WorldWideScience

Sample records for anharmonic vibrational models

  1. Anharmonicities of coupled β and γ vibrations discussed in a simple model

    International Nuclear Information System (INIS)

    Piepenbring, R.; Silvestre-Brac, B.; Szymanski, Z.

    1984-01-01

    The multiphonon method based on β and γ phonons is tested in a simple model allowing an exact solution for a many body fermion system where pairing and quadrupole forces are acting. The properties exhibiting the anharmonicities of the lowest-lying vibrational states of positive parity are nicely reproduced by this method. (orig.)

  2. Anharmonicities of coupled β and γ vibrations discussed in a simple model

    International Nuclear Information System (INIS)

    Piepenbring, R.; Silvestre-Brac, B.; Szymanski, Z.

    1983-11-01

    The multiphonon method based on β and γ phonons is tested in a simple model allowing an exact solution for a many body fermion system where pairing and quadrupole forces are acting. The properties exhibiting the anharmonicities of the lowest-lying vibrational states of positive parity are nicely reproduced by this method

  3. Anharmonic Vibrational Spectroscopy on Metal Transition Complexes

    Science.gov (United States)

    Latouche, Camille; Bloino, Julien; Barone, Vincenzo

    2014-06-01

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

  4. Nuclear catalysis mediated by localized anharmonic vibrations

    OpenAIRE

    Dubinko, Vladimir

    2015-01-01

    In many-body nonlinear systems with sufficient anharmonicity, a special kind of lattice vibrations, namely, Localized Anharmonic Vibrations (LAVs) can be excited either thermally or by external triggering, in which the amplitude of atomic oscillations greatly exceeds that of harmonic oscillations (phonons) that determine the system temperature. Coherency and persistence of LAVs may have drastic effect on quantum tunneling due to correlation effects discovered by Schrodinger and Robertson in 1...

  5. Anharmonic vibrational spectroscopic investigation of malonaldehyde

    International Nuclear Information System (INIS)

    Alparone, A.; Millefiori, S.

    2003-01-01

    Anharmonic IR spectra of H-bonded and non-H-bonded conformers of malonaldehyde (MA) and its isotopomers MA-D 6 D 8 and MA-D 7 D 9 have been computed by the Vibrational-Self-Consistent-Field (VSCF) and the correlation-corrected-VSCF (CC-VSCF) techniques using ab initio MP2/6-31G*(+p) potential energies. The agreement between the experimental and calculated frequencies is significantly improved to within 2-3%. Anharmonic contributions are substantial especially for νOH of the H-bonded form, by reducing the harmonic value by more than 500 cm -1 . The effect is less important in the non-H-bonded form. The νOH stretching mode is strongly coupled with the ν 3 mode (essentially νCH 7 ) and with the in-plane and out-of-plane OH bending deformations. H-bond formation and deuteration batochromically shift νOH by an amount which is influenced by the anharmonic terms, the major contribution arising from coupling between modes. The comparison with the νOH mode of some other H-bonded systems suggests that anharmonic correction follows H-bonding strength

  6. Anharmonicities in vibrational spectra of deformed nuclei discussed in a simple model. Pt. 2

    International Nuclear Information System (INIS)

    Piepenbring, R.; Silvestre-Brac, B.; Szymanski, Z.

    1982-01-01

    The Lipkin-Nogami method is applied to the multiphonon treatment of a model for which the exact solution is available. The better treatment of the number fluctuation improves drastically the ground-state energy, and to a less extent the energy spectrun. The domain of validity of the multiphonon method is enlarged with the help of the Nogami treatment. However, other observables cannot be easily described. The Lipkin-Nogami method is also compared to exact projection on good particle number in some particular cases. (orig.)

  7. Stochastic many-body perturbation theory for anharmonic molecular vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Hermes, Matthew R. [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801 (United States); Hirata, So, E-mail: sohirata@illinois.edu [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801 (United States); CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan)

    2014-08-28

    A new quantum Monte Carlo (QMC) method for anharmonic vibrational zero-point energies and transition frequencies is developed, which combines the diagrammatic vibrational many-body perturbation theory based on the Dyson equation with Monte Carlo integration. The infinite sums of the diagrammatic and thus size-consistent first- and second-order anharmonic corrections to the energy and self-energy are expressed as sums of a few m- or 2m-dimensional integrals of wave functions and a potential energy surface (PES) (m is the vibrational degrees of freedom). Each of these integrals is computed as the integrand (including the value of the PES) divided by the value of a judiciously chosen weight function evaluated on demand at geometries distributed randomly but according to the weight function via the Metropolis algorithm. In this way, the method completely avoids cumbersome evaluation and storage of high-order force constants necessary in the original formulation of the vibrational perturbation theory; it furthermore allows even higher-order force constants essentially up to an infinite order to be taken into account in a scalable, memory-efficient algorithm. The diagrammatic contributions to the frequency-dependent self-energies that are stochastically evaluated at discrete frequencies can be reliably interpolated, allowing the self-consistent solutions to the Dyson equation to be obtained. This method, therefore, can compute directly and stochastically the transition frequencies of fundamentals and overtones as well as their relative intensities as pole strengths, without fixed-node errors that plague some QMC. It is shown that, for an identical PES, the new method reproduces the correct deterministic values of the energies and frequencies within a few cm{sup −1} and pole strengths within a few thousandths. With the values of a PES evaluated on the fly at random geometries, the new method captures a noticeably greater proportion of anharmonic effects.

  8. Anharmonic thermal vibrations of be metal found in the MEM nuclear density map

    International Nuclear Information System (INIS)

    Takata, Masaki; Sakata, Makoto; Larsen, F.K.; Kumazawa, Shintaro; Iversen, B.B.

    1993-01-01

    A direct observation of the thermal vibrations of Be metal was performed by the Maximum Entropy Method (MEM) using neutron single crystal data. In the previous study, the existence of the small but significant cubic anharmonicity of Be has been found by the conventional least squares refinement of the observed structure factors [Larsen, Lehmann and Merisalo (1980) Acta Cryst. A36, 159-163]. In the present study, the same data were used for the MEM analysis which are comprised of 48 reflections up to sinθ/λ = 1.41A -1 in order to obtain the high resolution nuclear density of Be without using any thermal vibrational model. It was directly visible in the MEM map that not only the cubic terms but also quartic anharmonicities exist in the thermal vibrations of Be nuclei. In order to evaluate thermal parameters of Be including anharmonic terms quantitatively, the least squares refinement of the effective one-particle potential (OPP) parameters up to quartic term was carried out by using the MEM nuclear densities around atomic sites as the data set to be fitted. It was found that the present treatment has a great advantage to decide the most appropriate model of OPP by visually comparing the model with MEM density map. As a result of the least squares refinement, the anharmonic thermal parameters are obtained as α 33 = -0.340(5)[eV/A 3 ], α 40 = 0, β 20 = 9.89(1)[eV/A 4 ] and γ 00 = 0. No other anharmonic term was significant. (author)

  9. Anharmonic vibrational properties in periodic systems: energy, electron-phonon coupling, and stress

    OpenAIRE

    Monserrat, Bartomeu; Drummond, N. D.; Needs, R. J.

