mahr & Csibra (M&C) for their consideration.

  2. Paraphilia from a dissociative perspective.

    Science.gov (United States)

    Ross, Colin A

    2008-12-01

    A dissociative structural model of the psyche can account for a wide range of symptoms across many DSM-IV categories, including sexual compulsions and addictions. The model leads to a distinct overall plan of treatment and a set of operationalized interventions aimed at integration of the self, rather than suppression of impulses. The model could be tested first in epidemiological studies and later in treatment outcome studies.

  3. Dissociative symptoms and REM sleep.

    Science.gov (United States)

    van Heugten-van der Kloet, Dalena; Merckelbach, Harald; Lynn, Steven Jay

    2013-12-01

    Llewellyn has written a fascinating article about rapid eye movement (REM) dreams and how they promote the elaborative encoding of recent memories. The main message of her article is that hyperassociative and fluid cognitive processes during REM dreaming facilitate consolidation. We consider one potential implication of this analysis: the possibility that excessive or out-of-phase REM sleep fuels dissociative symptomatology. Further research is warranted to explore the psychopathological ramifications of Llewellyn's theory.

  4. [Differential diagnosis between dissociative disorders and schizophrenia].

    Science.gov (United States)

    Shibayama, Masatoshi

    2011-01-01

    The differential diagnosis of dissociative disorders includes many psychiatric disorders, such as schizophrenia, bipolar disorders (especially bipolar II disorder), depressive disorder (especially atypical depression), epilepsy, Asperger syndrome, and borderline personality disorder. The theme of this paper is the differential diagnosis between dissociative disorders and schizophrenia. Schneiderian first-rank symptoms in schizophrenia are common in dissociative disorders, especially in dissociative identity disorder (DID). Many DID patients have been misdiagnosed as schizophrenics and treated with neuroleptics. We compared and examined Schneiderian symptoms of schizophrenia and those of dissociative disorders from a structural viewpoint. In dissociative disorders, delusional perception and somatic passivity are not seen. "Lateness" and "Precedence of the Other" originated from the concept of "Pattern Reversal" (H. Yasunaga)" is characteristic of schizophrenia. It is important to check these basic structure of schizophrenia in subjective experiences in differential diagnosis between dissociative disorders and schizophrenia.

  5. Inelastic low-energy collisions of electrons with HeH+: Rovibrational excitation and dissociative recombination

    Science.gov (United States)

    Čurík, Roman; Greene, Chris H.

    2017-08-01

    Inelastic low-energy (0-1 eV) collisions of electrons with HeH+ cations are treated theoretically, with a focus on the rovibrational excitation and dissociative recombination (DR) channels. In an application of ab initio multichannel quantum defect theory, the description of both processes is based on the Born-Oppenheimer quantum defects. The quantum defects were determined using the R-matrix approach in two different frames of reference: the center-of-charge and the center-of-mass frames. The results obtained in the two reference systems, after implementing the Fano-Jungen style rovibrational frame-transformation technique, show differences in the rate of convergence for these two different frames of reference. We find good agreement with the available theoretically predicted rotationally inelastic thermal rate coefficients. Our computed DR rate also agrees well with the available experimental results. Moreover, several computational experiments shed light on the role of rotational and vibrational excitations in the indirect DR mechanism that governs the low energy HeH+ dissociation process. While the rotational excitation is several orders of magnitude more probable process at the studied collision energies, the closed-channel resonances described by the high-n, rotationally excited neutral molecules of HeH contribute very little to the dissociation probability. But the situation is very different for resonances defined by the high-n, vibrationally excited HeH molecules, which are found to dissociate with approximately 90% probability.

  6. [Clinical Handling of Patients with Dissociative Disorders].

    Science.gov (United States)

    Okano, Kenichiro

    2015-01-01

    This paper discusses the way informed psychiatrists are expected to handle dissociative patients in clinical situations, with a specific focus on dissociative identity disorders and dissociative fugue. On the initial interview with dissociative patients, information on their history of trauma and any nascent dissociative symptoms in their childhood should be carefully obtained. Their level of stress in their current life should also be assessed in order to understand their symptomatology, as well as to predict their future clinical course. A psychoeducational approach is crucial; it might be helpful to give information on dissociative disorder to these patients as well as their family members in order to promote their adherence to treatment. Regarding the symptomatology of dissociative disorders, detailed symptoms and the general clinical course are presented. It was stressed that dissociative identity disorder and dissociative fugue, the most high-profile dissociative disorders, are essentially different in their etiology and clinical presentation. Dissociative disorders are often confused with and misdiagnosed as psychotic disorders, such as schizophrenia. Other conditions considered in terms of the differential diagnosis include borderline personality disorder as well as temporal lobe epilepsy. Lastly, the therapeutic approach to dissociative identity disorder is discussed. Each dissociative identity should be understood as potentially representing some traumatically stressful event in the past. The therapist should be careful not to excessively promote the creation or elaboration of any dissociative identities. Three stages are proposed in the individual psychotherapeutic process. In the initial stage, a secure environment and stabilization of symptoms should be sought. The second stage consists of aiding the "host" personality to make use of other more adaptive coping skills in their life. The third stage involves coaching as well as continuous awareness of

  7. Prevalence of dissociative disorders in psychiatric outpatients.

    Science.gov (United States)

    Foote, Brad; Smolin, Yvette; Kaplan, Margaret; Legatt, Michael E; Lipschitz, Deborah

    2006-04-01

    The purpose of the study was to assess the prevalence of DSM-IV dissociative disorders in an inner-city outpatient psychiatric population. Subjects were 231 consecutive admissions (84 men and 147 women, mean age=37 years) to an inner-city, hospital-based outpatient psychiatric clinic. The subjects completed self-report measures of dissociation (Dissociative Experiences Scale) and trauma history (Traumatic Experiences Questionnaire). Eighty-two patients (35%) completed a structured interview for dissociative disorders (Dissociative Disorders Interview Schedule). The 82 patients who were interviewed did not differ significantly on any demographic measure or on the self-report measures of trauma and dissociation from the 149 patients who were not interviewed. Twenty-four (29%) of the 82 interviewed patients received a diagnosis of a dissociative disorder. Dissociative identity disorder was diagnosed in five (6%) patients. Compared to the patients without a dissociative disorder diagnosis, patients with a dissociative disorder were significantly more likely to report childhood physical abuse (71% versus 27%) and childhood sexual abuse (74% versus 29%), but the two groups did not differ significantly on any demographic measure, including gender. Chart review revealed that only four (5%) patients in whom a dissociative disorder was identified during the study had previously received a dissociative disorder diagnosis. Dissociative disorders were highly prevalent in this clinical population and typically had not been previously diagnosed clinically. The high prevalence of dissociative disorders found in this study may be related to methodological factors (all patients were offered an interview rather than only those who had scored high on a screening self-report measure) and epidemiological factors (extremely high prevalence rates for childhood physical and sexual abuse were present in the overall study population).

  8. Reactor vibration reduction based on giant magnetostrictive materials

    Directory of Open Access Journals (Sweden)

    Yan Rongge

    2017-05-01

    Full Text Available 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.

  9. Thermal vibrational convection in a two-phase stratified liquid

    Science.gov (United States)

    Chang, Qingming; Alexander, J. Iwan D.

    2007-05-01

    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 the 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 the vibrational Rayleigh number and vibrational frequency on a two-phase stratified fluid system is much different from 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. To cite this article: Q. Chang, J.I.D. Alexander, C. R. Mecanique 335 (2007).

  10. Reactor vibration reduction based on giant magnetostrictive materials

    Science.gov (United States)

    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.

  11. Imaging study of vibrational predissociation of the HCl-acetylene dimer: pair-correlated distributions.

    Science.gov (United States)

    Li, Guosheng; Parr, Jessica; Fedorov, Igor; Reisler, Hanna

    2006-07-07

    The state-to-state predissociation dynamics of the HCl-acetylene dimer were studied following excitation in the asymmetric C-H (asym-CH) stretch and the HCl stretch. Velocity map imaging (VMI) and resonance enhanced multiphoton ionization (REMPI) were used to determine pair-correlated product energy distributions. Different vibrational predissociation mechanisms were observed for the two excited vibrational levels. Following excitation in the of the asym-CH stretch fundamental, HCl fragments in upsilon = 0 and j = 4-7 were observed and no HCl in upsilon = 1 was detected. The fragments' center-of-mass (c.m.) translational energy distributions were derived from images of HCl (j = 4-7), and were converted to rotational state distributions of the acetylene co-fragment by assuming that acetylene is generated with one quantum of C-C stretch (nu(2)) excitation. The acetylene pair-correlated rotational state distributions agree with the predictions of the statistical phase space theory, restricted to acetylene fragments in 1nu(2). It is concluded that the predissociation mechanism is dominated by the initial coupling of the asym-CH vibration to a combination of C-C stretch and bending modes in the acetylene moiety. Vibrational energy redistribution (IVR) between acetylene bending and the intermolecular dimer modes leads to predissociation that preserves the C-C stretch excitation in the acetylene product while distributing the rest of the available energy statistically. The predissociation mechanism following excitation in the Q band of the dimer's HCl stretch fundamental was quite different. HCl (upsilon = 0) rotational states up to j = 8 were observed. The rovibrational state distributions in the acetylene co-fragment derived from HCl (j = 6-8) images were non-statistical with one or two quanta in acetylene bending vibrational excitation. From the observation that all the HCl(j) translational energy distributions were similar, it is proposed that there exists a

  12. High-accuracy calculations of the rotation-vibration spectrum of {{\\rm{H}}}_{3}^{+}

    Science.gov (United States)

    Tennyson, Jonathan; Polyansky, Oleg L.; Zobov, Nikolai F.; Alijah, Alexander; Császár, Attila G.

    2017-12-01

    Calculation of the rotation-vibration spectrum of {{{H}}}3+, as well as of its deuterated isotopologues, with near-spectroscopic accuracy requires the development of sophisticated theoretical models, methods, and codes. The present paper reviews the state-of-the-art in these fields. Computation of rovibrational states on a given potential energy surface (PES) has now become standard for triatomic molecules, at least up to intermediate energies, due to developments achieved by the present authors and others. However, highly accurate Born–Oppenheimer energies leading to highly accurate PESs are not accessible even for this two-electron system using conventional electronic structure procedures (e.g. configuration-interaction or coupled-cluster techniques with extrapolation to the complete (atom-centered Gaussian) basis set limit). For this purpose, highly specialized techniques must be used, e.g. those employing explicitly correlated Gaussians and nonlinear parameter optimizations. It has also become evident that a very dense grid of ab initio points is required to obtain reliable representations of the computed points extending from the minimum to the asymptotic limits. Furthermore, adiabatic, relativistic, and quantum electrodynamic correction terms need to be considered to achieve near-spectroscopic accuracy during calculation of the rotation-vibration spectrum of {{{H}}}3+. The remaining and most intractable problem is then the treatment of the effects of non-adiabatic coupling on the rovibrational energies, which, in the worst cases, may lead to corrections on the order of several cm‑1. A promising way of handling this difficulty is the further development of effective, motion- or even coordinate-dependent, masses and mass surfaces. Finally, the unresolved challenge of how to describe and elucidate the experimental pre-dissociation spectra of {{{H}}}3+ and its isotopologues is discussed.

  13. Optomechanical proposal for monitoring microtubule mechanical vibrations

    Science.gov (United States)

    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.

  14. Vibronically coherent ultrafast triplet-pair formation and subsequent thermally activated dissociation control efficient endothermic singlet fission

    Science.gov (United States)

    Stern, Hannah L.; Cheminal, Alexandre; Yost, Shane R.; Broch, Katharina; Bayliss, Sam L.; Chen, Kai; Tabachnyk, Maxim; Thorley, Karl; Greenham, Neil; Hodgkiss, Justin M.; Anthony, John; Head-Gordon, Martin; Musser, Andrew J.; Rao, Akshay; Friend, Richard H.

    2017-12-01

    Singlet exciton fission (SF), the conversion of one spin-singlet exciton (S1) into two spin-triplet excitons (T1), could provide a means to overcome the Shockley-Queisser limit in photovoltaics. SF as measured by the decay of S1 has been shown to occur efficiently and independently of temperature, even when the energy of S1 is as much as 200 meV less than that of 2T1. Here we study films of triisopropylsilyltetracene using transient optical spectroscopy and show that the triplet pair state (TT), which has been proposed to mediate singlet fission, forms on ultrafast timescales (in 300 fs) and that its formation is mediated by the strong coupling of electronic and vibrational degrees of freedom. This is followed by a slower loss of singlet character as the excitation evolves to become only TT. We observe the TT to be thermally dissociated on 10-100 ns timescales to form free triplets. This provides a model for 'temperature-independent' efficient TT formation and thermally activated TT separation.

  15. Experimentally-induced dissociation impairs visual memory.

    Science.gov (United States)

    Brewin, Chris R; Mersaditabari, Niloufar

    2013-12-01

    Dissociation is a phenomenon common in a number of psychological disorders and has been frequently suggested to impair memory for traumatic events. In this study we explored the effects of dissociation on visual memory. A dissociative state was induced experimentally using a mirror-gazing task and its short-term effects on memory performance were investigated. Sixty healthy individuals took part in the experiment. Induced dissociation impaired visual memory performance relative to a control condition; however, the degree of dissociation was not associated with lower memory scores in the experimental group. The results have theoretical and practical implications for individuals who experience frequent dissociative states such as patients with posttraumatic stress disorder (PTSD). Copyright © 2013 Elsevier Inc. All rights reserved.

  16. Mirror Writing and a Dissociative Identity Disorder

    OpenAIRE

    Le, Catherine; Smith, Joyce; Cohen, Lewis

    2009-01-01

    Individuals with dissociative identity disorder (DID) have been known to show varied skills and talents as they change from one dissociative state to another. For example, case reports have described people who have changed their handedness or have spoken foreign languages during their dissociative states. During an interview with a patient with DID, a surprising talent emerged when she wrote a sentence for the Folstein Mini-Mental State Exam—mirror writing. It is not known whether her mirror...

  17. Dislocation and dissociation of bipolar hip hemiarthroplasty.

    Science.gov (United States)

    Moriarity, Andrew; Ellanti, Prasad; Talha, Samir; McKenna, John

    2015-07-15

    Hemiarthroplasty of the hip is a commonly performed procedure for subcapital neck of femur fractures. Dislocation of the hemiarthroplasty is a recognised but uncommon complication. Dislocations can be complicated by the uncoupling or dissociation of the femoral head component from the femoral stem. Dissociations are rare and require open reduction. We present a case of a patient with a hip hemiarthroplasty dislocation and dissociation subsequent to a fall. 2015 BMJ Publishing Group Ltd.

  18. Off-resonant vibrational excitation: Orientational dependence and spatial control of photofragments

    DEFF Research Database (Denmark)

    Machholm, Mette; Henriksen, Niels Engholm

    2000-01-01

    -dependent response to the IR fields is due to the anharmonicity of the potential. A subsequent ultraviolet laser pulse in resonance at the outer turning point of the vibrational motion can then dissociate the oscillating molecules, all with the same orientation, leading to spatial control of the photofragment......Off-resonant and resonant vibrational excitation with short intense infrared (IR) laser pulses creates localized oscillating wave packets, but differs by the efficiency of the excitation and surprisingly by the orientational dependence. Orientational selectivity of the vibrational excitation...

  19. Unusual chemical bonding in the beryllium dimer and its twelve vibrational levels

    Science.gov (United States)

    Mitin, A. V.

    2017-08-01

    The ab initio calculations have shown that the atoms in the beryllium dimer are covalently bound at the low-lying vibrational energy levels with ν = 0-4, while at the higher levels with ν = 5-11 the atoms are bonded by the van der Waals forces near the right turning points. The developed ab initio modified EMO potential function, in distinction with the original EMO function, which was used for a description of the experimental vibrational levels, not only has the correct dissociation energy, but also describes all twelve vibrational energy levels with a smaller RMS error of less than 0.4 cm-1.

  20. Dissociation, Epileptiform Discharges and Chaos in the Brain: Toward a Neuroscientific Theory of Dissociation

    National Research Council Canada - National Science Library

    Bob, Petr

    2012-01-01

    ... of somatic symptoms or seizures. For the explanation of these connections between dissociative states and epileptic discharges the author proposes a neuroscientific model of dissociation based on the theory of competitive neural...

  1. Mirror Writing and a Dissociative Identity Disorder

    Directory of Open Access Journals (Sweden)

    Catherine Le

    2009-01-01

    Full Text Available Individuals with dissociative identity disorder (DID have been known to show varied skills and talents as they change from one dissociative state to another. For example, case reports have described people who have changed their handedness or have spoken foreign languages during their dissociative states. During an interview with a patient with DID, a surprising talent emerged when she wrote a sentence for the Folstein Mini-Mental State Exam—mirror writing. It is not known whether her mirror writing had a deeper level of meaning; however, it does emphasize the idiosyncratic nature of dissociative identity disorder.

  2. Mirror writing and a dissociative identity disorder.

    Science.gov (United States)

    Le, Catherine; Smith, Joyce; Cohen, Lewis

    2009-01-01

    Individuals with dissociative identity disorder (DID) have been known to show varied skills and talents as they change from one dissociative state to another. For example, case reports have described people who have changed their handedness or have spoken foreign languages during their dissociative states. During an interview with a patient with DID, a surprising talent emerged when she wrote a sentence for the Folstein Mini-Mental State Exam-mirror writing. It is not known whether her mirror writing had a deeper level of meaning; however, it does emphasize the idiosyncratic nature of dissociative identity disorder.

  3. Dissociative identity disorder in psychiatric inpatients.

    Science.gov (United States)

    Rifkin, A; Ghisalbert, D; Dimatou, S; Jin, C; Sethi, M

    1998-06-01

    The aim of this study was to replicate reports of a high rate of dissociative identity disorder in psychiatric inpatients. Subjects were 100 randomly selected women, 16-50 years old, who had recently been admitted to an acute psychiatric hospital. Diagnoses were made by two interviewers through use of the Structured Clinical Interview for DSM-IV Dissociative Disorders. One percent (N = 1) of the interviewed subjects had dissociative identity disorder. Contrary to previous studies, the authors found a low rate of dissociative identity disorder, perhaps because of the different methodology used.