    2013-01-01

    A unified approach is used to study vibrational properties of periodic systems with first-principles methods and including anharmonic effects. Our approach provides a theoretical basis for the determination of phonon-dependent quantities at finite temperatures. The low-energy portion of the Born-Oppenheimer energy surface is mapped and used to calculate the total vibrational energy including anharmonic effects, electron-phonon coupling, and the vibrational contribution to the stress tensor. W...

  10. Vibrational spectra and thermal rectification in three-dimensional anharmonic lattices

    International Nuclear Information System (INIS)

    Lan Jinghua; Li Baowen

    2007-01-01

    We study thermal rectification in a three-dimensional model consisting of two segments of anharmonic lattices. One segment consists of layers of harmonic oscillator arrays coupled to a substrate potential, which is a three-dimensional Frenkel-Kontorova model, and the other segment is a three-dimensional Fermi-Pasta-Ulam model. We study the vibrational bands of the two lattices analytically and numerically, and find that, by choosing the system parameters properly, the rectification can be as high as a few thousands, which is high enough to be observed in experiment. Possible experiments in nanostructures are discussed

  11. Ab initio calculations of anharmonic vibrational circular dichroism intensities of trans-2,3-dideuteriooxirane

    DEFF Research Database (Denmark)

    Bak, KL; Bludsky, O.; Jorgensen, P

    1995-01-01

    A priori theory is derived for anharmonic calculations of vibrational circular dichroism (VCD). The anharmonic VCD expression is gauge origin independent and reduce to the magnetic field perturbation theory expression in the double-harmonic approximation. The theory has been implemented using...... for the atomic axial tensors and using second-order Moller-Plesset theory for the atomic polar tensors and the force fields, The changes of the vibrational rotatory strengths from anharmonicities are small, and do not explain the previously observed large discrepancies between the double-harmonic results...

  12. Numerical solutions of anharmonic vibration of BaO and SrO molecules

    Energy Technology Data Exchange (ETDEWEB)

    Pramudito, Sidikrubadi; Sanjaya, Nugraha Wanda [Theoretical Physics Division, Department of Physics, Bogor Agricultural University, Jalan Meranti Kampus IPB Dramaga Bogor 16680 (Indonesia); Sumaryada, Tony, E-mail: tsumaryada@ipb.ac.id [Theoretical Physics Division, Department of Physics, Bogor Agricultural University, Jalan Meranti Kampus IPB Dramaga Bogor 16680 (Indonesia); Computational Biophysics and Molecular Modeling Research Group (CBMoRG), Department of Physics, Bogor Agricultural University, Jalan Meranti Kampus IPB Dramaga Bogor 16680 (Indonesia)

    2016-03-11

    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. A study of anharmonic al and nonlinear behaviours of vibrations of atomic nuclei

    International Nuclear Information System (INIS)

    Volpe, M.C.

    1997-01-01

    Double Giant Resonances, vibrational states in which a Giant Resonance is excited on top of another Giant Resonance, have been in the last years the object of many theories and studies. Whereas the measured energies and widths of these states agree with a theoretical predictions, the measured excitation cross sections on the other hand are almost always larger than the calculated ones. The standard theoretical approaches are based both on a harmonic approximation for the collective motion on the nucleus and on its linear response to an external field. In this work the influence of anharmonicities and non-linearities in the external field on the excitation of Double Giant Resonances are studied. First, an oscillator model and an extension of the Lipkin-Meshkow-Glick model are used to study the effects of anharmonicities and non-linearities on the excitation probabilities. The results show that these terms can influence the excitation probability of the second excited state in a significant way. Secondly, these exactly soluble schematic models are used to study some of the approximations made in microscopic calculations based on boson expansion methods and also some aspects on the time-dependent mean field approach. Finally, a microscopic calculation of the Coulomb excitation cross sections of Double Giant Resonances is presented for several nuclei. It is found that, for 208 Pb, the inclusion of anharmonicities and non-linearities and the consideration of many states that play a role in the excitation process give a satisfactory agreement between calculated and observed cross sections. (author)

  14. Anharmonic Vibrations of an "Ideal" Hooke's Law Oscillator

    Science.gov (United States)

    Thomchick, John; McKelvey, J. P.

    1978-01-01

    Presents a model describing the vibrations of a mass connected to fixed supports by "ideal" Hooke's law springs which may serve as a starting point in the study of the properties of irons in a crystal undergoing soft mode activated transition. (SL)

  15. Anharmonicity of lattice vibrations induced by charged nickel additions in A sup 2 B sup 6 semiconductors

    CERN Document Server

    Sokolov, V I; Shirokov, E A; Kislov, A N

    2002-01-01

    Paper presents the results of investigations into lattice vibrations induced by nickel impurities charged negatively as to the lattice in ZnSe:Ni, ZnO:Ni, ZnS:Ni, CdS:Ni semiconductors. To investigate into vibrations one applies a sensitive technique of field exciton-oscillation spectroscopy. One observes experimentally oscillating reiterations of the impurity exciton head line including the intensive peaks of combined repetitions up to the 8-th order. The experimental results are discussed on the basis of the model estimations of oscillations of a lattice with a charged impurity centre, as well as, on the ground of calculations for oscillations of monoatomic chain with high anharmonicity. Charged impurity centres are shown to induce new oscillations of lattice - impurity anharmonic modes

  16. 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.

  17. Anharmonic vibrational modes of chemisorbed H on the Rh(001) surface

    International Nuclear Information System (INIS)

    Hamann, D.R.; Feibelman, P.J.

    1988-01-01

    The potential for H atoms in the vicinity of the fourfold hollow chemisorption site on the Rh(001) surface at monolayer coverage is calculated using local-density-functional theory, and the linear-augmented-plane-wave method. The potential is found to contain important anharmonic components, one that couples parallel and perpendicular motion, and another producing azimuthal anisotropy. Variational solutions are found for the ground and low-lying excited states of H and D in this potential. The fundamental asymmetric- and symmetric-stretch H vibrational excitations are found to have energies of 67 and 92 meV. The latter agrees with recent experimental results, and higher-lying experimental modes are interpreted as mixed excitations. Comparisons are made with spring-constant models, calculated potentials for H on Ni and Pd(001), and theories of Bloch states for H on Ni

  18. Improved models of dense anharmonic lattices

    Energy Technology Data Exchange (ETDEWEB)

    Rosenau, P., E-mail: rosenau@post.tau.ac.il; Zilburg, A.

    2017-01-15

    We present two improved quasi-continuous models of dense, strictly anharmonic chains. The direct expansion which includes the leading effect due to lattice dispersion, results in a Boussinesq-type PDE with a compacton as its basic solitary mode. Without increasing its complexity we improve the model by including additional terms in the expanded interparticle potential with the resulting compacton having a milder singularity at its edges. A particular care is applied to the Hertz potential due to its non-analyticity. Since, however, the PDEs of both the basic and the improved model are ill posed, they are unsuitable for a study of chains dynamics. Using the bond length as a state variable we manipulate its dispersion and derive a well posed fourth order PDE. - Highlights: • An improved PDE model of a Newtonian lattice renders compacton solutions. • Compactons are classical solutions of the improved model and hence amenable to standard analysis. • An alternative well posed model enables to study head on interactions of lattices' solitary waves. • Well posed modeling of Hertz potential.

  19. 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

  20. The influence of anharmonic vibrations of the core to M2-transition between low-lying states in 115Sn

    International Nuclear Information System (INIS)

    Sy Savane, Y.

    1995-12-01

    The influence of the anharmonicity of the core vibration, on the magnetic transition 11/2 - 1 → 7/2 + 1 in 115 Sn have been investigated in the frame of the quasiparticle-phonon nuclear model. The model wave function includes a ''quasiparticle + two phonons'' component. The performed numerical calculations show that those effects cannot explain the strong reduction of the M2-transition observed in the experiment. A full agreement with the experimental value is obtained with g eff s = 0.42g free s . (author). 10 refs, 2 figs, 1 tab

  1. Transformation of potential energy surfaces for estimating isotopic shifts in anharmonic vibrational frequency calculations

    Energy Technology Data Exchange (ETDEWEB)

    Meier, Patrick; Oschetzki, Dominik; Rauhut, Guntram, E-mail: rauhut@theochem.uni-stuttgart.de [Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart (Germany); Berger, Robert [Clemens-Schöpf Institut für Organische Chemie and Biochemie, Technische Universität Darmstadt, Petersenstrasse 22, 64287 Darmstadt (Germany)

    2014-05-14

    A transformation of potential energy surfaces (PES) being represented by multi-mode expansions is introduced, which allows for the calculation of anharmonic vibrational spectra of any isotopologue from a single PES. This simplifies the analysis of infrared spectra due to significant CPU-time savings. An investigation of remaining deviations due to truncations and the so-called multi-level approximation is provided. The importance of vibrational-rotational couplings for small molecules is discussed in detail. In addition, an analysis is proposed, which provides information about the quality of the transformation prior to its execution. Benchmark calculations are provided for a set of small molecules.

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

    Science.gov (United States)

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

    2014-03-05

    In this work, we first review the perturbative treatment of an oscillator with cubic anharmonicity. It is shown that there is a quantum-classical correspondence in terms of mean displacement, mean-squared displacement, and the corresponding variance in the first-order perturbation theory, provided that the amplitude of the classical oscillator is fixed at the zeroth-order energy of quantum mechanics EQM (0). This correspondence condition is realized by proposing the extended Langevin dynamics (XLD), where the key is to construct a proper driving force. It is assumed that the driving force adopts a simple harmonic form with its amplitude chosen according to EQM (0), while the driving frequency chosen as the harmonic frequency. The latter can be improved by using the natural frequency of the system in response to the potential if its anharmonicity is strong. By comparing to the accurate numeric results from discrete variable representation calculations for a set of diatomic species, it is shown that the present method is able to capture the large part of anharmonicity, being competitive with the wave function-based vibrational second-order perturbation theory, for the whole frequency range from ∼4400 cm(-1) (H2 ) to ∼160 cm(-1) (Na2 ). XLD shows a substantial improvement over the classical molecular dynamics which ceases to work for hard mode when zero-point energy effects are significant. Copyright © 2013 Wiley Periodicals, Inc.

  3. Investigation of the vibration spectrum of SbSI crystals in harmonic and in anharmonic approximations

    International Nuclear Information System (INIS)

    Audzijonis, A.; Zigas, L.; Vinokurova, I.V.; Farberovic, O.V.; Zaltauskas, R.; Cijauskas, E.; Pauliukas, A.; Kvedaravicius, A.

    2006-01-01

    The force constants of SbSI crystal have been calculated by the pseudo-potential method. The frequencies and normal coordinates of SbSI vibration modes along the c (z) direction have been determined in harmonic approximation. The potential energies of SbSI normal modes dependence on normal coordinates along the c (z) direction V(z) have been determined in anharmonic approximation, taking into account the interaction between the phonons. It has been found, that in the range of 30-120 cm -1 , the vibrational spectrum is determined by a V(z) double-well normal mode, but in the range of 120-350 cm -1 , it is determined by a V(z) single-well normal mode

  4. Polyad quantum numbers and multiple resonances in anharmonic vibrational studies of polyatomic molecules.

    Science.gov (United States)

    Krasnoshchekov, Sergey V; Stepanov, Nikolay F

    2013-11-14

    In the theory of anharmonic vibrations of a polyatomic molecule, mixing the zero-order vibrational states due to cubic, quartic and higher-order terms in the potential energy expansion leads to the appearance of more-or-less isolated blocks of states (also called polyads), connected through multiple resonances. Such polyads of states can be characterized by a common secondary integer quantum number. This polyad quantum number is defined as a linear combination of the zero-order vibrational quantum numbers, attributed to normal modes, multiplied by non-negative integer polyad coefficients, which are subject to definition for any particular molecule. According to Kellman's method [J. Chem. Phys. 93, 6630 (1990)], the corresponding formalism can be conveniently described using vector algebra. In the present work, a systematic consideration of polyad quantum numbers is given in the framework of the canonical Van Vleck perturbation theory (CVPT) and its numerical-analytic operator implementation for reducing the Hamiltonian to the quasi-diagonal form, earlier developed by the authors. It is shown that CVPT provides a convenient method for the systematic identification of essential resonances and the definition of a polyad quantum number. The method presented is generally suitable for molecules of significant size and complexity, as illustrated by several examples of molecules up to six atoms. The polyad quantum number technique is very useful for assembling comprehensive basis sets for the matrix representation of the Hamiltonian after removal of all non-resonance terms by CVPT. In addition, the classification of anharmonic energy levels according to their polyad quantum numbers provides an additional means for the interpretation of observed vibrational spectra.

  5. A study of anharmonic al and nonlinear behaviours of vibrations of atomic nuclei; Etude des comportements anharmonioques et non lineaires des vibrations des noyaux atomiques

    Energy Technology Data Exchange (ETDEWEB)

    Volpe, M.C. [Caen Univ., 14 (France)

    1997-12-31

    Double Giant Resonances, vibrational states in which a Giant Resonance is excited on top of another Giant Resonance, have been in the last years the object of many theories and studies. Whereas the measured energies and widths of these states agree with a theoretical predictions, the measured excitation cross sections on the other hand are almost always larger than the calculated ones. The standard theoretical approaches are based both on a harmonic approximation for the collective motion on the nucleus and on its linear response to an external field. In this work the influence of anharmonicities and non-linearities in the external field on the excitation of Double Giant Resonances are studied. First, an oscillator model and an extension of the Lipkin-Meshkow-Glick model are used to study the effects of anharmonicities and non-linearities on the excitation probabilities. The results show that these terms can influence the excitation probability of the second excited state in a significant way. Secondly, these exactly soluble schematic models are used to study some of the approximations made in microscopic calculations based on boson expansion methods and also some aspects on the time-dependent mean field approach. Finally, a microscopic calculation of the Coulomb excitation cross sections of Double Giant Resonances is presented for several nuclei. It is found that, for {sup 208} Pb, the inclusion of anharmonicities and non-linearities and the consideration of many states that play a role in the excitation process give a satisfactory agreement between calculated and observed cross sections. (author). 113 refs.

  6. Jacobian elliptic wave solutions in an anharmonic molecular crystal model

    International Nuclear Information System (INIS)

    Teh, C.G.R.; Lee, B.S.; Koo, W.K.