  4. Dissociation of recombinant prion autocatalysis from infectivity

    National Research Council Canada - National Science Library

    Noble, Geoffrey P; Supattapone, Surachai

    2015-01-01

    .... To understand this dissociation of autocatalysis from infectivity, we recently performed a structural and functional comparison between a highly infectious and non-infectious pair of autocatalytic...

  5. Computational Fluid Dynamic Analysis of a Vibrating Turbine Blade

    Directory of Open Access Journals (Sweden)

    Osama N. Alshroof

    2012-01-01

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

  6. First principle and ReaxFF molecular dynamics investigations of formaldehyde dissociation on Fe(100) surface.

    Science.gov (United States)

    Yamada, Takahiro; Phelps, Donald K; van Duin, Adri C T

    2013-09-05

    Detailed formaldehyde adsorption and dissociation reactions on Fe(100) surface were studied using first principle calculations and molecular dynamics (MD) simulations, and results were compared with available experimental data. The study includes formaldehyde, formyl radical (HCO), and CO adsorption and dissociation energy calculations on the surface, adsorbate vibrational frequency calculations, density of states analysis of clean and adsorbed surfaces, complete potential energy diagram construction from formaldehyde to atomic carbon (C), hydrogen (H), and oxygen (O), simulation of formaldehyde adsorption and dissociation reaction on the surface using reactive force field, ReaxFF MD, and reaction rate calculations of adsorbates using transition state theory (TST). Formaldehyde and HCO were adsorbed most strongly at the hollow (fourfold) site. Adsorption energies ranged from -22.9 to -33.9 kcal/mol for formaldehyde, and from -44.3 to -66.3 kcal/mol for HCO, depending on adsorption sites and molecular direction. The dissociation energies were investigated for the dissociation paths: formaldehyde → HCO + H, HCO → H + CO, and CO → C + O, and the calculated energies were 11.0, 4.1, and 26.3 kcal/mol, respectively. ReaxFF MD simulation results were compared with experimental surface analysis using high resolution electron energy loss spectrometry (HREELS) and TST based reaction rates. ReaxFF simulation showed less reactivity than HREELS observation at 310 and 523 K. ReaxFF simulation showed more reactivity than the TST based rate for formaldehyde dissociation and less reactivity than TST based rate for HCO dissociation at 523 K. TST-based rates are consistent with HREELS observation. © 2013 Wiley Periodicals, Inc.

  7. Full-dimensional diabatic potential energy surfaces including dissociation: the ²E″ state of NO₃.

    Science.gov (United States)

    Eisfeld, Wolfgang; Vieuxmaire, Olivier; Viel, Alexandra

    2014-06-14

    A scheme to produce accurate full-dimensional coupled diabatic potential energy surfaces including dissociative regions and suitable for dynamical calculations is proposed. The scheme is successfully applied to model the two-sheeted surface of the (2)E″ state of the NO3 radical. An accurate potential energy surface for the NO₃⁻ anion ground state is developed as well. Both surfaces are based on high-level ab initio calculations. The model consists of a diabatic potential matrix, which is expanded to higher order in terms of symmetry polynomials of symmetry coordinates. The choice of coordinates is key for the accuracy of the obtained potential energy surfaces and is discussed in detail. A second central aspect is the generation of reference data to fit the expansion coefficients of the model for which a stochastic approach is proposed. A third ingredient is a new and simple scheme to handle problematic regions of the potential energy surfaces, resulting from the massive undersampling by the reference data unavoidable for high-dimensional problems. The final analytical diabatic surfaces are used to compute the lowest vibrational levels of NO₃⁻ and the photo-electron detachment spectrum of NO₃⁻ leading to the neutral radical in the (2)E″ state by full dimensional multi-surface wave-packet propagation for NO3 performed using the Multi-Configuration Time Dependent Hartree method. The achieved agreement of the simulations with available experimental data demonstrates the power of the proposed scheme and the high quality of the obtained potential energy surfaces.

  8. Dissociative identity disorder: Medicolegal challenges.

    Science.gov (United States)

    Farrell, Helen M

    2011-01-01

    Persons with dissociative identity disorder (DID) often present in the criminal justice system rather than the mental health system and perplex experts in both professions. DID is a controversial diagnosis with important medicolegal implications. Defendants have claimed that they committed serious crimes, including rape or murder, while they were in a dissociated state. Asserting that their alter personality committed the bad act, defendants have pleaded not guilty by reason of insanity (NGRI). In such instances, forensic experts are asked to assess the defendant for DID and provide testimony in court. Debate continues over whether DID truly exists, whether expert testimony should be allowed into evidence, and whether it should exculpate defendants for their criminal acts. This article reviews historical and theoretical perspectives on DID, presents cases that illustrate the legal implications and controversies of raising an insanity defense based on multiple personalities, and examines the role of forensic experts asked to comment on DID with the goal of assisting clinicians in the medicolegal assessment of DID in relation to crimes.

  9. Dissociative symptoms and dissociative disorder comorbidity in patients with obsessive-compulsive disorder.

    Science.gov (United States)

    Belli, Hasan; Ural, Cenk; Vardar, Melek Kanarya; Yesılyurt, Sema; Oncu, Fatıh

    2012-10-01

    The present study attempted to assess the dissociative symptoms and overall dissociative disorder comorbidity in patients with obsessive-compulsive disorder (OCD). In addition, we examined the relationship between the severity of obsessive-compulsive symptoms and dissociative symptoms. All patients admitted for the first time to the psychiatric outpatient unit were included in the study. Seventy-eight patients had been diagnosed as having OCD during the 2-year study period. Patients had to meet the Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition criteria for OCD. Most (76.9%; n = 60) of the patients were female, and 23.1% (n = 18) of the patients were male. Dissociation Questionnaire was used to measure dissociative symptoms. The Structured Clinical Interview for Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition Dissociative Disorders interviews and Yale-Brown Obsessive Compulsive Checklist and Severity Scale were used. Eleven (14%) of the patients with OCD had comorbid dissociative disorder. The most prevalent disorder in our study was dissociative depersonalization disorder. Dissociative amnesia and dissociative identity disorder were common as well. The mean Yale-Brown score was 23.37 ± 7.27 points. Dissociation Questionnaire scores were between 0.40 and 3.87 points, and the mean was 2.23 ± 0.76 points. There was a statistically significant positive correlation between Yale-Brown points and Dissociation Questionnaire points. We conclude that dissociative symptoms among patients with OCD should alert clinicians for the presence of a chronic and complex dissociative disorder. Clinicians may overlook an underlying dissociative process in patients who have severe symptoms of OCD. However, a lack of adequate response to cognitive-behavioral and drug therapy may be a consequence of dissociative process. Copyright © 2012 Elsevier Inc. All rights reserved.

  10. Model Indepedent Vibration Control

    OpenAIRE

    Yuan, Jing

    2010-01-01

    A NMIFC system is proposed for broadband vibration control. It has two important features. Feature F1 is that the NMIFC is stable without introducing any invasive effects, such as probing signals or controller perturbations, into the vibration system; feature F2 is

  11. Vibration Theory, Vol. 3

    DEFF Research Database (Denmark)

    Nielsen, Søren R. K.

    The present textbook has been written based on previous lecture notes for a course on stochastic vibration theory that is being given on the 9th semester at Aalborg University for M. Sc. students in structural engineering. The present 4th edition of this textbook on linear stochastic vibration...

  12. Vibration Theory, Vol. 3

    DEFF Research Database (Denmark)

    Nielsen, Søren R. K.

    The present textbook has been written based on previous lecture notes for a course on stochastic vibration theory that is being given on the 9th semester at Aalborg University for M. Sc. students in structural engineering. The present 2nd edition of this textbook on linear stochastic vibration...

  13. Hydroelastic Vibrations of Ships

    DEFF Research Database (Denmark)

    Jensen, Jørgen Juncher; Folsø, Rasmus

    2002-01-01

    A formula for the necessary hull girder bending stiffness required to avoid serious springing vibrations is derived. The expression takes into account the zero crossing period of the waves, the ship speed and main dimensions. For whipping vibrations the probability of exceedance for the combined...

  14. Gearbox vibration diagnostic analyzer

    Science.gov (United States)

    1992-01-01

    This report describes the Gearbox Vibration Diagnostic Analyzer installed in the NASA Lewis Research Center's 500 HP Helicopter Transmission Test Stand to monitor gearbox testing. The vibration of the gearbox is analyzed using diagnostic algorithms to calculate a parameter indicating damaged components.

  15. Mechanical vibration to electrical energy converter

    Science.gov (United States)

    Kellogg, Rick Allen [Tijeras, NM; Brotz, Jay Kristoffer [Albuquerque, NM

    2009-03-03

    Electromechanical devices that generate an electrical signal in response to an external source of mechanical vibrations can operate as a sensor of vibrations and as an energy harvester for converting mechanical vibration to electrical energy. The devices incorporate a magnet that is movable through a gap in a ferromagnetic circuit, wherein a coil is wound around a portion of the ferromagnetic circuit. A flexible coupling is used to attach the magnet to a frame for providing alignment of the magnet as it moves or oscillates through the gap in the ferromagnetic circuit. The motion of the magnet can be constrained to occur within a substantially linear range of magnetostatic force that develops due to the motion of the magnet. The devices can have ferromagnetic circuits with multiple arms, an array of magnets having alternating polarity and, encompass micro-electromechanical (MEM) devices.

  16. Mechanical vibration and shock analysis, sinusoidal vibration

    CERN Document Server

    Lalanne, Christian

    2014-01-01

    Everything engineers need to know about mechanical vibration and shock...in one authoritative reference work! This fully updated and revised 3rd edition addresses the entire field of mechanical vibration and shock as one of the most important types of load and stress applied to structures, machines and components in the real world. Examples include everything from the regular and predictable loads applied to turbines, motors or helicopters by the spinning of their constituent parts to the ability of buildings to withstand damage from wind loads or explosions, and the need for cars to m

  17. Analysis of a Lorentz force based vibration exciter using permanent ...

    Indian Academy of Sciences (India)

    This work presents performance analysis of a Lorentz force based noncontact vibration exciter by mounting a couple of permanent magnets on a piezoelectric stack. A conductor is attached to the structure to be excited and is placed midway between unlike poles of a couple of permanent magnets. The permanent magnets ...

  18. From dissociation to trauma? Individual differences in dissociation as predictor of 'trauma' perception

    NARCIS (Netherlands)

    Rassin, Eric; van Rootselaar, Anne-Fleur

    2006-01-01

    In clinical literature, dissociative complaints are generally considered to be the result of traumatic experiences. However, it has been argued that dissociative complaints, in turn, may indulge over-reporting of traumatic experiences. Hence, correlations between dissociation and self-reported

  19. Dissociation in patients with dissociative seizures: relationships with trauma and seizure symptoms.

    Science.gov (United States)

    Pick, S; Mellers, J D C; Goldstein, L H

    2017-05-01

    This study aimed to extend the current understanding of dissociative symptoms experienced by patients with dissociative (psychogenic, non-epileptic) seizures (DS), including psychological and somatoform types of symptomatology. An additional aim was to assess possible relationships between dissociation, traumatic experiences, post-traumatic symptoms and seizure manifestations in this group. A total of 40 patients with DS were compared with a healthy control group (n = 43), matched on relevant demographic characteristics. Participants completed several self-report questionnaires, including the Multiscale Dissociation Inventory (MDI), Somatoform Dissociation Questionnaire-20, Traumatic Experiences Checklist and the Post-Traumatic Diagnostic Scale. Measures of seizure symptoms and current emotional distress (Hospital Anxiety and Depression Scale) were also administered. The clinical group reported significantly more psychological and somatoform dissociative symptoms, trauma, perceived impact of trauma, and post-traumatic symptoms than controls. Some dissociative symptoms (i.e. MDI disengagement, MDI depersonalization, MDI derealization, MDI memory disturbance, and somatoform dissociation scores) were elevated even after controlling for emotional distress; MDI depersonalization scores correlated positively with trauma scores while seizure symptoms correlated with MDI depersonalization, derealization and identity dissociation scores. Exploratory analyses indicated that somatoform dissociation specifically mediated the relationship between reported sexual abuse and DS diagnosis, along with depressive symptoms. A range of psychological and somatoform dissociative symptoms, traumatic experiences and post-traumatic symptoms are elevated in patients with DS relative to healthy controls, and seem related to seizure manifestations. Further studies are needed to explore peri-ictal dissociative experiences in more detail.

  20. Vibrations of rotating machinery

    CERN Document Server

    Matsushita, Osami; Kanki, Hiroshi; Kobayashi, Masao; Keogh, Patrick

    2017-01-01

    This book opens with an explanation of the vibrations of a single degree-of-freedom (dof) system for all beginners. Subsequently, vibration analysis of multi-dof systems is explained by modal analysis. Mode synthesis modeling is then introduced for system reduction, which aids understanding in a simplified manner of how complicated rotors behave. Rotor balancing techniques are offered for rigid and flexible rotors through several examples. Consideration of gyroscopic influences on the rotordynamics is then provided and vibration evaluation of a rotor-bearing system is emphasized in terms of forward and backward whirl rotor motions through eigenvalue (natural frequency and damping ratio) analysis. In addition to these rotordynamics concerning rotating shaft vibration measured in a stationary reference frame, blade vibrations are analyzed with Coriolis forces expressed in a rotating reference frame. Other phenomena that may be assessed in stationary and rotating reference frames include stability characteristic...

  1. An electroactive polymer based concept for vibration reduction via adaptive supports

    Science.gov (United States)

    Wolf, Kai; Röglin, Tobias; Haase, Frerk; Finnberg, Torsten; Steinhoff, Bernd

    2008-03-01

    A concept for the suppression of resonant vibration of an elastic system undergoing forced vibration coupled to electroactive polymer (EAP) actuators based on dielectric elastomers is demonstrated. The actuators are utilized to vary the stiffness of the end support of a clamped beam, which is forced to harmonic vibration via a piezoelectric patch. Due to the nonlinear dependency of the elastic modulus of the EAP material, the modulus can be changed by inducing an electrostrictive deformation. The resulting change in stiffness of the EAP actuator leads to a shift of the resonance frequencies of the vibrating beam, enabling an effective reduction of the vibration amplitude by an external electric signal. Using a custom-built setup employing an aluminum vibrating beam coupled on both sides to electrodized strips of VHB tape, a significant reduction of the resonance amplitude was achieved. The effectiveness of this concept compared to other active and passive concepts of vibration reduction is discussed.

  2. Stability Analysis of Methane Hydrate-Bearing Soils Considering Dissociation

    Directory of Open Access Journals (Sweden)

    Hiromasa Iwai

    2015-06-01

    Full Text Available It is well known that the methane hydrate dissociation process may lead to unstable behavior such as large ground deformations, uncontrollable gas production, etc. A linear instability analysis was performed in order to investigate which variables have a significant effect on the onset of the instability behavior of methane hydrate-bearing soils subjected to dissociation. In the analysis a simplified viscoplastic constitutive equation is used for the soil sediment. The stability analysis shows that the onset of instability of the material system mainly depends on the strain hardening-softening parameter, the degree of strain, and the permeability for water and gas. Then, we conducted a numerical analysis of gas hydrate-bearing soil considering hydrate dissociation in order to investigate the effect of the parameters on the system. The simulation method used in the present study can describe the chemo-thermo-mechanically coupled behaviors such as phase changes from hydrates to water and gas, temperature changes and ground deformation. From the numerical results, we found that basically the larger the permeability for water and gas is, the more stable the simulation results are. These results are consistent with those obtained from the linear stability analysis.

  3. Molecular dynamics study of thermal-driven methane hydrate dissociation.

    Science.gov (United States)

    English, Niall J; Phelan, Gráinne M

    2009-08-21

    Nonequilibrium molecular dynamics simulations have been performed to investigate the thermal-driven breakup of both spherical methane hydrate nanocrystallites (with radii of approximately 18 and 21 A) and planar methane hydrate interfaces in liquid water at 280-340 K. The melting temperatures of each cluster were estimated, and dissociation was observed to be strongly dependent on temperature, with higher dissociation rates at larger overtemperatures vis-a-vis melting. For the 18 and 21 A radius nanocrystals, breakup was also seen to be dependent on cluster size, and different methane compositions (85%, 95%, and 100% of maximum theoretical occupation) in the planar case also lead to slight differences in the initial dissociation rate. In all cases, the diffusion of the methane into the surrounding liquid water was found to be an important step limiting the overall rate of breakup. A simple coupled mass and heat transfer model has been devised for both the spherical and planar hydrate systems that explains these findings, and distinguishes between the role of the overall thermal driving force and methane diffusional mass transfer in controlling the break-up rate.

  4. Vibrational relaxation pathways of AI and AII modes in N-methylacetamide clusters.

    Science.gov (United States)

    Piatkowski, L; Bakker, H J

    2010-11-04

    We studied the pathways of vibrational energy relaxation of the amide I (~1660 cm⁻¹) and amide II (~1560 cm⁻¹) vibrational modes of N-methylacetamide (NMA) in CCl₄ solution using two-color femtosecond vibrational spectroscopy. We measured the transient spectral dynamics upon excitation of each of these amide modes. The results show that there is no energy transfer between the amide I (AI) and amide II (AII) modes. Instead we find that the vibrational energy is transferred on a picosecond time scale to a common combination tone of lower-frequency modes. By use of polarization-resolved femtosecond pump-probe measurements we also study the reorientation dynamics of the NMA molecules and the relative angle between the transition dipole moments of the AI and AII vibrations. The spectral dynamics at later times after the excitation (>40 ps) reveal the presence of a dissociation process of the NMA aggregates, trimers, and higher order structures into dimers and monomers. By measuring the dissociation kinetics at different temperatures, we determined the activation energy of this dissociation E(a) = 35 ± 3 kJ mol⁻¹.

  5. A hybrid nonlinear vibration energy harvester

    Science.gov (United States)

    Yang, Wei; Towfighian, Shahrzad

    2017-06-01

    Vibration energy harvesting converts mechanical energy from ambient sources to electricity to power remote sensors. Compared to linear resonators that have poor performance away from their natural frequency, nonlinear vibration energy harvesters perform better because they use vibration energy over a broader spectrum. We present a hybrid nonlinear energy harvester that combines bi-stability with internal resonance to increase the frequency bandwidth. A two-fold increase in the frequency bandwidth can be obtained compared to a bi-stable system with fixed magnets. The harvester consists of a piezoelectric cantilever beam carrying a movable magnet facing a fixed magnet. A spring allows the magnet to move along the beam and it provides an extra stored energy to further increase the amplitude of vibration acting as a mechanical amplifier. An electromechanically coupled mathematical model of the system is presented to obtain the dynamic response of the cantilever beam, the movable magnet and the output voltage. The perturbation method of multiple scales is applied to solve these equations and obtain approximate analytical solutions. The effects of various system parameters on the frequency responses are investigated. The numerical approaches of the long time integration (Runge-Kutta method) and the shooting technique are used to verify the analytical results. The results of this study can be used to improve efficiency in converting wasted mechanical vibration to useful electrical energy by broadening the frequency bandwidth.

  6. Dissociation and the Development of Psychopathology.

    Science.gov (United States)

    Putnam, Frank W.; Trickett, Penelope K.

    This paper reviews the research on dissociation and the development of psychopathology in children and adolescents. Definitions and dimensions of dissociation are addressed, noting its range from normative daydreaming to the extremes found in individuals with multiple personality disorder. Memory dysfunctions, disturbances of identity, passive…

  7. Coulomb dissociation of N-20,N-21

    NARCIS (Netherlands)

    Roeder, Marko; Adachi, Tatsuya; Aksyutina, Yulia; Alcantara, Juan; Altstadt, Sebastian; Alvarez-Pol, Hector; Ashwood, Nicholas; Atar, Leyla; Aumann, Thomas; Avdeichikov, Vladimir; Barr, M.; Beceiro, Saul; Bemmerer, Daniel; Benlliure, Jose; Bertulani, Carlos; Boretzky, Konstanze; Borge, Maria J. G.; Burgunder, G.; Caamano, Manuel; Caesar, Christoph; Casarejos, Enrique; Catford, Wilton; Cederkall, Joakim; Chakraborty, S.; Chartier, Marielle; Chulkov, Leonid; Cortina-Gil, Dolores; Crespo, Raquel; Pramanik, Ushasi Datta; Diaz-Fernandez, Paloma; Dillmann, Iris; Elekes, Zoltan; Enders, Joachim; Ershova, Olga; Estrade, A.; Farinon, F.; Fraile, Luis M.; Freer, Martin; Freudenberger, M.; Fynbo, Hans; Galaviz, Daniel; Geissel, Hans; Gernhaeuser, Roman; Goebel, Kathrin; Golubev, Pavel; Diaz, D. Gonzalez; Hagdahl, Julius; Heftrich, Tanja; Heil, Michael; Heine, Marcel; Heinz, Andreas; Henriques, Ana; Holl, Matthias; Ickert, G.; Ignatov, Alexander; Jakobsson, Bo; Johansson, Hakan; Jonson, Bjorn; Kalantar-Nayestanaki, Nasser; Kanungo, Rituparna; Kelic-Heil, Aleksandra; Knoebel, Ronja; Kroell, Thorsten; Kruecken, Reiner; Kurcewicz, J.; Kurz, Nikolaus; Labiche, Marc; Langer, Christoph; Le Bleis, Tudi; Lemmon, Roy; Lepyoshkina, Olga; Lindberg, Simon; Machado, Jorge; Marganiec, Justyna; Mostazo Caro, Magdalena; Movsesyan, Alina; Najafi, Mohammad Ali; Nilsson, Thomas; Nociforo, Chiara; Panin, Valerii; Paschalis, Stefanos; Perea, Angel; Petri, Marina; Pietri, S.; Plag, Ralf; Prochazka, A.; Rahaman, Md. Anisur; Rastrepina, Ganna; Reifarth, Rene; Ribeiro, Guillermo; Ricciardi, M. Valentina; Rigollet, Catherine; Riisager, Karsten; Rossi, Dominic; del Rio Saez, Jose Sanchez; Savran, Deniz; Scheit, Heiko; Simon, Haik; Sorlin, Olivier; Stoica, V.; Streicher, Branislav; Taylor, Jon; Tengblad, Olof; Terashima, Satoru; Thies, Ronja; Togano, Yasuhiro; Uberseder, Ethan; Van de Walle, J.; Velho, Paulo; Volkov, Vasily; Wagner, Andreas; Wamers, Felix; Weick, Helmut; Weigand, Mario; Wheldon, Carl; Wilson, G.; Wimmer, Christine; Winfield, J. S.; Woods, Philip; Yakorev, Dmitry; Zhukov, Mikhail; Zilges, Andreas; Zuber, Kai

    2016-01-01

    Neutron-rich light nuclei and their reactions play an important role in the creation of chemical elements. Here, data from a Coulomb dissociation experiment on N-20,N-21 are reported. Relativistic N-20,N-21 ions impinged on a lead target and the Coulomb dissociation cross section was determined in a

  8. Dissociative chemisorption of methane on Ni(111)

    NARCIS (Netherlands)

    Krishna Mohan, Gangadharan Prasanna

    2010-01-01

    In this thesis we attempt to understand several aspects of the gas-surface physics/chemistry of (a) the dissociative chemisorption of CH4 on the Ni(111) surface and (b) N2 dissociation over the Ru(0001) surface. Apart from their industrial importance, these systems are regarded as prototypes for

  9. Quarkonium suppression: Gluonic dissociation vs. colour screening

    Indian Academy of Sciences (India)

    We evaluate the suppression of / production in an equilibrating quark gluon plasma for two competing mechanisms: Debye screening of colour interaction and dissociation due to energetic gluons. Results are obtained for S + S and Au + Au collisions at RHIC and LHC energies. At RHIC energies the gluonic dissociation ...

  10. Dissociative depression among women in the community.

    Science.gov (United States)

    Sar, Vedat; Akyüz, Gamze; Oztürk, Erdinç; Alioğlu, Firdevs

    2013-01-01

    This study screened the prevalence and correlates of dissociative disorders among depressive women in the general population. The Dissociative Disorders Interview Schedule and the posttraumatic stress disorder (PTSD) and borderline personality disorder sections of the Structured Clinical Interview for DSM-IV were administered to 628 women in 500 homes. The prevalence of current major depressive episode was 10.0%. Of the women, 26 (40.6%) had the lifetime diagnosis of a DSM-IV, dissociative disorder, yielding a prevalence of 4.1% for dissociative depression. This group was younger (mean age = 30.7 years) than the nondissociative depression women (mean age = 39.6 years). There was no difference between the 2 groups on comorbid somatization disorder, PTSD, or borderline personality disorder. Besides suicide attempts, the dissociative group was characterized by secondary features of dissociative identity disorder; Schneiderian symptoms; borderline personality disorder criteria; and extrasensory perceptions, including possession experiences. They reported suicidality, thoughts of guilt and worthlessness, diminished concentration and indecisiveness, and appetite and weight changes more frequently than the nondissociative group. Early cessation of school education and childhood sexual abuse were frequently reported by the dissociative depression group. With its distinct features, the concept of dissociative depression may facilitate understanding of treatment resistance in, development of better psychotherapy strategies for, and new thinking on the neurobiology and pharmacotherapy of depressive disorders.

  11. Verbal-Behavioral Dissociations in Development

    Science.gov (United States)

    Woolley, Jacqueline D.

    2006-01-01

    Verbal and behavioral measures of children's knowledge are frequently dissociated. These situations represent a largely untapped but important resource for furthering an understanding of human cognition. In this paper, verbal-behavioral dissociations in children are discussed and analyzed, drawing from a wide range of domains. The article explores…

  12. Numerical solutions of anharmonic vibration of BaO and SrO molecules

    Science.gov (United States)

    Pramudito, Sidikrubadi; Sanjaya, Nugraha Wanda; Sumaryada, Tony

    2016-03-01

    The Morse potential is a potential model that is used to describe the anharmonic behavior of molecular vibration between atoms. The BaO and SrO molecules, which are two almost similar diatomic molecules, were investigated in this research. Some of their properties like the value of the dissociation energy, the energy eigenvalues of each energy level, and the profile of the wavefunctions in their correspondence vibrational states were presented in this paper. Calculation of the energy eigenvalues and plotting the wave function's profiles were performed using Numerov method combined with the shooting method. In general we concluded that the Morse potential solved with numerical methods could accurately produce the vibrational properties and the wavefunction behavior of BaO and SrO molecules from the ground state to the higher states close to the dissociation level.

  13. An improved potential energy surface and multi-temperature quasiclassical trajectory calculations of N2 + N2 dissociation reactions.

    Science.gov (United States)

    Bender, Jason D; Valentini, Paolo; Nompelis, Ioannis; Paukku, Yuliya; Varga, Zoltan; Truhlar, Donald G; Schwartzentruber, Thomas; Candler, Graham V

    2015-08-07

    Accurate modeling of high-temperature hypersonic flows in the atmosphere requires consideration of collision-induced dissociation of molecular species and energy transfer between the translational and internal modes of the gas molecules. Here, we describe a study of the N2 + N2⟶N2 + 2N and N2 + N2⟶4N nitrogen dissociation reactions using the quasiclassical trajectory (QCT) method. The simulations used a new potential energy surface for the N4 system; the surface is an improved version of one that was presented previously. In the QCT calculations, initial conditions were determined based on a two-temperature model that approximately separates the translational-rotational temperature from the vibrational temperature of the N2 diatoms. Five values from 8000 K to 30,000 K were considered for each of the two temperatures. Over 2.4 × 10(9) trajectories were calculated. We present results for ensemble-averaged dissociation rate constants as functions of the translational-rotational temperature T and the vibrational temperature T(v). The rate constant depends more strongly on T when T(v) is low, and it depends more strongly on T(v) when T is low. Quasibound reactant states contribute significantly to the rate constants, as do exchange processes at higher temperatures. We discuss two sets of runs in detail: an equilibrium test set in which T = T(v) and a nonequilibrium test set in which T(v) energy and a minor loss of rotational energy. In the nonequilibrium test set, as T(v) decreases while T is fixed, higher-j molecules contribute more significantly to the dissociation rate, dissociating trajectories tend to result in a greater rotational energy loss, and the dissociation probability's dependence on v weakens. In this way, as T(v) decreases, rotational energy appears to compensate for the decline in average vibrational energy in promoting dissociation. In both the equilibrium and nonequilibrium test sets, in every case, the average total internal energy loss in the

  14. Molecular dissociation in dilute gas

    Science.gov (United States)

    Renfrow, S. N.; Duggan, J. L.; McDaniel, F. D.

    1999-06-01

    The charge state distributions (CSD) produced during molecular dissociation are important to both Trace Element Accelerator Mass Spectrometry (TEAMS) and the ion implantation industry. The CSD of 1.3-1.7 MeV SiN+, SiMg+, SiMn+, and SiZn+ molecules have been measured for elements that do not form atomic negative ions (N, Mg, Mn, and Zn) using a NEC Tandem Pelletron accelerator. The molecules were produced in a Cs sputter negative ion source, accelerated, magnetically analyzed, and then passed through an N2 gas cell. The neutral and charged breakups where analyzed using an electrostatic deflector and measured with particle detectors. Equilibrium CSD were determined and comparisons made between molecular and atomic ion data.

  15. Theory of dissociative tunneling ionization

    CERN Document Server

    Svensmark, Jens; Madsen, Lars Bojer

    2016-01-01

    We present a theoretical study of the dissociative tunneling ionization process. Analytic expressions for the nuclear kinetic energy distribution of the ionization rates are derived. A particularly simple expression for the spectrum is found by using the Born-Oppenheimer (BO) approximation in conjunction with the reflection principle. These spectra are compared to exact non-BO ab initio spectra obtained through model calculations with a quantum mechanical treatment of both the electronic and nuclear degrees freedom. In the regime where the BO approximation is applicable imaging of the BO nuclear wave function is demonstrated to be possible through reverse use of the reflection principle, when accounting appropriately for the electronic ionization rate. A qualitative difference between the exact and BO wave functions in the asymptotic region of large electronic distances is shown. Additionally the behavior of the wave function across the turning line is seen to be reminiscent of light refraction. For weak fiel...

  16. Dissociation and Memory Fragmentation in Posttraumatic Stress Disorder: An Evaluation of the Dissociative Encoding Hypothesis

    Science.gov (United States)

    Bedard-Gilligan, Michele; Zoellner, Lori A.

    2012-01-01

    Several prominent theories of posttraumatic stress disorder (PTSD) posit that peritraumatic dissociation results in insufficient encoding of the trauma memory and that persistent dissociation prevents memory elaboration, resulting in memory fragmentation and PTSD. In this review, we summarize the empirical literature on peritraumatic and trait dissociation and trauma narrative fragmentation as measured by meta-memory and rater/objective coding. Across 16 studies to date, the association between dissociation and fragmentation was most prominent when examining peritraumatic dissociation and patient's own ratings of memory fragmentation. This relationship did not hold when examining trait dissociation or rater-coded or computer-generated measures of fragmentation. Thus, initial evidence points more toward a strong self-reported association between constructs that is not supported on more objective fragmentation coding. Measurement overlap, construct ambiguity, and exclusion of potential confounds may underlie lack of a strong association between dissociation and objective-rated fragmentation. PMID:22348400

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

    Science.gov (United States)

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

    2015-09-01

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

  18. The Shutdown Dissociation Scale (Shut-D

    Directory of Open Access Journals (Sweden)

    Inga Schalinski

    2015-05-01

    Full Text Available The evolutionary model of the defense cascade by Schauer and Elbert (2010 provides a theoretical frame for a short interview to assess problems underlying and leading to the dissociative subtype of posttraumatic stress disorder. Based on known characteristics of the defense stages “fright,” “flag,” and “faint,” we designed a structured interview to assess the vulnerability for the respective types of dissociation. Most of the scales that assess dissociative phenomena are designed as self-report questionnaires. Their items are usually selected based on more heuristic considerations rather than a theoretical model and thus include anything from minor dissociative experiences to major pathological dissociation. The shutdown dissociation scale (Shut-D was applied in several studies in patients with a history of multiple traumatic events and different disorders that have been shown previously to be prone to symptoms of dissociation. The goal of the present investigation was to obtain psychometric characteristics of the Shut-D (including factor structure, internal consistency, retest reliability, predictive, convergent and criterion-related concurrent validity.A total population of 225 patients and 68 healthy controls were accessed. Shut-D appears to have sufficient internal reliability, excellent retest reliability, high convergent validity, and satisfactory predictive validity, while the summed score of the scale reliably separates patients with exposure to trauma (in different diagnostic groups from healthy controls.The Shut-D is a brief structured interview for assessing the vulnerability to dissociate as a consequence of exposure to traumatic stressors. The scale demonstrates high-quality psychometric properties and may be useful for researchers and clinicians in assessing shutdown dissociation as well as in predicting the risk of dissociative responding.

  19. Structural Stability and Vibration

    DEFF Research Database (Denmark)

    Wiggers, Sine Leergaard; Pedersen, Pauli

    This book offers an integrated introduction to the topic of stability and vibration. Strikingly, it describes stability as a function of boundary conditions and eigenfrequency as a function of both boundary conditions and column force. Based on a post graduate course held by the author at the Uni......This book offers an integrated introduction to the topic of stability and vibration. Strikingly, it describes stability as a function of boundary conditions and eigenfrequency as a function of both boundary conditions and column force. Based on a post graduate course held by the author...... and their derivation, thus stimulating them to write interactive and dynamic programs to analyze instability and vibrational modes....

  20. Lifetime broadening of atomic lines produced upon ultrafast dissociation of HCl and HBr

    Energy Technology Data Exchange (ETDEWEB)

    Lablanquie, P., E-mail: pascal.lablanquie@upmc.fr [Sorbonne Universités, UPMC Univ Paris 06, LCPMR, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); CNRS, LCPMR (UMR 7614), 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); Iwayama, H. [UVSOR Facility, Institute for Molecular Science, Okazaki 444-8585 (Japan); Penent, F. [Sorbonne Universités, UPMC Univ Paris 06, LCPMR, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); CNRS, LCPMR (UMR 7614), 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); Soejima, K. [Department of Environmental Science, Niigata University, Niigata 950-2181 (Japan); Shigemasa, E. [UVSOR Facility, Institute for Molecular Science, Okazaki 444-8585 (Japan)

    2014-08-15

    Highlights: • Ultrafast dissociation of HCl is triggered by 2p{sub 3/2} → σ* excitation. • Ultrafast dissociation of HBr is triggered by 3d{sub 5/2} → σ* excitation. • Photoelectron spectroscopy reveals sharp vibrational molecular lines and broad atomic lines. • The profiles of the atomic lines are analyzed in detail. • We extract the lifetime of the inner shell hole in the neutral atomic fragment. - Abstract: Ultrafast dissociation of the HCl and HBr molecules excited respectively to the 2p{sub 3/2} → σ* and 3d{sub 5/2} → σ* resonances are studied with high resolution photoelectron spectroscopy. Sharp vibrational molecular lines and broad atomic lines are observed. The analysis of the profile of the atomic lines gives access to the lifetimes of the inner shell 2p{sub 3/2} hole in the Cl* (2p{sub 3/2}){sup −1} 3s{sup 2}3p{sup 6} configuration, and the inner shell 3d{sub 5/2} hole in the Br* (3d{sub 5/2}){sup −1} 4s{sup 2}4p{sup 6} configuration.