    1997-07-01

    Explicit Jacobian elliptic wave solutions are found in the anharmonic molecular crystal model for both the continuum limit and discrete modes. This class of wave solutions include the famous pulse-like and kink-like solitary modes. We would also like to report on the existence of some highly discrete staggered solitary wave modes not found in the continuum limit. (author). 9 refs, 1 fig

  7. A quantum anharmonic oscillator model for the stock market

    Science.gov (United States)

    Gao, Tingting; Chen, Yu

    2017-02-01

    A financially interpretable quantum model is proposed to study the probability distributions of the stock price return. The dynamics of a quantum particle is considered an analog of the motion of stock price. Then the probability distributions of price return can be computed from the wave functions that evolve according to Schrodinger equation. Instead of a harmonic oscillator in previous studies, a quantum anharmonic oscillator is applied to the stock in liquid market. The leptokurtic distributions of price return can be reproduced by our quantum model with the introduction of mixed-state and multi-potential. The trend following dominant market, in which the price return follows a bimodal distribution, is discussed as a specific case of the illiquid market.

  8. Transport processes and sound velocity in vibrationally non-equilibrium gas of anharmonic oscillators

    Science.gov (United States)

    Rydalevskaya, Maria A.; Voroshilova, Yulia N.

    2018-05-01

    Vibrationally non-equilibrium flows of chemically homogeneous diatomic gases are considered under the conditions that the distribution of the molecules over vibrational levels differs significantly from the Boltzmann distribution. In such flows, molecular collisions can be divided into two groups: the first group corresponds to "rapid" microscopic processes whereas the second one corresponds to "slow" microscopic processes (their rate is comparable to or larger than that of gasdynamic parameters variation). The collisions of the first group form quasi-stationary vibrationally non-equilibrium distribution functions. The model kinetic equations are used to study the transport processes under these conditions. In these equations, the BGK-type approximation is used to model only the collision operators of the first group. It allows us to simplify derivation of the transport fluxes and calculation of the kinetic coefficients. Special attention is given to the connection between the formulae for the bulk viscosity coefficient and the sound velocity square.

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

    Science.gov (United States)

    Bende, Attila; Muntean, Cristina M

    2014-03-01

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

  10. The influence of anharmonic core vibrations in the X-ray bond charge analysis of A/sup N/B/sup 8-N/ compounds

    International Nuclear Information System (INIS)

    Pietsch, U.

    1982-01-01

    X-ray structure amplitudes of elemental and A 3 B 5 semiconductors can be described by means of spherical atomic form factors and an additional scattered particle at the position of the centre of the covalent bond between next neighbours named bond charge. For this analysis anharmonic core vibrations were neglegted. In this note the influence is estimated of anharmonic core vibrations on the total structure amplitudes of some zinc-blende compounds (GaAs, ZnSe, CuBr, InSb, and CuCl)

  11. Anharmonic correlated Debye model high-order expanded interatomic effective potential and Debye-Waller factors of bcc crystals

    Energy Technology Data Exchange (ETDEWEB)

    Van Hung, Nguyen, E-mail: hungnv@vnu.edu.vn [Department of Physics, Hanoi University of Science, 334 Nguyen Trai, Thanh Xuan, Hanoi (Viet Nam); Hue, Trinh Thi [Department of Physics, Hanoi University of Science, 334 Nguyen Trai, Thanh Xuan, Hanoi (Viet Nam); Khoa, Ha Dang [School of Engineering Physics, Hanoi University of Science and Technology, 1 Dai Co Viet, Hanoi (Viet Nam); Vuong, Dinh Quoc [Quang Ninh Education & Training Department, Nguyen Van Cu, Ha Long, Quang Ninh (Viet Nam)

    2016-12-15

    High-order expanded interatomic effective potential and Debye-Waller factors (DWFs) for local vibrational amplitudes in X-ray absorption fine structure (XAFS) of bcc crystals have been studied based on the anharmonic correlated Debye model. DWFs are presented in terms of cumulant expansion up to the fourth order and the many-body effects are taken into account in the present one-dimensional model based on the first shell near neighbor contribution approach used in the derivations of the anharmonic effective potential and XAFS cumulants where Morse potential is assumed to describe the single-pair atomic interaction. Analytical expressions for the dispersion relation, correlated Debye frequency and temperature and four first temperature-dependent XAFS cumulants have been derived based on the many-body perturbation approach. Thermodynamic properties and anharmonic effects in XAFS of bcc crystals described by the obtained cumulants have been in detail discussed. The advantage and efficiency of the present theory are illustrated by good agreement of the numerical results for Mo, Fe and W with experiment.

  12. Nonlinear generalization of the quasiparticle random phase approximation for description of anharmonic effects in vibrational spectra: Application to the even Ni isotopes

    International Nuclear Information System (INIS)

    Li, C.T.; Klein, A.

    1979-01-01

    The theory of anharmonic nuclear vibrational motion (nonlinear equations-of-motion method) developed in the preceding paper is applied to atsup 60,62,64atNi, which exhibit one and two phonon quadrupole collective states. A model Hamiltonian consisting of a modified pairing plus quadrupole interaction is studied first by comparing the results of the nonlinear equations-of-motion method with those of an exact diagonalization. Contrary to popular opinion, the model chosen fails to produce a vibrational spectrum, except in the case of 60 Ni, and as a consequence, the nonlinear equations-of-motion method, designed specifically to describe vibrational spectra, accords well with the exact calculations only for this case. A simple method is then described, within the framework of the nonlinear equations-of-motion method, for refining the model Hamiltonian so as to bring it into accord with experiment. In practice, it is found that a simple additional parameter in the Hamiltonian suffices to yield descriptions of the quadrupole states in Ni isotopes comparable in precision to the most up-to-date versions (modified, adjusted, etc.) of the surface delta interaction model

  13. Nonadiabatic anharmonic electron transfer

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, P. P. [Molecular Physics Research, 6547 Kristina Ursula Court, Falls Church, Virginia 22044 (United States)

    2013-03-28

    The effect of an inner sphere, local mode vibration on an electron transfer is modeled using the nonadiabatic transition probability (rate) expression together with both the anharmonic Morse and the harmonic oscillator potential. For an anharmonic inner sphere mode, a variational analysis uses harmonic oscillator basis functions to overcome the difficulties evaluating Morse-model Franck-Condon overlap factors. Individual matrix elements are computed with the use of new, fast, robust, and flexible recurrence relations. The analysis therefore readily addresses changes in frequency and/or displacement of oscillator minimums in the different electron transfer states. Direct summation of the individual Boltzmann weighted Franck-Condon contributions avoids the limitations inherent in the use of the familiar high-temperature, Gaussian form of the rate constant. The effect of harmonic versus anharmonic inner sphere modes on the electron transfer is readily seen, especially in the exoergic, inverted region. The behavior of the transition probability can also be displayed as a surface for all temperatures and values of the driving force/exoergicity {Delta}=-{Delta}G. The temperature insensitivity of the transfer rate is clearly seen when the exoergicity equals the collective reorganization energy ({Delta}={Lambda}{sub s}) along a maximum ln (w) vs. {Delta} ridge of the surface. The surface also reveals additional regions for {Delta} where ln (w) appears to be insensitive to temperature, or effectively activationless, for some kinds of inner sphere contributions.

  14. Systematic studies of molecular vibrational anharmonicity and vibration-rotation interaction by self-consistent-field higher derivative methods: Applications to asymmetric and symmetric top and linear polyatomic molecules

    Energy Technology Data Exchange (ETDEWEB)

    Clabo, D.A. Jr.