  1. Modeling of dissociation and energy transfer in shock-heated nitrogen flows

    Energy Technology Data Exchange (ETDEWEB)

    Munafò, A., E-mail: munafo@illinois.edu [Department of Aerospace Engineering, University of Illinois at Urbana-Champaign, Talbot Laboratory, 104 S. Wright St., Urbana, Illinois 61801 (United States); NASA Ames Research Center, Moffett Field, California 94035 (United States); Liu, Y., E-mail: yen.liu@nasa.gov [NASA Ames Research Center, Moffett Field, California 94035 (United States); Panesi, M., E-mail: mpanesi@illinois.edu [Department of Aerospace Engineering, University of Illinois at Urbana-Champaign, Talbot Laboratory, 104 S. Wright St., Urbana, Illinois 61801 (United States)

    2015-12-15

    This work addresses the modeling of dissociation and energy transfer processes in shock heated nitrogen flows by means of the maximum entropy linear model and a newly proposed hybrid bin vibrational collisional model. Both models aim at overcoming two of the main limitations of the state of the art non-equilibrium models: (i) the assumption of equilibrium between rotational and translational energy modes of the molecules and (ii) the reliance on the quasi-steady-state distribution for the description of the population of the internal levels. The formulation of the coarse-grained models is based on grouping the energy levels into bins, where the population is assumed to follow a Maxwell-Boltzmann distribution at its own temperature. Different grouping strategies are investigated. Following the maximum entropy principle, the governing equations are obtained by taking the zeroth and first-order moments of the rovibrational master equations. The accuracy of the proposed models is tested against the rovibrational master equation solution for both flow quantities and population distributions. Calculations performed for free-stream velocities ranging from 5 km/s to 10 km/s demonstrate that dissociation can be accurately predicted by using only 2-3 bins. It is also shown that a multi-temperature approach leads to an under-prediction of dissociation, due to the inability of the former to account for the faster excitation of high-lying vibrational states.

  2. Experimental and modelling study of the multichannel thermal dissociations of CH3F and CH2F.

    Science.gov (United States)

    Cobos, C J; Knight, G; Sölter, L; Tellbach, E; Troe, J

    2018-01-10

    The thermal unimolecular dissociation of CH3F was studied in shock waves by monitoring the UV absorption of a dissociation product identified as CH2F. It is concluded that, under conditions applied, the formation of this species corresponds to a minor, spin-allowed, dissociation channel of about 3% yield. Near to the low-pressure limit of the reaction, on the other hand, the energetically more favourable dissociation leads to 3CH2 + HF on a dominant, spin-forbidden, pathway. By considering the multichannel character of the reaction, it is shown that, in contrast to the low-pressure range, the high-pressure range of the reaction should be dominated by CH2F formation. The channel-switching probably takes place at pressures higher than those applied in the present work. In addition to the two dissociation channels of CH3F producing 3CH2 + HF and CH2F + H, a third, spin-allowed, dissociation channel leading to 1CHF + H2 was also considered and estimated to proceed with a yield smaller than 0.5%. Besides the dissociation of CH3F, the dissociation of CH2F was studied by monitoring the UV spectrum of CH2F. Details of this spectrum were investigated. Similar to CH3F, the dissociation of CH2F can proceed on several dissociation channels, under the present conditions either to CHF + H or to CF + H2. After modelling single-channel falloff curves for all reaction pathways, coupling effects of multichannel dissociations were interpreted in the framework of multichannel unimolecular rate theory.

  3. Psychotherapy and Pharmacotherapy for Patients with Dissociative Identity Disorder

    OpenAIRE

    Gentile, Julie P.; Dillon, Kristy S.; Gillig, Paulette Marie

    2013-01-01

    There is a wide variety of what have been called “dissociative disorders,” including dissociative amnesia, dissociative fugue, depersonalization disorder, dissociative identity disorder, and forms of dissociative disorder not otherwise specified. Some of these diagnoses, particularly dissociative identity disorder, are controversial and have been questioned by many clinicians over the years. The disorders may be under-diagnosed or misdiagnosed, but many persons who have experienced trauma rep...

  4. Adsorption of CN at the Pt(111)/Liquid Interface by Dissociation of Acetonitrile and the Potentiality of CO Contamination: A Sum-Frequency Generation Study

    NARCIS (Netherlands)

    Dederichs, F.; Petoukhova, Anna; Daum, W.

    2001-01-01

    The adsorption of cyanide, CN, on the Pt(111) surface by dissociation of acetonitrile, CH3CN, has been investigated by sum-frequency generation (SFG) as surface vibrational spectroscopy and by cyclic voltammetry. The adsorption procedure involved cooling of the flame-annealed Pt crystal above a

  5. Vibration Analysis and the Accelerometer

    Science.gov (United States)

    Hammer, Paul

    2011-01-01

    Have you ever put your hand on an electric motor or motor-driven electric appliance and felt it vibrate? Ever wonder why it vibrates? What is there about the operation of the motor, or the object to which it is attached, that causes the vibrations? Is there anything "regular" about the vibrations, or are they the result of random causes? In this…

  6. Excited-State N2 Dissociation Pathway on Fe-Functionalized Au.

    Science.gov (United States)

    Martirez, John Mark P; Carter, Emily A

    2017-03-29

    Localized surface plasmon resonances (LSPRs) offer the possibility of light-activated chemical catalysis on surfaces of strongly plasmonic metal nanoparticles. This technology relies on lower-barrier bond formation and/or dissociation routes made available through energy transfer following the eventual decay of LSPRs. The coupling between these decay processes and a chemical trajectory (nuclear motion, charge-transfer, intersystem crossing, etc.) dictates the availability of these alternative (possibly lower barrier) excited-state channels. The Haber-Bosch method of NH3 synthesis from N2 and H2 is notoriously energy intensive. This is due to the difficulty of N2 dissociation despite the overall reaction being thermodynamically favorable at ambient temperatures and pressures. LSPRs may provide means to improve the kinetics of N2 dissociation via induced resonance electronic excitation. In this work, we calculate, via embedded n-electron valence second-order perturbation theory within the density functional embedding theory, the excited-state potential energy surfaces for dissociation of N2 on an Fe-doped Au(111) surface. This metal alloy may take advantage simultaneously of the strong LSPR of Au and the catalytic activity of Fe toward N2 dissociation. We find the ground-state dissociation activation energy to be 4.74 eV/N2, with Fe as the active site on the surface. Consecutive resonance energy transfers (RETs) may be accessed due to the availability of many electronically excited states with intermediate energies arising from the metal surface that may couple to states induced by the Fe-dopant and the adsorbate molecule, and crossing between excited states may effectively lower the dissociation barrier to 1.33 eV. Our work illustrates that large energetic barriers, prohibitive toward chemical reaction, may be overcome through multiple RETs facilitating an otherwise difficult chemical process.

  7. Dissociative Part-Dependent Resting-State Activity in Dissociative Identity Disorder : A Controlled fMRI Perfusion Study

    NARCIS (Netherlands)

    Schlumpf, Yolanda R.; Reinders, Antje A. T. S.; Nijenhuis, Ellert R. S.; Luechinger, Roger; van Osch, Matthias J. P.; Jaencke, Lutz

    2014-01-01

    Background: In accordance with the Theory of Structural Dissociation of the Personality (TSDP), studies of dissociative identity disorder (DID) have documented that two prototypical dissociative subsystems of the personality, the "Emotional Part'' (EP) and the "Apparently Normal Part'' (ANP), have

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

    Science.gov (United States)

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

    1990-01-01

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

  9. Vibrations and Stability

    DEFF Research Database (Denmark)

    Thomsen, Jon Juel

    About this textbook An ideal text for students that ties together classical and modern topics of advanced vibration analysis in an interesting and lucid manner. It provides students with a background in elementary vibrations with the tools necessary for understanding and analyzing more complex...... dynamical phenomena that can be encountered in engineering and scientific practice. It progresses steadily from linear vibration theory over various levels of nonlinearity to bifurcation analysis, global dynamics and chaotic vibrations. It trains the student to analyze simple models, recognize nonlinear...... phenomena and work with advanced tools such as perturbation analysis and bifurcation analysis. Explaining theory in terms of relevant examples from real systems, this book is user-friendly and meets the increasing interest in non-linear dynamics in mechanical/structural engineering and applied mathematics...

  10. Ultrafast Dynamics of Vibration-Cavity Polariton Modes

    Science.gov (United States)

    Owrutsky, Jeff; Dunkelberger, Adam; Fears, Kenan; Simpkins, Blake; Spann, Bryan

    Vibrational modes of polymers, liquids, and solvated compounds can couple to Fabry-Perot optical cavity modes, creating vibration-cavity polariton modes whose energy tunes with the cavity length and incidence angle. Here we report the pump-probe infrared spectroscopy of vibration-cavity polaritons in cavity-coupled W(CO)6. At very early times, we observe quantum beating between the two polariton states find an anomalously low degree of excitation. After the quantum beating, we directly observe spectroscopic signatures of excited-state absorption from both polariton modes and uncoupled reservoir modes. An analytical expression for cavity transmission reproduces these signatures. The upper polariton mode relaxes ten times more quickly than the uncoupled vibrational mode and the polariton lifetime depends on the angle of incidence of the infrared pulses. Coupling to an optical cavity gives a means of control of the lifetime of vibration-cavity polaritons and could have important implications for chemical reactivity in vibrationally excited molecules.

  11. From state dissociation to status dissociatus.

    Science.gov (United States)

    Antelmi, Elena; Ferri, Raffaele; Iranzo, Alex; Arnulf, Isabelle; Dauvilliers, Yves; Bhatia, Kailash P; Liguori, Rocco; Schenck, Carlos H; Plazzi, Giuseppe

    2016-08-01

    The states of being are conventionally defined by the simultaneous occurrence of behavioral, neurophysiological and autonomic descriptors. State dissociation disorders are due to the intrusion of features typical of a different state into an ongoing state. Disorders related to these conditions are classified according to the ongoing main state and comprise: 1) Dissociation from prevailing wakefulness as seen in hypnagogic or hypnopompic hallucinations, automatic behaviors, sleep drunkenness, cataplexy and sleep paralysis 2) Dissociation from rapid eye movement (REM) sleep as seen in REM sleep behavior disorder and lucid dreaming and 3) Dissociation from NREM sleep as seen in the disorders of arousal. The extreme expression of states dissociation is characterized by the asynchronous occurrence of the various components of the different states that prevents the recognition of any state of being. This condition has been named status dissociatus. According to the underlying disorders/diseases and to their severity, among status dissociatus we may recognize disorders in which such an extreme dissociation occurs only at night time or intermittently (i.e., autoimmune encephalopathies, narcolepsy type 1 and IgLON5 parasomnia), and others in which it occurs nearly continuously with complete loss of any conventionally defined state of being, and of the circadian pattern (agrypnia excitata). Here, we render a comprehensive review of all diseases/disorders associated with state dissociation and status dissociatus and propose a critical classification of this complex scenario. Copyright © 2015 Elsevier Ltd. All rights reserved.

  12. Dissociation in schizophrenia and borderline personality disorder

    Directory of Open Access Journals (Sweden)

    Pec O

    2014-03-01

    Full Text Available Ondrej Pec,1,2 Petr Bob,1,3 Jiri Raboch1 1Center for Neuropsychiatric Research of Traumatic Stress, Department of Psychiatry, First Faculty of Medicine, Charles University, Prague, 2Psychotherapeutic and Psychosomatic Clinic ESET, Prague, 3Central European Institute of Technology, Faculty of Medicine, Masaryk University, Brno, Czech Republic Background: Dissociation likely plays a key role in schizophrenia and borderline personality disorder (BPD, although empirical studies that compare specific manifestations of these symptoms in schizophrenia and BPD are rare. In this context, the purpose of this study was to compare the occurrence of dissociative and other psychopathological symptoms in these disorders, and to assess the possible influence of antipsychotic medication on the dissociative symptoms. Methods: We assessed 31 patients with schizophrenia and 36 patients with BPD. Dissociative symptoms were measured by the Dissociative Experiences Scale (DES, symptoms related to stress and traumatic experiences were assessed using the Trauma Symptom Checklist-40 (TSC-40, and other psychopathological symptoms were measured with the Health of the Nation Outcome Scales (HoNOS. We also assessed actual daily doses of antipsychotic medication in chlorpromazine equivalents in all participants. Results: The results show that symptoms of traumatic stress measured by the TSC-40 had significantly higher scores in the BPD group. The data also show that dissociative symptoms (DES were significantly correlated with symptoms of traumatic stress (TSC-40 and with symptoms assessed by the HoNOS. Remarkably significant correlations were found between levels of antipsychotic medication and the DES and between antipsychotic medication and the depersonalization/derealization component of the DES in BPD patients. Conclusion: The results support an important role of dissociative processes in schizophrenia and BPD and suggest a significant relationship between manifestations

  13. Entropy for Mechanically Vibrating Systems

    Science.gov (United States)

    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

  14. Dissociative identity disorder: a controversial diagnosis.

    Science.gov (United States)

    Gillig, Paulette Marie

    2009-03-01

    A brief description of the controversies surrounding the diagnosis of dissociative identity disorder is presented, followed by a discussion of the proposed similarities and differences between dissociative identity disorder and borderline personality disorder. The phenomenon of autohypnosis in the context of early childhood sexual trauma and disordered attachment is discussed, as is the meaning of alters or alternate personalities. The author describes recent neurosciences research that may relate the symptoms of dissociative identity disorder to demonstrable disordered attention and memory processes. A clinical description of a typical patient presentation is included, plus some recommendations for approaches to treatment.

  15. Dissociation of Natural and Artificial Methane Hydrate

    Directory of Open Access Journals (Sweden)

    Misyura S. Y.

    2016-01-01

    Full Text Available Present work deals with natural and artificial methane hydrate dissociation. The heating of the powder produced due to the temperature difference between the external air and the powder. The dissociation rate was determined by gravimetric method. The range of the partial self-preservation for the natural hydrate is significantly longer than for the artificial one and moved to higher temperatures. The destruction of the natural sample is slower than the artificial one. The time-averaged dissociation rate for the artificial sample is equal to 1,25 %/s and for the natural hydrate corresponds to 0,59 %/s.

  16. Vibrational dynamics of aniline(Ar)1 and aniline(CH4)1 clusters

    Science.gov (United States)

    Nimlos, M. R.; Young, M. A.; Bernstein, E. R.; Kelley, D. F.

    1989-11-01

    The first excited electronic state (S1) vibrational dynamics of aniline(Ar)1 and aniline(CH4)1 van der Waals (vdW) clusters have been studied using molecular jet and time resolved emission spectroscopic techniques. The rates of intramolecular vibrational energy redistribution (IVR) and vibrational predissociation (VP) as functions of vibrational energy are reported for both clusters. For vibrational energy in excess of the cluster binding energy, both clusters are observed to dissociate. The dispersed emission spectra of these clusters demonstrate that aniline(Ar)1 dissociates to all energetically accessible bare molecule states and that aniline(CH4)1 dissociates selectively to only the bare molecule vibrationless state. The emission kinetics show that in the aniline(Ar)1 case, the initially excited states have nanosecond lifetimes, and intermediate cluster states have very short lifetimes. In contrast, the initially excited aniline(CH4)1 states and other intermediate vibrationally excited cluster states are very short lived (golden rule, and the density of vdW vibrational states is the most important factor in determining the relative [aniline(Ar)1 vs aniline(CH4)1] rates of IVR; (2) IVR among the vdW modes is rapid; and (3) VP rates can be calculated by a restricted vdW mode phase space Rice-Ramsberger-Kassel-Marcus theory. Since the density of vdW states is three orders of magnitude greater for aniline(CH4)1 than aniline(Ar)1 at 700 cm-1, the model predicts that IVR is slow and rate limiting in aniline(Ar)1, whereas VP is slow and rate limiting in aniline(CH4)1. The agreement of these predictions with the experimental results is very good and is discussed in detail.

  17. Attosecond control of dissociative ionization of O{sub 2} molecules

    Energy Technology Data Exchange (ETDEWEB)

    Siu, W.; Kelkensberg, F.; Gademann, G. [FOM Institute AMOLF, Science Park 104, NL-1098 XG Amsterdam (Netherlands); Rouzee, A.; Vrakking, M. J. J. [FOM Institute AMOLF, Science Park 104, NL-1098 XG Amsterdam (Netherlands); Max-Born-Institut, Max-Born Strasse 2A, D-12489 Berlin (Germany); Johnsson, P. [FOM Institute AMOLF, Science Park 104, NL-1098 XG Amsterdam (Netherlands); Department of Physics, Lund University, Post Office Box 118, SE-221 00 Lund (Sweden); Dowek, D. [Laboratoire des Collisions Atomiques et Moleculaires (UMR Universite Paris-Sud et CNRS, 8625), Batiment 351, Universite Paris-Sud, F-91405 Orsay Cedex (France); Lucchini, M.; Calegari, F. [Department of Physics, Politecnico di Milano, Istituto di Fotonica e Nanotecnologie CNR-IFN, Piazza Leonardo da Vinci 32, 20133 Milano (Italy); De Giovannini, U.; Rubio, A. [Nano-bio Spectroscopy Group, ETSF Scientific Development Centre, Universidad del Pais Vasco, Avenida Tolosa 72, E-20018 San Sebastian (Spain); Lucchese, R. R. [Department of Chemistry, Texas A and M University, Post Office Box 30012, College Station, Texas 77842-3012 (United States); Kono, H. [Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578 (Japan); Lepine, F. [Universite Lyon 1/CNRS/LASIM, UMR 5579, 43 Boulevard Du 11 Novembre 1918, F-69622 Villeurbane (France)

    2011-12-15

    We demonstrate that dissociative ionization of O{sub 2} can be controlled by the relative delay between an attosecond pulse train (APT) and a copropagating infrared (IR) field. Our experiments reveal a dependence of both the branching ratios between a range of electronic states and the fragment angular distributions on the extreme ultraviolet (XUV) to IR time delay. The observations go beyond adiabatic propagation of dissociative wave packets on IR-induced quasistatic potential energy curves and are understood in terms of an IR-induced coupling between electronic states in the molecular ion.

  18. Holographic model for charmonium dissociation

    Science.gov (United States)

    Braga, Nelson R. F.; Ferreira, Luiz F.; Vega, Alfredo

    2017-11-01

    We present a holographic bottom up model for the thermal behavior of c c bar vector mesons in a finite temperature and density plasma. There is a clear physical interpretation for the three input energy parameters of the model. Two of them are related to the mass spectrum of the heavy meson. Namely the quark mass and the string tension of the quark-anti-quark interaction. The third parameter is a large energy scale associated with the non-hadronic meson decay. In such a process the heavy meson is transformed into a much lighter state by electroweak processes. The corresponding transition amplitude is assumed to depend on the energy scale associated with this large mass variation. With this three parameter model one can fit the masses and decay constants of J / Ψ and three radial excitations with an rms error of 20.7%. Using the geometry of a charged black hole, one finds the spectral function for charmonium states inside a plasma at finite temperature and density. The charmonium dissociation in the medium is represented by the decrease in the height of the spectral function peaks.

  19. UV and 532 nm Photo-Dissociation of 2-Nitrotoluene: Observation of Electronically-Excited NO; Emission from Carbon (I); N2-NO Energy Transfer; and Stabilization of 2-Nitrotoluene-Ar Clusters

    Science.gov (United States)

    Diez-y-Riega, H.; Eilers, H.

    2012-07-01

    2-nitrotoluene is a taggant used in explosive compounds and also often used as a simulant for nitro-based high explosives. Various spectroscopic techniques focus on the detection of vibrationally excited NO as an indicator for the presence of explosives. We report on the photo-dissociation of 2-nitrotoluene using UV and 532 nm wavelengths. We not only observe vibrationally excited NO in its electronic ground state, but also vibrationally excited NO in its electronic excited state. The photo-dissociation of 2-nitrotoluene leads to the formation of atomic carbon and its emission, overlapping the NO emission, is observed. Energy transfer from laser-excited nitrogen to NO leads to NO emission with long lifetimes. Argon atoms stabilize 2-nitrotoluene molecules and delay their photo-dissociation.

  20. Thermal dissociation of molten KHSO4: Temperature dependence of Raman spectra and thermodynamics

    DEFF Research Database (Denmark)

    Knudsen, Christian B.; Kalampounias, Angelos G.; Fehrmann, Rasmus

    2008-01-01

    intensities with the stoichiometric coefficients, the equilibrium constant, and the thermodynamics of the reaction equilibrium is derived. The method is used-along with the temperature-dependent features of the Raman spectra-to show that the studied equilibrium 2HSO(4)(-) (1) S2O72-(1) + H2O(g) is the only......Raman spectroscopy is used to study the thermal dissociation of molten KHSO4 at temperatures of 240-450 degrees C under static equilibrium conditions. Raman spectra obtained at 10 different temperatures for the molten phase and for the vapors thereof exhibit vibrational wavenumbers and relative...... band intensities inferring the occurrence of the temperature-dependent dissociation equilibrium 2HSO(4)(-) (1) S2O72-(1) + H2O(g). The Raman data are adequate for determining the partial pressures of H2O in the gas phase above the molten mixtures. A formalism for correlating relative Raman band...

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

    Energy Technology Data Exchange (ETDEWEB)

    Thompson, Michael C.; Weber, J. Mathias, E-mail: weberjm@jila.colorado.edu [JILA, University of Colorado at Boulder, 440 UCB, Boulder, Colorado 80309-0440 (United States); Department of Chemistry and Biochemistry, University of Colorado at Boulder, 215UCB, Boulder, Colorado 80309-0215 (United States); Baraban, Joshua H. [Department of Chemistry and Biochemistry, University of Colorado at Boulder, 215UCB, Boulder, Colorado 80309-0215 (United States); Matthews, Devin A. [Institute for Computational Engineering and Science, University of Texas at Austin, 201 E. 24th St., Austin, Texas 78712 (United States); Stanton, John F. [Department of Chemistry and Biochemistry, University of Texas at Austin, 1 University Station A5300, Austin, Texas 78712-0165 (United States)

    2015-06-21

    We report infrared spectra of nitromethane anion, CH{sub 3}NO{sub 2}{sup −}, in the region 700–2150 cm{sup −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.

  2. Acoustical coupling of lizard eardrums

    DEFF Research Database (Denmark)

    Christensen-Dalsgaard, Jakob; Manley, Geoffrey A

    2008-01-01

    Lizard ears are clear examples of two-input pressure-difference receivers, with up to 40-dB differences in eardrum vibration amplitude in response to ipsi- and contralateral stimulus directions. The directionality is created by acoustical coupling of the eardrums and interaction of the direct and...

  3. Research Reports: Hallucinogens and Dissociative Drugs

    Science.gov (United States)

    ... radically altered environments as well as body and spatial distortions Ayahuasca • Increased blood pressure • Severe vomiting (induced ... can produce visual and auditory distortions and a sense of floating and dissociation (feeling detached from reality) ...

  4. Charmonium suppression by thermal dissociation and percolation

    CERN Document Server

    Nardi, M

    2005-01-01

    I discuss the charmonium suppression in deconfined medium by thermal dissociation and parton percolation. I point out the differences and show predictions for J/psi suppression at different energy and/or for different interacting nuclei.

  5. Energies of dissociated dislocations in ice

    OpenAIRE

    福田, 明治

    1988-01-01

    Elastic energies of dissociated dislocations on the basal plane were calculated using anisotropic elasticity. Energies of stacking faults and dislocation cores were supposed to get total energies of the dislocations. It is proposed that a dislocation with [0001] Burgers vectors dissociated two partial dislocations with 1/2 [0001] Burgers vector not with 1/6 Burgers vector, and that a combination of dislocations with [0001] Burgers vector and with 1/3 Burgers vector is stable.

  6. Electronic and Vibrational Coherences in Algal Light-Harvesting Proteins

    Directory of Open Access Journals (Sweden)

    Scholes Gregory D.

    2013-03-01

    Full Text Available We present broadband two-dimensional electronic spectra of a lightharvesting protein from photosynthetic algae. Analysis of the spectra show that the amplitude of the main cross peak oscillates as a function of the waiting time period. Both electronic coupling and intramolecular vibrational modes, and their mixture, can lead to such oscillations. Using predictions based on models of four-level systems, we describe ways to distinguish electronic from vibrational contributions to the coherence and find that both types of coupling contribute to the measured dynamics.

  7. Dissociation in eating disorders: relationship between dissociative experiences and binge-eating episodes.

    Science.gov (United States)

    La Mela, Carmelo; Maglietta, Marzio; Castellini, Giovanni; Amoroso, Luca; Lucarelli, Stefano

    2010-01-01

    Several findings support the hypothesis that there is a relationship between dissociation and eating disorders (EDs). The aims of this study were as follows: (1) to assess whether ED patients show a higher level of dissociation than healthy control (HC) individuals or psychiatric control patients with anxiety and mood disorders and (2) to investigate the effects of dissociation on ED symptoms, specifically binge eating behavior. Fifty-four ED patients, 56 anxiety and mood disorders control patients, and 39 HC individuals completed the Eating Disorder Examination Questionnaire and the Dissociation Questionnaire. Each participant was asked about the number of binge eating episodes he or she had experienced in the past 4 weeks. The ED patients had higher levels of dissociation than both the psychiatric control group and the HC group. In the ED group, the number of binge episodes was related to the level of dissociation. Dissociative experiences are relevant in EDs, and binge eating is related to dissociation. In patients affected by the core psychopathologic beliefs of EDs (overevaluation of shape and weight), dissociation may allow an individual to initiate binging behavior, thus decreasing self-awareness and negative emotional states, without having to deal with the long-term consequences of their actions. Copyright 2010 Elsevier Inc. All rights reserved.

  8. [Screening for major dissociative disorders with the FDS, the German version of the Dissociative Experience Scale].

    Science.gov (United States)

    Rodewald, Frauke; Gast, Ursula; Emrich, Hinderk M

    2006-06-01

    The prevalence of major dissociative disorders (dissociative identity disorder, DID and similar forms of dissociative disorder not otherwise specified, DDNOS) in clinical samples is about 5 %. Despite their frequency, major dissociative disorders are often overseen for a long time. Screening-scales have proved to be effective to support clinical diagnosis. The aim of this study was to test, whether the Fragebogen für dissoziative Symptome (FDS), the German version of the Dissociative Experiences Scale (DES), differentiates between patients with dissociative disorders, non-dissociative disorders and non-clinical controls. Additionally, an optimal FDS-cutoff for a more detailed differential-diagnostic evaluation of the dissociative symptomatology should be identified. 150 participants with DID (group DID: n = 44), DDNOS (DDNOS: n = 22), posttraumatic disorders (TRAUMA: n = 20), other non-dissociative disorders (non-TRAUMA: n = 34) and non-clinical controls (KG: n = 30) completed the FDS. In the five diagnostic groups, mean values were calculated and compared for the FDS, DES and FDS-20. Via receiver-operating-curves the cutoff-scores, which differentiated best between participants with and without major dissociative disorders, were identified. FDS, DES and FDS-20 differentiate significantly between patients with and without major dissociative disorders. For all scales, there were significant differences between the diagnostic groups, with mean-scores decreasing continuously from the groups DID to DDNOS and TRAUMA. Between the groups non-TRAUMA and KG tendencies were found in the predicted direction. The optimal cutoff-scores to differentiate between participants with and without major dissociative disorders were 13 (FDS/FDS-20) and 15 (DES). Using these cutoff-scores, at least 90 % of the patients with major dissociative disorders could be identified correctly (sensitivity). The specifity of the scales was 0.89 to 0.90. Screening for major dissociative disorders

  9. Dissociative identity disorder: an Australian series.

    Science.gov (United States)

    Middleton, W; Butler, J

    1998-12-01

    Series of patients fulfilling diagnostic criteria for Dissociative Identity Disorder (DID), otherwise known as multiple personality disorder, have particularly been reported on in North America and increasingly in other countries. The present study investigated the trauma and past treatment histories, symptom profiles and dissociative phenomenology of 62 patients fulfilling diagnostic criteria for DID seen in Brisbane (Queensland, Australia). From 1992, systematic assessments, including the Dissociative Experience Scale and the Dissociative Disorders Interview Schedule, were performed with a personal series of 57 patients with DID seen by one of the authors (WM) and five patients seen by the second author (JB). The histories of childhood trauma, the clinical profiles and dissociative indices of these patients closely approximate those described in series reported in other countries. Patients fulfilling diagnostic criteria for DID are regularly seen in Australian inpatient and outpatient settings. The dissociative symptomatology of the patients examined in the present study represents a significant component of a complex syndrome associated with a history of severe ongoing developmental trauma dating from early childhood.

  10. Dissociative scattering of low-energy SiF{sub 3}{sup +} and SiF{sup +} ions (5-200 eV) on Cu(100) surface

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, Hiroyuki; Baba, Yuji; Sasaki, T.A. [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1997-03-01

    Dissociative scattering of molecular SiF{sub 3}{sup +} and SiF{sup +} ions from a Cu(100) single crystal surface has been investigated in the incident energy range from 5 eV to 200 eV with a scattering angle of 77deg. The scattered ion intensity of dissociative ions and parent molecular ions were measured as a function of incident ion energy. The observed data show that onset energies of dissociation for SiF{sub 3}{sup +} and SiF{sup +} ions are 30 eV and 40 eV, respectively. The obtained threshold energies are consistent with a impulsive collision model where the dissociation of incident ion is caused by vibrational excitation during collision. (author)

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

    Science.gov (United States)

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

    2015-01-01

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

  12. Dissociative Spectrum Disorders in the Primary Care Setting

    OpenAIRE

    Elmore, James L.

    2000-01-01

    Dissociative disorders have a lifetime prevalence of about 10%. Dissociative symptoms may occur in acute stress disorder, posttraumatic stress disorder, somatization disorder, substance abuse, trance and possession trance, Ganser's syndrome, and dissociative identity disorder, as well as in mood disorders, psychoses, and personality disorders. Dissociative symptoms and disorders are observed frequently among patients attending our rural South Carolina community mental health center. Given the...

  13. Extension of CE/SE method to non-equilibrium dissociating flows

    KAUST Repository

    Wen, C.Y.

    2017-12-08

    In this study, the hypersonic non-equilibrium flows over rounded nose geometries are numerically investigated by a robust conservation element and solution element (CE/SE) code, which is based on hybrid meshes consisting of triangular and quadrilateral elements. The dissociating and recombination chemical reactions as well as the vibrational energy relaxation are taken into account. The stiff source terms are solved by an implicit trapezoidal method of integration. Comparison with laboratory and numerical cases are provided to demonstrate the accuracy and reliability of the present CE/SE code in simulating hypersonic non-equilibrium flows.

  14. Emitted vibration measurement device and method

    Science.gov (United States)

    Gisler, G. L.

    1986-10-01

    This invention is directed to a method and apparatus for measuring emitted vibrational forces produced by a reaction wheel assembly due to imbalances, misalignment, bearing defects and the like. The apparatus includes a low mass carriage supported on a large mass base. The carriage is in the form of an octagonal frame having an opening which is adapted for receiving the reaction wheel assembly supported thereon by means of a mounting ring. The carriage is supported on the base by means of air bearings which support the carriage in a generally frictionless manner when supplied with compressed air from a source. A plurality of carriage brackets and a plurality of base blocks provided for physical coupling of the base and carriage. The sensing axes of the load cells are arranged generally parallel to the base and connected between the base and carriage such that all of the vibrational forces emitted by the reaction wheel assembly are effectively transmitted through the sensing axes of the load cells. In this manner, a highly reliable and accurate measurment of the vibrational forces of the reaction wheel assembly can be had. The output signals from the load cells are subjected to a dynamical analyzer which analyzes and identifies the rotor and spin bearing components which are causing the vibrational forces.

  15. Smart paint sensor for monitoring structural vibrations

    Science.gov (United States)

    Al-Saffar, Y.; Aldraihem, O.; Baz, A.

    2012-04-01

    A class of smart paint sensors is proposed for monitoring the structural vibration of beams. The sensor is manufactured from an epoxy resin which is mixed with carbon black nano-particles to make it electrically conducting and sensitive to mechanical vibrations. A comprehensive theoretical and experimental investigation is presented to understand the underlying phenomena governing the operation of this class of paint sensors and evaluate its performance characteristics. A theoretical model is presented to model the electromechanical behavior of the sensor system using molecular theory. The model is integrated with an amplifier circuit in order to predict the current and voltage developed by the paint sensor when subjected to loading. Furthermore, the sensor/amplifier circuit models are coupled with a finite element model of a base beam to which the sensor is bonded. The resulting multi-field model is utilized to predict the behavior of both the sensor and the beam when subjected to a wide variety of vibration excitations. The predictions of the multi-field finite element model are validated experimentally and the behavior of the sensor is evaluated both in the time and the frequency domains. The performance of the sensor is compared with the performance of conventional strain gages to emphasize its potential and merits. The presented techniques are currently being extended to sensors that can monitor the vibration and structural power flow of two-dimensional structures.

  16. Collisions induced dissociation and Ab initio study of azobenzene derivatives bond structure and electronic configuration

    Science.gov (United States)

    Rezaee, Mohammadreza; Compton, Robert

    2015-05-01

    Collision induced dissociation (CID) and ab initio calculations were utilized to study a few derivatives of azobenzene molecule and their product ions. High level computational methods along with large basis set size yield values in close agreement with the experimental results. Möller-Plesset and coupled-cluster theory including perturbative triple excitations, CCSD(T), method were performed to obtain a high accuracy estimation of the bond dissociation energy value. The electron affinities have been studied experimentally using the photoelectron spectroscopy method as well as theoretically using ab inito calculations. For the trans-2,2',6,6' tetra-fluoro azobenzene the bond dissociation has been experimentally determined to be 1.88 eV and the vertical detachment energy is 1.78 eV.

  17. Discriminating among diagnostic categories using the Dissociative Disorders Interview Schedule.

    Science.gov (United States)

    Ross, Colin A; Ellason, Joan Weathersbee

    2005-04-01

    The Dissociative Disorders Interview Schedule was administered to 1,308 subjects in eight diagnostic categories, including 296 with dissociative identity disorder. The study tested three hypotheses: (1) the Mahalanobis distance between dissociative identity disorder and each of seven other diagnostic categories would be large, (2) the closest diagnostic category to dissociative identity disorder would be dissociative disorder not otherwise specified, and (3) nondissociative diagnostic categories would be closer to each other than any one to dissociative identity disorder. All three hypotheses were confirmed by these data. The findings support the conclusion that dissociative identity disorder is a discrete category or taxon.

  18. Vibrational investigations of CO2-H2O, CO2-(H2O)2, and (CO2)2-H2O complexes isolated in solid neon.

    Science.gov (United States)

    Soulard, P; Tremblay, B

    2015-12-14

    The van der Waals complex of H2O with CO2 has attracted considerable theoretical interest as a typical example of a weak binding complex with a dissociation energy less than 3 kcal/mol. Up to now, experimental vibrational data are sparse. We have studied by FTIR the complexes involving CO2 and water molecules in solid neon. Many new absorption bands close to the well known monomers fundamentals give evidence for at least three (CO2)n-(H2O)m complexes, noted n:m. Concentration effects combined with a detailed vibrational analysis allow for the identification of sixteen, twelve, and five transitions for the 1:1, 1:2, and 2:1 complexes, respectively. Careful examination of the far infrared spectral region allows the assignment of several 1:1 and 1:2 intermolecular modes, confirmed by the observation of combinations of intra + intermolecular transitions, and anharmonic coupling constants have been derived. Our results demonstrate the high sensibility of the solid neon isolation to investigate the hydrogen-bonded complexes in contrast with the gas phase experiments for which two quanta transitions cannot be easily observed.