    1987-04-01

    Inclusion of the anharmonicity normal mode vibrations (i.e., the third and fourth (and higher) derivatives of a molecular Born-Oppenheimer potential energy surface) is necessary in order to theoretically reproduce experimental fundamental vibrational frequencies of a molecule. Although ab initio determinations of harmonic vibrational frequencies may give errors of only a few percent by the inclusion of electron correlation within a large basis set for small molecules, in general, molecular fundamental vibrational frequencies are more often available from high resolution vibration-rotation spectra. Recently developed analytic third derivatives methods for self-consistent-field (SCF) wavefunctions have made it possible to examine with previously unavailable accuracy and computational efficiency the anharmonic force fields of small molecules.

  15. Systematic studies of molecular vibrational anharmonicity and vibration-rotation interaction by self-consistent-field higher derivative methods: Applications to asymmetric and symmetric top and linear polyatomic molecules

    International Nuclear Information System (INIS)

    Clabo, D.A. Jr.

    1987-04-01

    Inclusion of the anharmonicity normal mode vibrations [i.e., the third and fourth (and higher) derivatives of a molecular Born-Oppenheimer potential energy surface] is necessary in order to theoretically reproduce experimental fundamental vibrational frequencies of a molecule. Although ab initio determinations of harmonic vibrational frequencies may give errors of only a few percent by the inclusion of electron correlation within a large basis set for small molecules, in general, molecular fundamental vibrational frequencies are more often available from high resolution vibration-rotation spectra. Recently developed analytic third derivatives methods for self-consistent-field (SCF) wavefunctions have made it possible to examine with previously unavailable accuracy and computational efficiency the anharmonic force fields of small molecules

  16. High-pressure phase diagram of hydrogen and deuterium sulfides from first principles: Structural and vibrational properties including quantum and anharmonic effects

    Science.gov (United States)

    Bianco, Raffaello; Errea, Ion; Calandra, Matteo; Mauri, Francesco

    2018-06-01

    We study the structural and vibrational properties of the high-temperature superconducting sulfur trihydride and trideuteride in the high-pressure I m 3 ¯m and R 3 m phases by first-principles density-functional-theory calculations. On lowering pressure, the rhombohedral transition I m 3 ¯m →R 3 m is expected, with hydrogen-bond desymmetrization and occurrence of trigonal lattice distortion. With both Perdew-Burke-Ernzerhof (PBE) and Becke-Lee-Yang-Parr (BLYP) exchange-correlation functional, in hydrostatic conditions we find that, contrary to what is suggested in some recent experiments, if the rhombohedral distortion exists it affects mainly the hydrogen bonds, whereas the resulting cell distortion is minimal. We estimate that the occurrence of a stress anisotropy of approximately 10 % could explain this discrepancy. Assuming hydrostatic conditions, we calculate the critical pressure at which the rhombohedral transition occurs. Quantum and anharmonic effects, which are relevant in this system, are included at nonperturbative level with the stochastic self-consistent harmonic approximation. Within this approach, we determine the transition pressure by calculating the free-energy Hessian, a method that allows to estimate the critical pressure with much higher precision (and much lower computational cost) compared with the free-energy "finite-difference" approach previously used. Using PBE and BLYP, we find that quantum anharmonic effects are responsible for a strong reduction of the critical pressure with respect to the one obtained with the classical harmonic approach. Interestingly, for the two functionals, even if the transition pressures at classical harmonic level differ by 83 GPa, the transition pressures including quantum anharmonic effects differ only by 23 GPa. Moreover, we observe a prominent isotope effect, as we estimate higher transition pressure for D3S than for H3S . Finally, within the stochastic self-consistent harmonic approximation, with PBE

  17. Implementation of ternary Shor’s algorithm based on vibrational states of an ion in anharmonic potential

    Science.gov (United States)

    Liu, Wei; Chen, Shu-Ming; Zhang, Jian; Wu, Chun-Wang; Wu, Wei; Chen, Ping-Xing

    2015-03-01

    It is widely believed that Shor’s factoring algorithm provides a driving force to boost the quantum computing research. However, a serious obstacle to its binary implementation is the large number of quantum gates. Non-binary quantum computing is an efficient way to reduce the required number of elemental gates. Here, we propose optimization schemes for Shor’s algorithm implementation and take a ternary version for factorizing 21 as an example. The optimized factorization is achieved by a two-qutrit quantum circuit, which consists of only two single qutrit gates and one ternary controlled-NOT gate. This two-qutrit quantum circuit is then encoded into the nine lower vibrational states of an ion trapped in a weakly anharmonic potential. Optimal control theory (OCT) is employed to derive the manipulation electric field for transferring the encoded states. The ternary Shor’s algorithm can be implemented in one single step. Numerical simulation results show that the accuracy of the state transformations is about 0.9919. Project supported by the National Natural Science Foundation of China (Grant No. 61205108) and the High Performance Computing (HPC) Foundation of National University of Defense Technology, China.

  18. Internal molecular dynamics of LaI3. I. Potential energy function of vibrational modes in harmonic and anharmonic approximations

    International Nuclear Information System (INIS)

    Giricheva, N.I.; Girichev, G.V.; Smorodin, S.V.

    2007-01-01

    Scanning of potential energy surface in the LaI 3 molecule along normal coordinates are realized using the B3LYP/SDD,SDD method. The most anharmonicity is shown to have a potential function of non-planar oscillation ν 2 (A 2 ''). Effect of anharmonicity on the value of mean-square oscillation amplitudes and oscillation spectrum of the molecule is established. It is noted that the account of anharmonicity of potential functions leads to decreasing mean-square oscillation amplitudes [ru

  19. Vibrational spectra of methyllithium and its aggregates: a new interpretation from ab initio anharmonic calculations

    International Nuclear Information System (INIS)

    Gohaud, Neil; Begue, Didier; Pouchan, Claude

    2005-01-01

    The complete quartic force field of methyllithium (CH 3 Li) is computed at the B3LYP/cc-pVTZ level of theory. The vibrational energy levels calculated from a perturbational and a variational procedure are in agreement with the observed spectra except for the C-Li stretching and the symmetric methyl deformation modes for which a disagreement with the experimental assignment given by Andrews is apparent. This discrepancy between experiment and theory is so large that questions are raised either about a correct characterization of, or correct calculations for the monomeric species CH 3 Li. Our theoretical study of methyllithium aggregates (CH 3 Li) n , with n = 2, 3, 4 and 6, gives a new interpretation of the experimental data

  20. Large time asymptotics of solutions to the anharmonic oscillator model from nonlinear optics

    OpenAIRE

    Jochmann, Frank

    2005-01-01

    The anharmonic oscillator model describing the propagation of electromagnetic waves in an exterior domain containing a nonlinear dielectric medium is investigated. The system under consideration consists of a generally nonlinear second order differential equation for the dielectrical polarization coupled with Maxwell's equations for the electromagnetic field. Local decay of the electromagnetic field for t to infinity in the charge free case is shown for a large class of potentials. (This pape...

  1. Anharmonic phonon-phonon scattering modeling of three-dimensional atomistic transport: An efficient quantum treatment

    Science.gov (United States)

    Lee, Y.; Bescond, M.; Logoteta, D.; Cavassilas, N.; Lannoo, M.; Luisier, M.