  19. Approach to equilibrium of a quantum system and generalization of the Montroll-Shuler equation for vibrational relaxation of a molecular oscillator

    Science.gov (United States)

    Kenkre, V. M.; Chase, M.

    2017-08-01

    The approach to equilibrium of a quantum mechanical system in interaction with a bath is studied from a practical as well as a conceptual point of view. Explicit memory functions are derived for given models of bath couplings. If the system is a harmonic oscillator representing a molecule in interaction with a reservoir, the generalized master equation derived becomes an extension into the coherent domain of the well-known Montroll-Shuler equation for vibrational relaxation and unimolecular dissociation. A generalization of the Bethe-Teller result regarding energy relaxation is found for short times. The theory has obvious applications to relaxation dynamics at ultra-short times as in observations on the femtosecond time scale and to the investigation of quantum coherence at those short times. While vibrational relaxation in chemical physics is a primary target of the study, another system of interest in condensed matter physics, an electron or hole in a lattice subjected to a strong DC electric field that gives rise to well-known Wannier-Stark ladders, is naturally addressed with the theory. Specific system-bath interactions are explored to obtain explicit details of the dynamics. General phenomenological descriptions of the reservoir are considered rather than specific microscopic realizations.

  20. Improved calculation on the isotope effect in dissociative electron attachment to acetylene

    Science.gov (United States)

    Chourou, S. T.; Orel, A. E.

    2009-09-01

    We performed nuclear dynamics calculations on C2H2 and C2D2 to study the isotope effect in dissociative electron attachment (DEA). Our previous calculations at 0 K led to a ratio σ0→DEA(C2H-)/σ0→DEA(C2D-) of about 28.9 which is about a factor of 2 higher than recent experimental results. This discrepancy was attributed to the contribution of higher vibrational modes in the yield of the anion fragments. We included the four lowest bending vibrational states presenting nonvanishing populations at the experiment temperature of T=333K . The resulting ratio is found to be 17.9 which is in closer agreement with the measured value.

  1. Vibrational spectroscopy of resveratrol

    Science.gov (United States)

    Billes, Ferenc; Mohammed-Ziegler, Ildikó; Mikosch, Hans; Tyihák, Ernő

    2007-11-01

    In this article the authors deal with the experimental and theoretical interpretation of the vibrational spectra of trans-resveratrol (3,5,4'-trihydroxy- trans-stilbene) of diverse beneficial biological activity. Infrared and Raman spectra of the compound were recorded; density functional calculations were carried out resulting in the optimized geometry and several properties of the molecule. Based on the calculated force constants, a normal coordinate analysis yielded the character of the vibrational modes and the assignment of the measured spectral bands.

  2. Bumblebee vibration activated foraging

    OpenAIRE

    Su, Dan Kuan-Nien

    2009-01-01

    The ability use vibrational signals to activate nestmate foraging is found in the highly social bees, stingless bees and honey bees, and has been hypothesized to exist in the closely related, primitively eusocial bumble bees. We provide the first strong and direct evidence that this is correct. Inside the nest, bumble bee foragers produce brief bursts of vibration (foraging activation pulses) at 594.5 Hz for 63±26 ms (velocityRMS=0.46±0.02mm/s, forceRMS=0.8±0.2 mN. Production of these vibrati...

  3. Man-Induced Vibrations

    DEFF Research Database (Denmark)

    Jönsson, Jeppe; Hansen, Lars Pilegaard

    1994-01-01

    concerned with spectator-induced vertical vibrations on grandstands. The idea is to use impulse response analysis and base the load description on the load impulse. If the method is feasable, it could be used in connection with the formulation of requirements in building codes. During the last two decades...... work has been done on the measurement of the exact load functions and related reponse analysis. A recent work using a spectral description has been performed by Per-Erik Erikson and includes a good literature survey. Bachmann and Ammann give a good overview of vibrations caused by human activity. Other...

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

    Science.gov (United States)

    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

  5. Three-body dissociations: The photodissociation of dimethyl sulfoxide at 193 nm

    Energy Technology Data Exchange (ETDEWEB)

    Blank, D.A.; North, S.W.; Stranges, D. [Lawrence Berkeley National Lab., CA (United States)] [and others

    1997-04-01

    When a molecule with two equivalent chemical bonds is excited above the threshold for dissociation of both bonds, how the rupture of the two bonds is temporally coupled becomes a salient question. Following absorption at 193 nm dimethyl sulfoxide (CH{sub 3}SOCH{sub 3}) contains enough energy to rupture both C-S bonds. This can happen in a stepwise (reaction 1) or concerted (reaction 2) fashion where the authors use rotation of the SOCH{sub 3} intermediate prior to dissociation to define a stepwise dissociation: (1) CH{sub 3}SOCH{sub 3} {r_arrow} 2CH{sub 3} + SO; (2a) CH{sub 3}SOCH{sub 3} {r_arrow} CH{sub 3} + SOCH{sub 3}; and (2b) SOCH{sub 3} {r_arrow} SO + CH{sub 3}. Recently, the dissociation of dimethyl sulfoxide following absorption at 193 nm was suggested to involve simultaneous cleavage of both C-S bonds on an excited electronic surface. This conclusion was inferred from laser induced fluorescence (LIF) and resonant multiphoton ionization (2+1 REMPI) measurements of the internal energy content in the CH{sub 3} and SO photoproducts and a near unity quantum yield measured for SO. Since this type of concerted three body dissociation is very interesting and a rather rare event in photodissociation dynamics, the authors chose to investigate this system using the technique of photofragment translational spectroscopy at beamline 9.0.2.1. The soft photoionization provided by the VUV undulator radiation allowed the authors to probe the SOCH{sub 3} intermediate which had not been previously observed and provided good evidence that the dissociation of dimethyl sulfoxide primarily proceeds via a two step dissociation, reaction 2.

  6. Subfemtosecond steering of hydrocarbon deprotonation through superposition of vibrational modes

    Science.gov (United States)

    Alnaser, A. S.; Kübel, M.; Siemering, R.; Bergues, B.; Kling, Nora G.; Betsch, K. J.; Deng, Y.; Schmidt, J.; Alahmed, Z. A.; Azzeer, A. M.; Ullrich, J.; Ben-Itzhak, I.; Moshammer, R.; Kleineberg, U.; Krausz, F.; de Vivie-Riedle, R.; Kling, M. F.

    2014-05-01

    Subfemtosecond control of the breaking and making of chemical bonds in polyatomic molecules is poised to open new pathways for the laser-driven synthesis of chemical products. The break-up of the C-H bond in hydrocarbons is an ubiquitous process during laser-induced dissociation. While the yield of the deprotonation of hydrocarbons has been successfully manipulated in recent studies, full control of the reaction would also require a directional control (that is, which C-H bond is broken). Here, we demonstrate steering of deprotonation from symmetric acetylene molecules on subfemtosecond timescales before the break-up of the molecular dication. On the basis of quantum mechanical calculations, the experimental results are interpreted in terms of a novel subfemtosecond control mechanism involving non-resonant excitation and superposition of vibrational degrees of freedom. This mechanism permits control over the directionality of chemical reactions via vibrational excitation on timescales defined by the subcycle evolution of the laser waveform.

  7. "Vibrational bonding": a new type of chemical bond is discovered.

    Science.gov (United States)

    Rhodes, Christopher J; Macrae, Roderick M

    2015-01-01

    A long-sought but elusive new type of chemical bond, occurring on a minimum-free, purely repulsive potential energy surface, has recently been convincingly shown to be possible on the basis of high-level quantum-chemical calculations. This type of bond, termed a vibrational bond, forms because the total energy, including the dynamical energy of the nuclei, is lower than the total energy of the dissociated products, including their vibrational zero-point energy. For this to be the case, the ZPE of the product molecule must be very high, which is ensured by replacing a conventional hydrogen atom with its light isotope muonium (Mu, mass = 1/9 u) in the system Br-H-Br, a natural transition state in the reaction between Br and HBr. A paramagnetic species observed in the reaction Mu +Br2 has been proposed as a first experimental sighting of this species, but definitive identification remains challenging.

  8. Fatigue failure in metal bellows due to flow-induced vibrations

    Science.gov (United States)

    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.

  9. Dissociations between developmental dyslexias and attention deficits

    Science.gov (United States)

    Lukov, Limor; Friedmann, Naama; Shalev, Lilach; Khentov-Kraus, Lilach; Shalev, Nir; Lorber, Rakefet; Guggenheim, Revital

    2014-01-01

    We examine whether attention deficits underlie developmental dyslexia, or certain types of dyslexia, by presenting double dissociations between the two. We took into account the existence of distinct types of dyslexia and of attention deficits, and focused on dyslexias that may be thought to have an attentional basis: letter position dyslexia (LPD), in which letters migrate within words, attentional dyslexia (AD), in which letters migrate between words, neglect dyslexia, in which letters on one side of the word are omitted or substituted, and surface dyslexia, in which words are read via the sublexical route. We tested 110 children and adults with developmental dyslexia and/or attention deficits, using extensive batteries of reading and attention. For each participant, the existence of dyslexia and the dyslexia type were tested using reading tests that included stimuli sensitive to the various dyslexia types. Attention deficit and its type was established through attention tasks assessing sustained, selective, orienting, and executive attention functioning. Using this procedure, we identified 55 participants who showed a double dissociation between reading and attention: 28 had dyslexia with normal attention and 27 had attention deficits with normal reading. Importantly, each dyslexia with suspected attentional basis dissociated from attention: we found 21 individuals with LPD, 13 AD, 2 neglect dyslexia, and 12 surface dyslexia without attention deficits. Other dyslexia types (vowel dyslexia, phonological dyslexia, visual dyslexia) also dissociated from attention deficits. Examination of 55 additional individuals with both a specific dyslexia and a certain attention deficit found no attention function that was consistently linked with any dyslexia type. Specifically, LPD and AD dissociated from selective attention, neglect dyslexia dissociated from orienting, and surface dyslexia dissociated from sustained and executive attention. These results indicate that

  10. Dissociations between developmental dyslexias and attention deficits

    Directory of Open Access Journals (Sweden)

    Limor eLukov

    2015-01-01

    Full Text Available We examine whether attention deficits underlie developmental dyslexia, or certain types of dyslexia, by presenting double dissociations between the two. We took into account the existence of distinct types of dyslexia and of attention deficits, and focused on dyslexias that may be thought to have an attentional basis: letter position dyslexia (LPD, in which letters migrate within words, attentional dyslexia (AD, in which letters migrate between words, neglect dyslexia, in which letters on one side of the word are omitted or substituted, and surface dyslexia, in which words are read via the sublexical route.We tested 110 children and adults with developmental dyslexia and/or attention deficits, using extensive batteries of reading and attention.For each participant, the existence of dyslexia and the dyslexia type were tested using reading tests that included stimuli sensitive to the various dyslexia types. Attention deficit and its type was established through attention tasks assessing sustained, selective, orienting, and executive attention functioning. Using this procedure,we identified 55 participants who showed a double dissociation between reading and attention: 28 had dyslexia with normal attention and 27 had attention deficits with normal reading.Each dyslexia with suspected attentional basis dissociated from attention:21 individuals with LPD,13 AD,2 neglect dyslexia,and 12 surface dyslexia. Other dyslexia types(vowel dyslexia, phonological dyslexia, visual dyslexia also dissociated from attention deficits.Examination of 55 additional individuals with both a specific dyslexia and a certain attention deficit found no attention function that was consistently linked with any dyslexia type.Specifically, LPD and AD dissociated from selective attention, neglect dyslexia dissociated from orienting, and surface dyslexia dissociated from sustained and executive attention. These results indicate that visuospatial attention deficits do not underlie

  11. Study of photoionization and dissociative photoionization of carbon monoxide from ionization threshold to 38 eV by using synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Yujie, E-mail: jackzyj@ustc.edu.cn [National Synchrotron Radiation Laboratory, School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230029 (China); College of Physics and Electronic Engineering, Henan Normal University, Xinxiang 453007 (China); Cao, Maoqi; Li, Yuquan; Shan, Xiaobin; Liu, Fuyi [National Synchrotron Radiation Laboratory, School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230029 (China); Sheng, Liusi, E-mail: lssheng@ustc.edu.cn [National Synchrotron Radiation Laboratory, School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230029 (China); Li, Li; Liu, Wanfang [College of Physics and Electronic Engineering, Henan Normal University, Xinxiang 453007 (China)

    2014-10-15

    Highlights: • The high resolution photoionization spectrum of carbon monoxide has been investigated using tunable synchrotron radiation. • This work has investigated comprehensively almost all kinds of photo excitation processes of CO in wide photon region. • The mechanisms of photoionization and dissociative photoionization of CO have been researched in detail. - Abstract: The vacuum-ultraviolet photoionization and dissociative photoionization of carbon monoxide in a region 14–38 eV have been investigated with time-of-flight (TOF) photoionization mass spectrometry (PIMS) using tunable synchrotron radiation (SR). The adiabatic ionization energy (IE) of carbon monoxide and appearance energies (AE) for its fragment ions in different states are determined by measurements of photoionization efficiency spectra (PIES). Ab initio calculations have been performed to investigate the reaction mechanism of dissociative photoionization of carbon monoxide. On the basis of experimental and predicted theoretical results, the mechanisms of photoionization and dissociative photoionization of molecular CO are discussed, and sixteen dissociative photoionization processes are proposed. The equilibrium geometries and harmonic vibrational frequencies of CO molecule, and its parent cation were calculated by using MP2 (full) method. The differences of configurations between them are also discussed on the basis of theoretical calculations. According to our results, the experimental IE of CO molecule, and dissociation energies (E{sub d}) of possible dissociative channels are in reasonable agreement with the calculated values of the proposed photodissociation channels.

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

    Science.gov (United States)

    Cooley, Christopher G.

    2017-09-01

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

  13. Near-threshold vibrational excitation of acetylene by positron impact

    Science.gov (United States)

    de Oliveira, Eliane M.; Lima, Marco A. P.; Sanchez, Sergio D.'A.; Varella, Márcio T. Do N.

    2010-01-01

    We report vibrational excitation cross sections for C-C and C-H symmetric stretch modes of acetylene by positron impact. The contribution of these infrared inactive modes to the annihilation parameter is also addressed. The Feshbach projection operator approach was employed to vibrationally resolve e+-acetylene scattering phase shifts obtained with the Schwinger multichannel method. The present results point out a virtual state pole at the equilibrium geometry of acetylene that becomes a bound state as either bond is stretched, in qualitative agreement with previous calculations for small hydrocarbons. The vibrational couplings are stronger for the C-C mode, giving rise to a bound state pole within the Franck-Condon region of the vibrational ground state. These bound and virtual states give rise to sharp threshold structures (vibrational resonances) in both the vibrational excitation cross sections and the annihilation parameter (Zeff). We found fair agreement between the present calculations and previously reported e+-acetylene vibrational excitation cross sections.

  14. A Novel Wireless and Temperature-Compensated SAW Vibration Sensor

    Directory of Open Access Journals (Sweden)

    Wen Wang

    2014-11-01

    Full Text Available A novel wireless and passive surface acoustic wave (SAW based temperature-compensated vibration sensor utilizing a flexible Y-cut quartz cantilever beam with a relatively substantial proof mass and two one-port resonators is developed. One resonator acts as the sensing device adjacent to the clamped end for maximum strain sensitivity, and the other one is used as the reference located on clamped end for temperature compensation for vibration sensor through the differential approach. Vibration directed to the proof mass flex the cantilever, inducing relative changes in the acoustic propagation characteristics of the SAW travelling along the sensing device, and generated output signal varies in frequency as a function of vibration.  A theoretical mode using the Rayleigh method was established to determine the optimal dimensions of the cantilever beam. Coupling of Modes (COM model was used to extract the optimal design parameters of the SAW devices prior to fabrication. The performance of the developed SAW sensor attached to an antenna towards applied vibration was evaluated wirelessly by using the precise vibration table, programmable incubator chamber, and reader unit.  High vibration sensitivity of ~10.4 kHz/g, good temperature stability, and excellent linearity were observed in the wireless measurements.

  15. Kappa Delta Award. Low back pain and whole body vibration.

    Science.gov (United States)

    Pope, M H; Magnusson, M; Wilder, D G

    1998-09-01

    The investigators describe their multifaceted approach to the study of the relationship between whole body vibration and low back pain. The epidemiologic study was a two center study of drivers and sedentary workers in the United States and Sweden. The vibration exposure was measured in the vehicles. It was found that the career vibration exposure was related to low back, neck, and shoulder pain. However, disability was related to job satisfaction. In vivo experiments, using percutaneous pin mounted accelerometers have shown that the natural frequency is at 4.5 Hz. The frequency response is affected by posture, seating, and seat back inclination. The response appears to be determined largely by the rocking of the pelvis. Electromyographic studies have shown that muscle fatigue occurs under whole body vibration. After whole body vibration exposure the muscle response to a sudden load has greater latency. Vehicle driving may be a reason for low back pain or herniated nucleus pulposus. Prolonged seating exposure, coupled with the whole body vibration, should be reduced for those recovering from these problems. Vibration attenuating seats and correct ergonomic layout of the cabs may reduce the risks of recurrence.

  16. Vibrational Action Spectroscopy of Solids: New Surface-Sensitive Technique

    Science.gov (United States)

    Wu, Zongfang; Płucienik, Agata; Feiten, Felix E.; Naschitzki, Matthias; Wachsmann, Walter; Gewinner, Sandy; Schöllkopf, Wieland; Staemmler, Volker; Kuhlenbeck, Helmut; Freund, Hans-Joachim

    2017-09-01

    Vibrational action spectroscopy employing infrared radiation from a free-electron laser has been successfully used for many years to study the vibrational and structural properties of gas phase aggregates. Despite the high sensitivity of this method no relevant studies have yet been conducted for solid sample surfaces. We have set up an experiment for the application of this method to such targets, using infrared light from the free-electron laser of the Fritz Haber Institute. In this Letter, we present first results of this technique with adsorbed argon and neon atoms as messengers. We were able to detect surface-located vibrations of a thin V2O3(0 0 0 1 ) film on Au(111) as well as adsorbate vibrations, demonstrating that this method is highly surface sensitive. We consider that the dominant channel for desorption of the messenger atoms is direct inharmonic vibrational coupling, which is essentially insensitive to subsurface or bulk vibrations. Another channel is thermal desorption due to sample heating by absorption of infrared light. The high surface sensitivity of the nonthermal channel and its insensitivity to subsurface modes makes this technique an ideal tool for the study of surface-located vibrations.