    2018-05-01

    We propose an efficient method to quantum mechanically treat anharmonic interactions in the atomistic nonequilibrium Green's function simulation of phonon transport. We demonstrate that the so-called lowest-order approximation, implemented through a rescaling technique and analytically continued by means of the Padé approximants, can be used to accurately model third-order anharmonic effects. Although the paper focuses on a specific self-energy, the method is applicable to a very wide class of physical interactions. We apply this approach to the simulation of anharmonic phonon transport in realistic Si and Ge nanowires with uniform or discontinuous cross sections. The effect of increasing the temperature above 300 K is also investigated. In all the considered cases, we are able to obtain a good agreement with the routinely adopted self-consistent Born approximation, at a remarkably lower computational cost. In the more complicated case of high temperatures (≫300 K), we find that the first-order Richardson extrapolation applied to the sequence of the Padé approximants N -1 /N results in a significant acceleration of the convergence.

  2. Microscopic approach to nuclear anharmonicities

    International Nuclear Information System (INIS)

    Matsuo, Masayuki; Shimizu, Yoshifumi; Matsuyanagi, Kenichi

    1985-01-01

    Present status of microscopic study of nuclear anharmonicity phenomena is reviewed from the viewpoint of the time-dependent Hartree-Bogoliubov approach. Both classical- and quantum-mechanical aspects of this approach are discussed. The Bohr-Mottelson-type collective Hamiltonian for anharmonic gamma vibrations is microscopically derived by means of the self-consistent-collective-coordinate method, and applied to the problem of two-phonon states of 168 Er. (orig.)

  3. Anharmonicity in nuclear wobbling motion

    International Nuclear Information System (INIS)

    Oi, M.

    2007-01-01

    An unexpected strong anharmonicity was observed in the wobbling spectrum in 163 Lu. In an attempt to understand what causes the deviation from the original wobbling model by Bohr and Mottelson, an analysis is presented using several different approaches, such as exact diagonalization, a semiclassical model to deal with anharmonic wobbling motion, and a microscopic method based on the self-consistent cranking calculation

  4. Frequency and zero-point vibrational energy scale factors for double-hybrid density functionals (and other selected methods): can anharmonic force fields be avoided?

    Science.gov (United States)

    Kesharwani, Manoj K; Brauer, Brina; Martin, Jan M L

    2015-03-05

    We have obtained uniform frequency scaling factors λ(harm) (for harmonic frequencies), λ(fund) (for fundamentals), and λ(ZPVE) (for zero-point vibrational energies (ZPVEs)) for the Weigend-Ahlrichs and other selected basis sets for MP2, SCS-MP2, and a variety of DFT functionals including double hybrids. For selected levels of theory, we have also obtained scaling factors for true anharmonic fundamentals and ZPVEs obtained from quartic force fields. For harmonic frequencies, the double hybrids B2PLYP, B2GP-PLYP, and DSD-PBEP86 clearly yield the best performance at RMSD = 10-12 cm(-1) for def2-TZVP and larger basis sets, compared to 5 cm(-1) at the CCSD(T) basis set limit. For ZPVEs, again, the double hybrids are the best performers, reaching root-mean-square deviations (RMSDs) as low as 0.05 kcal/mol, but even mainstream functionals like B3LYP can get down to 0.10 kcal/mol. Explicitly anharmonic ZPVEs only are marginally more accurate. For fundamentals, however, simple uniform scaling is clearly inadequate.

  5. Ab initio anharmonic vibrational frequency predictions for linear proton-bound complexes OC-H(+)-CO and N(2)-H(+)-N(2).

    Science.gov (United States)

    Terrill, Kasia; Nesbitt, David J

    2010-08-01

    Ab initio anharmonic transition frequencies are calculated for strongly coupled (i) asymmetric and (ii) symmetric proton stretching modes in the X-H(+)-X linear ionic hydrogen bonded complexes for OCHCO(+) and N(2)HN(2)(+). The optimized potential surface is calculated in these two coordinates for each molecular ion at CCSD(T)/aug-cc-pVnZ (n = 2-4) levels and extrapolated to the complete-basis-set limit (CBS). Slices through both 2D surfaces reveal a relatively soft potential in the asymmetric proton stretching coordinate at near equilibrium geometries, which rapidly becomes a double minimum potential with increasing symmetric proton acceptor center of mass separation. Eigenvalues are obtained by solution of the 2D Schrödinger equation with potential/kinetic energy coupling explicity taken into account, converged in a distributed Gaussian basis set as a function of grid density. The asymmetric proton stretch fundamental frequency for N(2)HN(2)(+) is predicted at 848 cm(-1), with strong negative anharmonicity in the progression characteristic of a shallow "particle in a box" potential. The corresponding proton stretch fundamental for OCHCO(+) is anomalously low at 386 cm(-1), but with a strong alternation in the vibrational spacing due to the presence of a shallow D(infinityh) transition state barrier (Delta = 398 cm(-1)) between the two equivalent minimum geometries. Calculation of a 2D dipole moment surface and transition matrix elements reveals surprisingly strong combination and difference bands with appreciable intensity throughout the 300-1500 cm(-1) region. Corrected for zero point (DeltaZPE) and thermal vibrational excitation (DeltaE(vib)) at 300 K, the single and double dissociation energies in these complexes are in excellent agreement with thermochemical gas phase ion data.

  6. Inelastic neutron scattering, Raman, vibrational analysis with anharmonic corrections, and scaled quantum mechanical force field for polycrystalline L-alanine

    Energy Technology Data Exchange (ETDEWEB)

    Williams, Robert W. [Department of Biomedical Informatics, Uniformed Services University, 4301 Jones Bridge Road, Bethesda, MD 20815 (United States)], E-mail: bob@bob.usuhs.mil; Schluecker, Sebastian [Institute of Physical Chemistry, University of Wuerzburg, Wuerzburg (Germany); Hudson, Bruce S. [Department of Chemistry, Syracuse University, Syracuse, NY (United States)

    2008-01-22

    A scaled quantum mechanical harmonic force field (SQMFF) corrected for anharmonicity is obtained for the 23 K L-alanine crystal structure using van der Waals corrected periodic boundary condition density functional theory (DFT) calculations with the PBE functional. Scale factors are obtained with comparisons to inelastic neutron scattering (INS), Raman, and FT-IR spectra of polycrystalline L-alanine at 15-23 K. Calculated frequencies for all 153 normal modes differ from observed frequencies with a standard deviation of 6 wavenumbers. Non-bonded external k = 0 lattice modes are included, but assignments to these modes are presently ambiguous. The extension of SQMFF methodology to lattice modes is new, as are the procedures used here for providing corrections for anharmonicity and van der Waals interactions in DFT calculations on crystals. First principles Born-Oppenheimer molecular dynamics (BOMD) calculations are performed on the L-alanine crystal structure at a series of classical temperatures ranging from 23 K to 600 K. Corrections for zero-point energy (ZPE) are estimated by finding the classical temperature that reproduces the mean square displacements (MSDs) measured from the diffraction data at 23 K. External k = 0 lattice motions are weakly coupled to bonded internal modes.

  7. Inelastic neutron scattering, Raman, vibrational analysis with anharmonic corrections, and scaled quantum mechanical force field for polycrystalline L-alanine

    International Nuclear Information System (INIS)

    Williams, Robert W.; Schluecker, Sebastian; Hudson, Bruce S.