  17. Nonlinear vibration of edge cracked functionally graded Timoshenko beams

    Science.gov (United States)

    Kitipornchai, S.; Ke, L. L.; Yang, J.; Xiang, Y.

    2009-07-01

    Nonlinear vibration of beams made of functionally graded materials (FGMs) containing an open edge crack is studied in this paper based on Timoshenko beam theory and von Kármán geometric nonlinearity. The cracked section is modeled by a massless elastic rotational spring. It is assumed that material properties follow exponential distributions through beam thickness. The Ritz method is employed to derive the governing eigenvalue equation which is then solved by a direct iterative method to obtain the nonlinear vibration frequencies of cracked FGM beams with different end supports. A detailed parametric study is conducted to study the influences of crack depth, crack location, material property gradient, slenderness ratio, and end supports on the nonlinear free vibration characteristics of cracked FGM beams. It is found that unlike isotropic homogeneous beams, both intact and cracked FGM beams show different vibration behavior at positive and negative amplitudes due to the presence of bending-extension coupling in FGM beams.

  18. Experimental identification of viscous damping in linear vibration

    Science.gov (United States)

    Srikantha Phani, A.; Woodhouse, J.

    2009-01-01

    This paper is concerned with the experimental evaluation of the performance of viscous damping identification methods in linear vibration theory. Both existing and some new methods proposed by the present authors [A.S. Phani, J. Woodhouse, Viscous damping identification in linear vibration, Journal of Sound and Vibration 303 (3-5) (2007) 475-500] are applied to experimental data measured on two test structures: a coupled three cantilever beam with moderate modal overlap and a free-free beam with low modal overlap. The performance of each method is quantified and compared based on three norms and the best methods are identified. The role of complex modes in damping identification from vibration measurements is critically assessed.

  19. Assignment of resonances in dissociative recombination of HD+ ions: high-resolution measurements compared with accurate computations

    CERN Document Server

    Tamo, F O Waffeu; Motapon, O; Altevogt, S; Andrianarijaona, V M; Grieser, M; Lammich, L; Lestinsky, M; Motsch, M; Nevo, I; Novotny, S; Orlov, D A; Pedersen, H B; Schwalm, D; Sprenger, F; Urbain, X; Weigel, U; Wolf, A; Schneider, I F

    2011-01-01

    The collision-energy resolved rate coefficient for dissociative recombination of HD+ ions in the vibrational ground state is measured using the photocathode electron target at the heavy-ion storage ring TSR. Rydberg resonances associated with ro-vibrational excitation of the HD+ core are scanned as a function of the electron collision energy with an instrumental broadening below 1 meV in the low-energy limit. The measurement is compared to calculations using multichannel quantum defect theory, accounting for rotational structure and interactions and considering the six lowest rotational energy levels as initial ionic states. Using thermal equilibrium level populations at 300 K to approximate the experimental conditions, close correspondence between calculated and measured structures is found up to the first vibrational excitation threshold of the cations near 0.24 eV. Detailed assignments, including naturally broadened and overlapping Rydberg resonances, are performed for all structures up to 0.024 eV. Resona...

  20. Composite Struts Would Damp Vibrations

    Science.gov (United States)

    Dolgin, Benjamin P.

    1991-01-01

    New design of composite-material (fiber/matrix laminate) struts increases damping of longitudinal vibrations without decreasing longitudinal stiffness or increasing weight significantly. Plies with opposing chevron patterns of fibers convert longitudinal vibrational stresses into shear stresses in intermediate viscoelastic layer, which dissipate vibrational energy. Composite strut stronger than aluminum strut of same weight and stiffness.

  1. Ship Vibration Design Guide

    Science.gov (United States)

    1989-07-01

    Frachtschiffen," Werft Reederie Hafen, 1925. 4-21 Noonan, E. F. "Vibration Considerations for 120,000 CM LNG Ships," NKF: Preliminary Report No. 7107, 25...Ship Response to Ice - A Second Season by C. Daley, J. W. St. John, R. Brown, J. Meyer , and I. Glen 1990 SSC-340 Ice Forces and Ship Response to Ice

  2. Vibrations and Eigenvalues

    Indian Academy of Sciences (India)

    The vibrating string problem is the source of much mathematicsand physics. This article describes Lagrange's formulationof a discretised version of the problem and its solution.This is also the first instance of an eigenvalue problem. Author Affiliations. Rajendra Bhatia1. Ashoka University, Rai, Haryana 131 029, India.

  3. Vibration Sensitive Keystroke Analysis

    NARCIS (Netherlands)

    Lopatka, M.; Peetz, M.-H.; van Erp, M.; Stehouwer, H.; van Zaanen, M.

    2009-01-01

    We present a novel method for performing non-invasive biometric analysis on habitual keystroke patterns using a vibration-based feature space. With the increasing availability of 3-D accelerometer chips in laptop computers, conventional methods using time vectors may be augmented using a distinct

  4. Consideration of grip and push forces for the assessment of vibration exposure.

    Science.gov (United States)

    Riedel, S

    1995-01-01

    There is much influence of the coupling forces between hand and grip of the vibrating tool on the measuring results as well as on the vibration effects on the hand-arm system. In a research project the effects of grip and push forces on acute responses of the hand-arm system under vibration conditions have been studied. Using these results of the biodynamic response, vibration perception threshold and subjective vibration sensation a bonus/malus system for a correction of the measured frequency-weighted r.m.s. acceleration was drafted, to assess the hand-arm vibration at the workplace: Since there is no difference between the acute effects of grip force and push force, so the forces have to be added and defined as coupling force Fcf. On the basis of this coupling force Fcf a correcting factor cF may be calculated. The factor amounts to 0.6 at Fcf = 20 N, 1.0 at Fcf = 120 N and 1.1 at Fcf = 200 N. To correct the measured weighted r.m.s. acceleration ahwz (Fcf) depending on coupling forces the r.m.s. acceleration has to be multiplied with the correcting factor cF. The drafted procedure enables to assess vibration exposure depending on coupling forces in a standardized way.

  5. Enhanced Computational Toolbox Including Multiquantum Vibration-Translation (VT) & Vibration-Electronic (VE) Exchanges, Dissociation and Radiation Effects. Deliverable 4

    Science.gov (United States)

    2011-04-30

    33, pp.1064-1069 (1995). [8] Y. Stupochenko, S. Losev , and A. Osipov, “Relaxation in Shock Waves.” (Springer- Verlag, Berlin, 1967). [9] R...8217’’ ’ , , (26) where rate coefficients Mk and Mk ’ are expressed in the Arrhenius form from Losev et al. [52] for N2 molecules. We apply the governing...S. A. Losev and V. N. Yarygina, Russ.J.Phys.Chem.B 3, 641 (2009). [53] S. Edwards, J.Y. Roncin, F. Launay and F. Rostas, J. Mol. Spectrosc. 162

  6. Effect of horizontal wave barriers on ground vibration propagation.

    Science.gov (United States)

    Grau, L; Laulagnet, B

    2015-09-01

    The aim of this article is to introduce a method to mitigate ground surface vibration through a flexural plate coupled to the ground and acting as a horizontal wave barrier. Using the thin plate hypothesis, two flexural plates are coupled to the ground, the first plate being the excited plate and the second plate the horizontal wave barrier. For instance, the first plate may represent a slab track and be excited by the tramway wheels. A solution to the problem can be found using a spatial two-dimensional Fourier transform of the elastodynamics equation for the ground and a modal decomposition for the flexural plate vibration. The authors show that vibration is substantially mitigated by the horizontal wave barrier and depends on its thickness and width. When the top surface wavelength becomes smaller than twice the plate width, the horizontal wave barrier acts as a wave barrier in the frequency range of interest, i.e., from 20 Hz.

  7. Vibrational spectroscopic study of nickel (II) formate, Ni(HCO 2) 2, and its aqueous solution

    Science.gov (United States)

    Edwards, H. G. M.; Knowles, A.

    1992-04-01

    A vibrational spectroscopic study of nickel (II) formate and its aqueous solution has been made. The vibrations characteristic of a formato—nickel complex have been assigned and it is concluded that the species Ni(HCO 2) +(HCO 2) - exists in the solid state, with monodentate ligand-to-metal bonding. The Raman spectrum of an aqueous solution of nickel (II) formate indicates that complete dissociation of the formato—nickel (II) species occurs to formate ions and nickel (II) hexa-aquo ions. Comparisons are made with other nickel (II) carboxylates.

  8. Psychotherapy and pharmacotherapy for patients with dissociative identity disorder.

    Science.gov (United States)

    Gentile, Julie P; Dillon, Kristy S; Gillig, Paulette Marie

    2013-02-01

    There is a wide variety of what have been called "dissociative disorders," including dissociative amnesia, dissociative fugue, depersonalization disorder, dissociative identity disorder, and forms of dissociative disorder not otherwise specified. Some of these diagnoses, particularly dissociative identity disorder, are controversial and have been questioned by many clinicians over the years. The disorders may be under-diagnosed or misdiagnosed, but many persons who have experienced trauma report "dissociative" symptoms. Prevalence of dissociative disorders is unknown, but current estimates are higher than previously thought. This paper reviews clinical, phenomenological, and epidemiological data regarding diagnosis in general, and illustrates possible treatment interventions for dissociative identity disorder, with a focus on psychotherapy interventions and a review of current psychopharmacology recommendations as part of a comprehensive multidisciplinary treatment plan.

  9. Dissociation in virtual reality: depersonalization and derealization

    Science.gov (United States)

    Garvey, Gregory P.

    2010-01-01

    This paper looks at virtual worlds such as Second Life7 (SL) as possible incubators of dissociation disorders as classified by the Diagnostic and Statistical Manual of Mental Disorders, 4th Edition3 (also known as the DSM-IV). Depersonalization is where "a person feels that he or she has changed in some way or is somehow unreal." Derealization when "the same beliefs are held about one's surroundings." Dissociative Identity Disorder (DID), previously known as multiple personality disorder fits users of Second Life who adopt "in-world" avatars and in effect, enact multiple distinct identities or personalities (known as alter egos or alters). Select questions from the Structured Clinical Interview for Depersonalization (SCI-DER)8 will be discussed as they might apply to the user's experience in Second Life. Finally I would like to consider the hypothesis that rather than a pathological disorder, dissociation is a normal response to the "artificial reality" of Second Life.

  10. Dissociation mechanisms of photoexcited molecular ions

    CERN Document Server

    Inglis, L C

    2003-01-01

    Photoionisation of gas phase molecules, in the energy range 8 - 40 eV, and the subsequent dissociation mechanisms have been investigated using threshold photoelectron spectroscopy and ion time-of-flight mass spectrometry. The excitation source used was monochromatic radiation, delivered by station 3.2 at the Daresbury Laboratory Synchrotron Radiation Source. These two techniques have also been combined in threshold photoelectron-photoion coincidence experiments, in order to record coincidence time-of-flight mass spectra and thereby determine breakdown curves. Such curves display the ion fragmentation as a function of internal energy. In addition, computer modelling techniques have been employed to gain some understanding of the unimolecular dissociations of energy selected molecular ions by establishing theoretical breakdown graphs, appearance energies, fragmentation pathways and dissociation rates. Ab initio quantum chemistry calculations have been carried out, generating ionisation and appearance energies, ...

  11. Analysis of radial vibrations of poroelastic circular cylindrical shells ...

    African Journals Online (AJOL)

    DR OKE

    Gazis (1959) discussed the propagation of free harmonic waves along a hollow elastic circular cylinder of infinite extent and solved the frequency equation ... The coefficient Q represents the coupling between the volume change of the ... can readily be evaluated for steady state harmonic vibrations from equations (1) are.

  12. Manipulation of molecular vibrational motions via pure rotational excitations

    DEFF Research Database (Denmark)

    Shu, Chuan-Cun; Henriksen, Niels Engholm

    2015-01-01

    The coupling between different molecular degrees of freedom plays a decisive role in many quantum phenomena, including electron transfer and energy redistribution. Here, we demonstrate a quantum-mechanical time-dependent simulation to explore how a vibrational motion in a molecule can be affected...

  13. Kinetics of electrons and neutral particles in radio-frequency transformer coupled plasma H- ion source at Seoul National University

    Science.gov (United States)

    Chung, K. J.; Dang, J. J.; Kim, J. Y.; Cho, W. H.; Hwang, Y. S.

    2016-10-01

    In volume production H- ion sources, control of electron temperature is essential due to its close correlation with the generation of vibrationally-excited hydrogen molecules in the driver region as well as the generation of H- ions by dissociative attachment in the extraction region. In the ion source group at Seoul National University (SNU) in Korea, a lot of research effort has been made to the development of a volume production H- ion source based on radio-frequency (RF) transformer-coupled plasma (TCP) for long lifetime continuous wave (CW) operation. It has a spiral RF antenna located outside the discharge chamber to generate a plasma with high electron temperature in the driver region and employs a magnetic filter field to prevent high energy electrons from being transported to the extraction region. In this paper, we present the recent progress on understanding of the underlying physics of the RF TCP H- ion source at SNU. Special attention is paid to the characterization of electron kinetics regime for controlling electron energy distribution and the influence of relaxation of neutral particles during the transport across the magnetic filter region. Effect of the degree of dissociation on the production of H- ions is also discussed.

  14. Semiclassical Calculation of Reaction Rate Constants for Homolytical Dissociations

    Science.gov (United States)

    Cardelino, Beatriz H.

    2002-01-01

    There is growing interest in extending organometallic chemical vapor deposition (OMCVD) to III-V materials that exhibit large thermal decomposition at their optimum growth temperature, such as indium nitride. The group III nitrides are candidate materials for light-emitting diodes and semiconductor lasers operating into the blue and ultraviolet regions. To overcome decomposition of the deposited compound, the reaction must be conducted at high pressures, which causes problems of uniformity. Microgravity may provide the venue for maintaining conditions of laminar flow under high pressure. Since the selection of optimized parameters becomes crucial when performing experiments in microgravity, efforts are presently geared to the development of computational OMCVD models that will couple the reactor fluid dynamics with its chemical kinetics. In the present study, we developed a method to calculate reaction rate constants for the homolytic dissociation of III-V compounds for modeling OMCVD. The method is validated by comparing calculations with experimental reaction rate constants.

  15. The dissociable effects of punishment and reward on motor learning.

    Science.gov (United States)

    Galea, Joseph M; Mallia, Elizabeth; Rothwell, John; Diedrichsen, Jörn

    2015-04-01

    A common assumption regarding error-based motor learning (motor adaptation) in humans is that its underlying mechanism is automatic and insensitive to reward- or punishment-based feedback. Contrary to this hypothesis, we show in a double dissociation that the two have independent effects on the learning and retention components of motor adaptation. Negative feedback, whether graded or binary, accelerated learning. While it was not necessary for the negative feedback to be coupled to monetary loss, it had to be clearly related to the actual performance on the preceding movement. Positive feedback did not speed up learning, but it increased retention of the motor memory when performance feedback was withdrawn. These findings reinforce the view that independent mechanisms underpin learning and retention in motor adaptation, reject the assumption that motor adaptation is independent of motivational feedback, and raise new questions regarding the neural basis of negative and positive motivational feedback in motor learning.

  16. Topological material layout in plates for vibration suppression and wave propagation control

    DEFF Research Database (Denmark)

    Larsen, Anders Astrup; Laksafoss, B.; Jensen, Jakob Søndergaard

    2009-01-01

    plate theory coupled with analytical sensitivity analysis using the adjoint method and an iterative design update procedure based on a mathematical programming tool. We demonstrate the capability of the method by designing bi-material plates that, when subjected to harmonic excitation, either......We propose a topological material layout method to design elastic plates with optimized properties for vibration suppression and guided transport of vibration energy. The gradient-based optimization algorithm is based on a finite element model of the plate vibrations obtained using the Mindlin...... effectively suppress the overall vibration level or alternatively transport energy in predefined paths in the plates, including the realization of a ring wave device....

  17. Vibration Suppression of an Axially Moving String with Transverse Wind Loadings by a Nonlinear Energy Sink

    Directory of Open Access Journals (Sweden)

    Ye-Wei Zhang

    2013-01-01

    Full Text Available Nonlinear targeted energy transfer (TET is applied to suppress the excessive vibration of an axially moving string with transverse wind loads. The coupling dynamic equations used are modeled by a nonlinear energy sink (NES attached to the string to absorb vibrational energy. By a two-term Galerkin procedure, the equations are discretized, and the effects of vibration suppression by numerical methods are demonstrated. Results show that the NES can effectively suppress the vibration of the axially moving string with transverse wind loadings, thereby protecting the string from excessive movement.

  18. Swirling flow of a dissociated gas

    Science.gov (United States)

    Wolfram, W. R., Jr.; Walker, W. F.

    1975-01-01

    Most physical applications of the swirling flow, defined as a vortex superimposed on an axial flow in the nozzle, involve high temperatures and the possibility of real gas effects. The generalized one-dimensional swirling flow in a converging-diverging nozzle is analyzed for equilibrium and frozen dissociation using the ideal dissociating gas model. Numerical results are provided to illustrate the major effects and to compare with results obtained for a perfect gas with constant ratio of specific heats. It is found that, even in the case of real gases, perfect gas calculations can give a good estimate of the reduction in mass flow due to swirl.

  19. Phenol dissociation on pristine and defective graphene

    Science.gov (United States)

    Widjaja, Hantarto; Oluwoye, Ibukun; Altarawneh, Mohammednoor; Hamra, A. A. B.; Lim, H. N.; Huang, N. M.; Yin, Chun-Yang; Jiang, Zhong-Tao

    2017-03-01

    Phenol (C6H5O‒H) dissociation on both pristine and defective graphene sheets in terms of associated enthalpic requirements of the reaction channels was investigated. Here, we considered three common types of defective graphene, namely, Stone-Wales, monovacancy and divacancy configurations. Theoretical results demonstrate that, graphene with monovacancy creates C atoms with dangling bond (unpaired valence electron), which remains particularly useful for spontaneous dissociation of phenol into phenoxy (C6H5O) and hydrogen (H) atom. The reactions studied herein appear barrierless with reaction exothermicity as high as 2.2 eV. Our study offers fundamental insights into another potential application of defective graphene sheets.

  20. Animal Communications Through Seismic Vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Hill, Peggy (University of Tulsa)

    2001-05-02

    Substrate vibration has been important to animals as a channel of communication for millions of years, but our literature on vibration in this context of biologically relevant information is only decades old. The jaw mechanism of the earliest land vertebrates allowed them to perceive substrate vibrations as their heads lay on the ground long before airborne sounds could be heard. Although the exact mechanism of vibration production and the precise nature of the wave produced are not always understood, recent development of affordable instrumentation to detect and measure vibrations has allowed researchers to answer increasingly sophisticated questions about how animals send and receive vibration signals. We now know that vibration provides information used in predator defense, prey detection, recruitment to food, mate choice, intrasexual competition, and maternal/brood social interactions in a variety of insect orders, spiders, crabs, scorpions, chameleons, frogs, golden moles, mole rats, kangaroos rats, wallabies, elephants and bison.

  1. On the dissociative electron attachment as a potential source of molecular hydrogen in irradiated liquid water

    Energy Technology Data Exchange (ETDEWEB)

    Cobut, V.; Jay-Gerin, J.-P.; Frongillo, Y. [Sherbrooke Univ., PQ (Canada). Faculte de Medecine; Patau, J.P. [Toulouse-3 Univ., 31 (France)

    1996-02-01

    In the radiolysis of liquid water, different mechanisms for the formation of molecular hydrogen (H{sub 2}) are involved at different times after the initial energy disposition. It has been suggested that the contributions of the e{sub aq}{sup -} + e{sub aq}{sup -}, H + e{sub aq}{sup -} and H + H reactions between hydrated electrons (e{sub aq}{sup -}) and hydrogen atoms in the spurs are not sufficient to account for all of the observed H{sub 2} yield (0.45 molecules/100 eV) on the microsecond time scale. Addressing the question of the origin of an unscavengeable H{sub 2} yield of 0.15 molecules/100 eV produced before spur expansion, we suggest that the dissociative capture of the so-called vibrationally-relaxing electrons by H{sub 2}O molecules is a possible pathway for the formation of part of the initial H{sub 2} yield. Comparison of recent dissociative-electron-attachment H{sup -}-anion yield-distribution measurements from amorphous H{sub 2}O films with the energy spectrum of vibrationally-relaxing electrons in irradiated liquid water, calculated by Monte Carlo simulations, plays in favor of this hypothesis. (author).

  2. Objective documentation of child abuse and dissociation in 12 murderers with dissociative identity disorder.

    Science.gov (United States)

    Lewis, D O; Yeager, C A; Swica, Y; Pincus, J H; Lewis, M

    1997-12-01

    The skepticism regarding the existence of dissociative identity disorder as well as the abuse that engenders it persists for lack of objective documentation. This is doubly so for the disorder in murderers because of issues of suspected malingering. This article presents objective verification of both dissociative symptoms and severe abuse during childhood in a series of adult murderers with dissociative identity disorder. This study consisted of a review of the clinical records of 11 men and one woman with DSM-IV-defined dissociative identity disorder who had committed murder. Data were gathered from medical, psychiatric, social service, school, military, and prison records and from records of interviews with subjects' family members and others. Handwriting samples were also examined. Data were analyzed qualitatively. Signs and symptoms of dissociative identity disorder in childhood and adulthood were corroborated independently and from several sources in all 12 cases; objective evidence of severe abuse was obtained in 11 cases. The subjects had amnesia for most of the abuse and underreported it. Marked changes in writing style and/or signatures were documented in 10 cases. This study establishes, once and for all, the linkage between early severe abuse and dissociative identity disorder. Further, the data demonstrate that the disorder can be distinguished from malingering and from other disorders. The study shows that it is possible, with great effort, to obtain objective evidence of both the symptoms of dissociative identity disorder and the abuse that engenders it.

  3. Barrierless association of CF2 and dissociation of C2F4 by variational transition-state theory and system-specific quantum Rice-Ramsperger-Kassel theory.

    Science.gov (United States)

    Bao, Junwei Lucas; Zhang, Xin; Truhlar, Donald G

    2016-11-29

    Bond dissociation is a fundamental chemical reaction, and the first principles modeling of the kinetics of dissociation reactions with a monotonically increasing potential energy along the dissociation coordinate presents a challenge not only for modern electronic structure methods but also for kinetics theory. In this work, we use multifaceted variable-reaction-coordinate variational transition-state theory (VRC-VTST) to compute the high-pressure limit dissociation rate constant of tetrafluoroethylene (C2F4), in which the potential energies are computed by direct dynamics with the M08-HX exchange correlation functional. To treat the pressure dependence of the unimolecular rate constants, we use the recently developed system-specific quantum Rice-Ramsperger-Kassel theory. The calculations are carried out by direct dynamics using an exchange correlation functional validated against calculations that go beyond coupled-cluster theory with single, double, and triple excitations. Our computed dissociation rate constants agree well with the recent experimental measurements.

  4. Barrierless association of CF2 and dissociation of C2F4 by variational transition-state theory and system-specific quantum Rice–Ramsperger–Kassel theory

    Science.gov (United States)

    Bao, Junwei Lucas; Zhang, Xin

    2016-01-01

    Bond dissociation is a fundamental chemical reaction, and the first principles modeling of the kinetics of dissociation reactions with a monotonically increasing potential energy along the dissociation coordinate presents a challenge not only for modern electronic structure methods but also for kinetics theory. In this work, we use multifaceted variable-reaction-coordinate variational transition-state theory (VRC-VTST) to compute the high-pressure limit dissociation rate constant of tetrafluoroethylene (C2F4), in which the potential energies are computed by direct dynamics with the M08-HX exchange correlation functional. To treat the pressure dependence of the unimolecular rate constants, we use the recently developed system-specific quantum Rice–Ramsperger–Kassel theory. The calculations are carried out by direct dynamics using an exchange correlation functional validated against calculations that go beyond coupled-cluster theory with single, double, and triple excitations. Our computed dissociation rate constants agree well with the recent experimental measurements. PMID:27834727

  5. Vibration Attenuation of Plate Using Multiple Vibration Absorbers

    Directory of Open Access Journals (Sweden)

    Zaman Izzuddin

    2014-07-01

    Full Text Available Vibrations are undesired phenomenon and it can cause harm, distress and unsettling influence to the systems or structures, for example, aircraft, automobile, machinery and building. One of the approach to limit this vibration by introducing passive vibration absorber attached to the structure. In this paper, the adequacy of utilizing passive vibration absorbers are investigated. The vibration absorber system is designed to minimize the vibration of a thin plate fixed along edges. The plate’s vibration characteristics, such as, natural frequency and mode shape are determined using three techniques: theoretical equations, finite element (FE analysis and experiment. The results demonstrate that the first four natural frequencies of fixed-fixed ends plate are 48, 121, 193 and 242 Hz, and these results are corroborated well with theoretical, FE simulation and experiment. The experiment work is further carried out with attached single and multiple vibration absorbers onto plate by tuning the absorber’s frequency to match with the excitation frequency. The outcomes depict that multiple vibration absorbers are more viable in lessening the global structural vibration.

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

    Science.gov (United States)

    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.

  7. Ab initio vibrations in nonequilibrium nanowires

    DEFF Research Database (Denmark)

    Jauho, Antti-Pekka; Engelund, Mads; Markussen, T

    2010-01-01

    predictions for the thermoelectric properties, while for the atomic gold chains we evaluate microscopically the damping of the vibrations, due to the coupling of the chain atoms to the modes in the bulk contacts. Both approaches are based on the combination of density-functional theory, and nonequilibrium......We review recent results on electronic and thermal transport in two different quasi one-dimensional systems: Silicon nanowires (SiNW) and atomic gold chains. For SiNW's we compute the ballistic electronic and thermal transport properties on equal footing, allowing us to make quantitative...

  8. Acoustically Driven Vibrations in Cylindrical Structures

    Energy Technology Data Exchange (ETDEWEB)

    Chambers, David H. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2013-10-11

    The purpose of this investigation is to explore the interaction of acoustics and vibration in fluid-filled cylindrical structures. Our emphasis is on describing longitudinal (axial) propagation within the structure for acoustic signals that enter externally. This paper reviews the historical and theoretical treatments of the relevant phenomenon important to the propagation of these signals along pipe structures. Our specific contribution is a detailed analysis of how external acoustic signals are coupled to a free standing pipe. There have been numerous phenomena for which these analyses are applicable. They have ranged from physical property measurements, to indoor environmental noise abatement, and onto quite significant explorations of active and passive submerged structures.

  9. Investigation on random vibration of a drillstring

    Science.gov (United States)

    Qiu, Hongyuan; Yang, Jianming; Butt, Stephen; Zhong, Jinghan

    2017-10-01

    This paper investigates the axial-torsional coupled vibration of a drill-string under combined deterministic and random excitations. Finite element method (FEM) is used to model the system. The random excitation at the bit-rock interaction, which is considered in the bit axial direction, is treated as Gaussian white noise. Statistic linearization is first applied to find a equivalent linear dynamic system which is then solved with stochastic Newmark algorithm. The statistics of the responses, including the means and standard deviations of the bit axial displacement and rotational velocity are obtained and analyzed.

  10. A Structures for Lossless Ion Manipulations (SLIM) Module for Collision Induced Dissociation

    OpenAIRE

    Webb, Ian K.; Garimella, Sandilya V.B.; Norheim, Randolph V.; Baker, Erin S.; Ibrahim, Yehia M.; Smith, Richard D.

    2016-01-01

    A collision induced dissociation (CID) structures for lossless ion manipulations (SLIM) module is introduced and coupled to a quadrupole time-of-flight (QTOF) mass spectrometer (MS). The SLIM CID module was mounted after an ion mobility (IM) drift tube to enable IM/CID/MS studies. The efficiency of CID was studied by using the model peptide leucine enkephalin. CID efficiencies (62%) compared favorably to other beam-type CID methods. Additionally, the SLIM CID module was used to fragment a mix...

  11. Near-field infrared vibrational dynamics and tip-enhanced decoherence.

    Science.gov (United States)

    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.

  12. Anharmonic bend-stretch coupling in neat liquid water

    NARCIS (Netherlands)

    Lindner, Joerg; Cringus, Dan; Pshenichnikov, Maxim S.; Voehringer, Peter

    2007-01-01

    Femtosecond mid-IR spectroscopy is used to study the vibrational relaxation dynamics in neat liquid water. By exciting the bending vibration and probing the stretching mode, it is possible to reliably determine the bending and librational lifetimes of water. The anharmonic coupling between the

  13. The Effect of Carbon Monoxide Co-Adsorption on Ni-Catalysed Water Dissociation

    Directory of Open Access Journals (Sweden)

    Abas Mohsenzadeh

    2013-11-01

    Full Text Available The effect of carbon monoxide (CO co-adsorption on the dissociation of water on the Ni(111 surface has been studied using density functional theory. The structures of the adsorbed water molecule and of the transition state are changed by the presence of the CO molecule. The water O–H bond that is closest to the CO is lengthened compared to the structure in the absence of the CO, and the breaking O–H bond in the transition state structure has a larger imaginary frequency in the presence of CO. In addition, the distances between the Ni surface and H2O reactant and OH and H products decrease in the presence of the CO. The changes in structures and vibrational frequencies lead to a reaction energy that is 0.17 eV less exothermic in the presence of the CO, and an activation barrier that is 0.12 eV larger in the presence of the CO. At 463 K the water dissociation rate constant is an order of magnitude smaller in the presence of the CO. This reveals that far fewer water molecules will dissociate in the presence of CO under reaction conditions that are typical for the water-gas-shift reaction.

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

    Science.gov (United States)

    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.

  15. Pickin’ up good vibrations

    CERN Multimedia

    Katarina Anthony

    2015-01-01

    In preparation for the civil engineering work on the HL-LHC, vibration measurements were carried out at the LHC’s Point 1 last month. These measurements will help evaluate how civil engineering work could impact the beam, and will provide crucial details about the site’s geological make-up before construction begins.   A seismic truck at Point 1 generated wave-like vibrations measured by EN/MME. From carrying out R&D to produce state-of-the-art magnets to developing innovative, robust materials capable of withstanding beam impact, the HL-LHC is a multi-faceted project involving many groups and teams across CERN’s departments. It was in this framework that the project management mandated CERN's Mechanical and Materials Engineering (EN/MME) group to measure the propagation of vibrations around Point 1. Their question: can civil engineering work for the HL-LHC – the bulk of which is scheduled for LS2 – begin while the LHC is running? Alth...

  16. Vibrational stability of graphene

    Directory of Open Access Journals (Sweden)

    Yangfan Hu

    2013-05-01

    Full Text Available The mechanical stability of graphene as temperature rises is analyzed based on three different self-consistent phonon (SCP models. Compared with three-dimensional (3-D materials, the critical temperature Ti at which instability occurs for graphene is much closer to its melting temperature Tm obtained from Monte Carlo simulation (Ti ≃ 2Tm, K. V. Zakharchenko, A. Fasolino, J. H. Los, and M. I. Katsnelson, J. Phys. Condens. Matter 23, 202202. This suggests that thermal vibration plays a significant role in melting of graphene while melting for 3-D materials is often dominated by topologic defects. This peculiar property of graphene derives from its high structural anisotropy, which is characterized by the vibrational anisotropic coefficient (VAC, defined upon its Lindermann ratios in different directions. For any carbon based material with a graphene-like structure, the VAC value must be smaller than 5.4 to maintain its stability. It is also found that the high VAC value of graphene is responsible for its negative thermal expansion coefficient at low temperature range. We believe that the VAC can be regarded as a new criterion concerning the vibrational stability of any low-dimensional (low-D materials.

  17. Dissociation between two subgroups of the suprachiasmatic nucleus affected by the number of damped oscillated neurons

    Science.gov (United States)

    Gu, Changgui; Yang, Huijie; Rohling, Jos HT

    2017-03-01

    In mammals, the main clock located in the suprachiasmatic nucleus (SCN) of the brain synchronizes the body rhythms to the environmental light-dark cycle. The SCN is composed of about 2 ×104 neurons which can be classified into three oscillatory phenotypes: self-sustained oscillators, damped oscillators, and arrhythmic neurons. Exposed to an artificial external light-dark cycle with a period of 22 h instead of 24 h , two subgroups of the SCN can become desynchronized (dissociated). The ventrolateral (VL) subgroup receives photic input and is entrained to the external cycle and a dorsomedial (DM) subgroup oscillates with its endogenous (i.e., free running) period and is synchronized to the external light-dark cycle through coupling from the VL. In the present study, we examined the effects of damped oscillatory neurons on the dissociation between VL and DM under an external 22 h cycle. We found that, with increasing numbers of damped oscillatory neurons located in the VL, the dissociation between the VL and DM emerges, but if these neurons are increasingly present in the DM the dissociation disappears. Hence, the damped oscillatory neurons in different subregions of the SCN play distinct roles in the dissociation between the two subregions of the SCN. This shows that synchrony between SCN subregions is affected by the number of damped oscillatory neurons and the location of these cells. We suggest that more knowledge on the number and the location of these cells may explain why some species do show a dissociation between the subregions and others do not, as the distribution of oscillatory types of neurons offers a plausible and novel candidate mechanism to explain heterogeneity.

  18. Control of noise and structural vibration a MATLAB-based approach

    CERN Document Server

    Mao, Qibo

    2013-01-01

    Control of Noise and Structural Vibration presents a MATLAB®-based approach to solving the problems of undesirable noise generation and transmission by structures and of undesirable vibration within structures in response to environmental or operational forces. The fundamentals of acoustics, vibration and coupling between vibrating structures and the sound fields they generate are introduced including a discussion of the finite element method for vibration analysis. Following this, the treatment of sound and vibration control begins, illustrated by example systems such as beams, plates and double plate structures. Sensor and actuator placement is explained as is the idea of modal sensor–actuators. The design of appropriate feedback systems includes consideration of basic stability criteria and robust active structural acoustic control. Single and multi-mode positive position feedback (PPF) control systems are also described in the context of loudspeaker–duct model with non-collocated loudspeaker–microp...

  19. Interaction between Uneven Cavity Length and Shaft Vibration at the Inception of Synchronous Rotating Cavitation

    Directory of Open Access Journals (Sweden)

    Y. Yoshida

    2008-01-01

    Full Text Available Asymmetric cavitation is known as one type of the sources of cavitation induced vibration in turbomachinery. Cavity lengths are unequal on each blade under condition of synchronous rotating cavitation, which causes synchronous shaft vibration. To investigate the relationship of the cavity length, fluid force, and shaft vibration in a cavitating inducer with three blades, we observed the unevenness of cavity length at the inception of synchronous rotating cavitation. The fluid force generated by the unevenness of the cavity length was found to grow exponentially, and the amplitude of shaft vibration was observed to increase exponentially. These experimental results indicate that the synchronous shaft vibration due to synchronous rotating cavitation is like selfexcited vibrations arising from the coupling between cavitation instability and rotordynamics.

  20. From dissociated hegemony towards embedded hegemony

    NARCIS (Netherlands)

    Gaay Fortman, B. de; Dhanrajgir, Nikhil

    2005-01-01

    An earlier paper by the second author, entitled ‘Bella Americana: Some Consequences for the International Community’ [1], dealt with the background and consequences of the American dissociation from the international legal and political order created after World War II. The current article