    2008-01-01

    A scaled quantum mechanical harmonic force field (SQMFF) corrected for anharmonicity is obtained for the 23 K L-alanine crystal structure using van der Waals corrected periodic boundary condition density functional theory (DFT) calculations with the PBE functional. Scale factors are obtained with comparisons to inelastic neutron scattering (INS), Raman, and FT-IR spectra of polycrystalline L-alanine at 15-23 K. Calculated frequencies for all 153 normal modes differ from observed frequencies with a standard deviation of 6 wavenumbers. Non-bonded external k = 0 lattice modes are included, but assignments to these modes are presently ambiguous. The extension of SQMFF methodology to lattice modes is new, as are the procedures used here for providing corrections for anharmonicity and van der Waals interactions in DFT calculations on crystals. First principles Born-Oppenheimer molecular dynamics (BOMD) calculations are performed on the L-alanine crystal structure at a series of classical temperatures ranging from 23 K to 600 K. Corrections for zero-point energy (ZPE) are estimated by finding the classical temperature that reproduces the mean square displacements (MSDs) measured from the diffraction data at 23 K. External k = 0 lattice motions are weakly coupled to bonded internal modes

  8. Kinematic anharmonicity of internal rotation of molecules

    International Nuclear Information System (INIS)

    Bataev, V.A.; Pupyshev, V.I.; Godunov, I.A.

    2017-01-01

    The methods of analysis the strongly coupled vibrations are proposed for a number of molecules of aromatic and heterocyclic carbonyl (and some others) compounds. The qualitative principles are formulated for molecular systems with a significant kinematic anharmonicity.

  9. Maximally resolved anharmonic OH vibrational spectrum of the water/ZnO(101 \\xAF 0) interface from a high-dimensional neural network potential

    Science.gov (United States)

    Quaranta, Vanessa; Hellström, Matti; Behler, Jörg; Kullgren, Jolla; Mitev, Pavlin D.; Hermansson, Kersti

    2018-06-01

    Unraveling the atomistic details of solid/liquid interfaces, e.g., by means of vibrational spectroscopy, is of vital importance in numerous applications, from electrochemistry to heterogeneous catalysis. Water-oxide interfaces represent a formidable challenge because a large variety of molecular and dissociated water species are present at the surface. Here, we present a comprehensive theoretical analysis of the anharmonic OH stretching vibrations at the water/ZnO(101 ¯ 0) interface as a prototypical case. Molecular dynamics simulations employing a reactive high-dimensional neural network potential based on density functional theory calculations have been used to sample the interfacial structures. In the second step, one-dimensional potential energy curves have been generated for a large number of configurations to solve the nuclear Schrödinger equation. We find that (i) the ZnO surface gives rise to OH frequency shifts up to a distance of about 4 Å from the surface; (ii) the spectrum contains a number of overlapping signals arising from different chemical species, with the frequencies decreasing in the order ν(adsorbed hydroxide) > ν(non-adsorbed water) > ν(surface hydroxide) > ν(adsorbed water); (iii) stretching frequencies are strongly influenced by the hydrogen bond pattern of these interfacial species. Finally, we have been able to identify substantial correlations between the stretching frequencies and hydrogen bond lengths for all species.

  10. Anharmonic 1D actuator model including electrostatic and Casimir forces with fractional damping perturbed by an external force

    Science.gov (United States)

    Mansoori Kermani, Maryam; Dehestani, Maryam

    2018-06-01

    We modeled a one-dimensional actuator including the Casimir and electrostatic forces perturbed by an external force with fractional damping. The movable electrode was assumed to oscillate by an anharmonic elastic force originated from Murrell-Mottram or Lippincott potential. The nonlinear equations have been solved via the Adomian decomposition method. The behavior of the displacement of the electrode from equilibrium position, its velocity and acceleration were described versus time. Also, the changes of the displacement have been investigated according to the frequency of the external force and the voltage of the electrostatic force. The convergence of the Adomian method and the effect of the orders of expansion on the displacement versus time, frequency, and voltage were discussed. The pull-in parameter was obtained and compared with the other models in the literature. This parameter was described versus the equilibrium position and anharmonicity constant.

  11. Anharmonic 1D actuator model including electrostatic and Casimir forces with fractional damping perturbed by an external force

    Science.gov (United States)

    Mansoori Kermani, Maryam; Dehestani, Maryam

    2018-03-01

    We modeled a one-dimensional actuator including the Casimir and electrostatic forces perturbed by an external force with fractional damping. The movable electrode was assumed to oscillate by an anharmonic elastic force originated from Murrell-Mottram or Lippincott potential. The nonlinear equations have been solved via the Adomian decomposition method. The behavior of the displacement of the electrode from equilibrium position, its velocity and acceleration were described versus time. Also, the changes of the displacement have been investigated according to the frequency of the external force and the voltage of the electrostatic force. The convergence of the Adomian method and the effect of the orders of expansion on the displacement versus time, frequency, and voltage were discussed. The pull-in parameter was obtained and compared with the other models in the literature. This parameter was described versus the equilibrium position and anharmonicity constant.

  12. Adaptive vibrational configuration interaction (A-VCI): A posteriori error estimation to efficiently compute anharmonic IR spectra

    Science.gov (United States)

    Garnier, Romain; Odunlami, Marc; Le Bris, Vincent; Bégué, Didier; Baraille, Isabelle; Coulaud, Olivier

    2016-05-01

    A new variational algorithm called adaptive vibrational configuration interaction (A-VCI) intended for the resolution of the vibrational Schrödinger equation was developed. The main advantage of this approach is to efficiently reduce the dimension of the active space generated into the configuration interaction (CI) process. Here, we assume that the Hamiltonian writes as a sum of products of operators. This adaptive algorithm was developed with the use of three correlated conditions, i.e., a suitable starting space, a criterion for convergence, and a procedure to expand the approximate space. The velocity of the algorithm was increased with the use of a posteriori error estimator (residue) to select the most relevant direction to increase the space. Two examples have been selected for benchmark. In the case of H2CO, we mainly study the performance of A-VCI algorithm: comparison with the variation-perturbation method, choice of the initial space, and residual contributions. For CH3CN, we compare the A-VCI results with a computed reference spectrum using the same potential energy surface and for an active space reduced by about 90%.

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

    Science.gov (United States)

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

    2007-06-14

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

  14. Anharmonicity and hydrogen bonding in electrooptic sucrose crystal

    Science.gov (United States)

    Szostak, M. M.; Giermańska, J.

    1990-03-01

    The polarized absorption spectra of the sucrose crystal in the 5300 - 7300 cm -1 region have been measured. The assignments of all the eight OH stretching overtones are proposed and their mechanical anharmonicities are estimated. The discrepancies from the oriented gas model (OGM) in the observed relative band intensities, especially of the -CH vibrations, are assumed to be connected with vibronic couplings enhanced by the helical arrangement of molecules joined by hydrogen bondings. It seems that this kind of interactions might be important for the second harmonic generation (SHG) by the sucrose crystal.

  15. Pressure dependence of the elastic constants and vibrational anharmonicity of Pd sub 3 sub 9 Ni sub 1 sub 0 Cu sub 3 sub 0 P sub 2 sub 1 bulk metallic glass

    CERN Document Server

    Wang Li; Sun, L L; Wang, W H; Wang, W K

    2003-01-01

    The pressure dependence of the acoustic velocities of a Pd sub 3 sub 9 Ni sub 1 sub 0 Cu sub 3 sub 0 P sub 2 sub 1 bulk metallic glass have been investigated up to 0.5 GPa at room temperature with the pulse echo overlap method. Two independent second-order elastic coefficients C sub 1 sub 1 and C sub 4 sub 4 and their pressure derivatives are yielded. The vibrational anharmonicity is shown by calculating both the acoustic mode Grueneisen parameters in the long-wavelength limit and the thermal Grueneisen parameter, and this result is compared with that for the Pd sub 4 sub 0 Ni sub 4 sub 0 P sub 2 sub 0 bulk glass.

  16. Low-temperature anharmonicity in cesium chloride (CsCl)

    Energy Technology Data Exchange (ETDEWEB)

    Sist, Mattia; Faerch Fischer, Karl Frederik; Brummerstedt Iversen, Bo [Center for Materials Crystallography, Department of Chemistry and iNANO, Aarhus University (Denmark); Kasai, Hidetaka [Center for Materials Crystallography, Department of Chemistry and iNANO, Aarhus University (Denmark); Faculty of Pure and Applied Sciences, TIMS and CiRfSE, University of Tsukuba (Japan)

    2017-03-20

    Anharmonic lattice vibrations govern heat transfer in materials, and anharmonicity is commonly assumed to be dominant at high temperature. The textbook cubic ionic defect-free crystal CsCl is shown to have an unexplained low thermal conductivity at room temperature (ca. 1 W/(m K)), which increases to around 13 W/(m K) at 25 K. Through high-resolution X-ray diffraction it is unexpectedly shown that the Cs atomic displacement parameter becomes anharmonic at 20 K. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Novel interpolative perturbation theory for quantum anharmonic oscillators in one and three dimensions and the ground state of a lattice model of the phi4 field theory

    International Nuclear Information System (INIS)

    Ginsburg, C.A.

    1977-01-01

    A new method for approximating the eigenfunctions and eigenvalues of anharmonic oscillators. An attempt was made to develop an analytic method which provides simple formulae for all values of the parameters as the W.K.B. approximation and perturbation theory do for certain limiting case, and which has the convergence properties associated with the computer methods. The procedure is based upon combining knowledge of the asymptotic behavior of the wave function for large and small values of the coordinate(s) to obtain approximations valid for all values of coordinate(s) and all strengths of the anharmonicity. A systematic procedure for improving these approximations is developed. Finally the groundstate of a lattice model of the phi 4 field theory which consists of an infinite number of coupled anharmonic oscillators. A first order calculation yields a covariant expression for the groundstate eigenvalue with the physical mass, m, given by a characteristic polynomial which involves the bare mass, μ, the lattice spacing, l, and the coupling constant, lambda. For l > 0, μ can be adjusted (a mass renormalization) 0 < m < infinity. As l → 0 lambda (l) (a charge renormalization) is adjusted so that lambda/sup 1/3//l → eta, a constant, as l → 0. Then eta can be chosen so that m can take any experimental value

  18. Anharmonic oscillator and Bogoliubov transformation

    International Nuclear Information System (INIS)

    Pattnayak, G.C.; Torasia, S.; Rath, B.

    1990-01-01

    The anharmonic oscillator occupies a cornerstone in many problems in physics. It was observed that none of the authors have tested Bogoliubov transformation to study anharmonic oscillator. The groundstate energy of the anharmonic oscillator is studied using Bogoliubov transformation and the results presented. (author)

  19. Phonon density of states and anharmonicity of UO2

    Science.gov (United States)

    Pang, Judy W. L.; Chernatynskiy, Aleksandr; Larson, Bennett C.; Buyers, William J. L.; Abernathy, Douglas L.; McClellan, Kenneth J.; Phillpot, Simon R.

    2014-03-01

    Phonon density of states (PDOS) measurements have been performed on polycrystalline UO2 at 295 and 1200 K using time-of-flight inelastic neutron scattering to investigate the impact of anharmonicity on the vibrational spectra and to benchmark ab initio PDOS simulations performed on this strongly correlated Mott insulator. Time-of-flight PDOS measurements include anharmonic linewidth broadening, inherently, and the factor of ˜7 enhancement of the oxygen spectrum relative to the uranium component by the increased neutron sensitivity to the oxygen-dominated optical phonon modes. The first-principles simulations of quasiharmonic PDOS spectra were neutron weighted and anharmonicity was introduced in an approximate way by convolution with wave-vector-weighted averages over our previously measured phonon linewidths for UO2, which are provided in numerical form. Comparisons between the PDOS measurements and the simulations show reasonable agreement overall, but they also reveal important areas of disagreement for both high and low temperatures. The discrepancies stem largely from a ˜10 meV compression in the overall bandwidth (energy range) of the oxygen-dominated optical phonons in the simulations. A similar linewidth-convoluted comparison performed with the PDOS spectrum of Dolling et al. obtained by shell-model fitting to their historical phonon dispersion measurements shows excellent agreement with the time-of-flight PDOS measurements reported here. In contrast, we show by comparisons of spectra in linewidth-convoluted form that recent first-principles simulations for UO2 fail to account for the PDOS spectrum determined from the measurements of Dolling et al. These results demonstrate PDOS measurements to be stringent tests for ab inito simulations of phonon physics in UO2 and they indicate further the need for advances in theory to address the lattice dynamics of UO2.

  20. E x circle epsilon Jahn-Teller anharmonic coupling for an octahedral system

    CERN Document Server

    Avram, N M; Kibler, M R

    2001-01-01

    The coupling between doubly degenerate electronic states and doubly degenerate vibrations is analyzed for an octahedral system on the basis of the introduction of an anharmonic Morse potential for the vibronic part. The vibrations are described by anharmonic coherent states and their linear coupling with the electronic states is considered. The matrix elements of the vibronic interaction are built and the energy levels corresponding to the interaction Hamiltonian are derived.

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

    Science.gov (United States)

    Mauri, Francesco

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

  2. Nonlinear network model analysis of vibrational energy transfer and localisation in the Fenna-Matthews-Olson complex

    Science.gov (United States)

    Morgan, Sarah E.; Cole, Daniel J.; Chin, Alex W.

    2016-11-01

    Collective protein modes are expected to be important for facilitating energy transfer in the Fenna-Matthews-Olson (FMO) complex of photosynthetic green sulphur bacteria, however to date little work has focussed on the microscopic details of these vibrations. The nonlinear network model (NNM) provides a computationally inexpensive approach to studying vibrational modes at the microscopic level in large protein structures, whilst incorporating anharmonicity in the inter-residue interactions which can influence protein dynamics. We apply the NNM to the entire trimeric FMO complex and find evidence for the existence of nonlinear discrete breather modes. These modes tend to transfer energy to the highly connected core pigments, potentially opening up alternative excitation energy transfer routes through their influence on pigment properties. Incorporating localised modes based on these discrete breathers in the optical spectra calculations for FMO using ab initio site energies and excitonic couplings can substantially improve their agreement with experimental results.

  3. Nonlinear (Anharmonic Casimir Oscillator

    Directory of Open Access Journals (Sweden)

    Habibollah Razmi

    2011-01-01

    Full Text Available We want to study the dynamics of a simple linear harmonic micro spring which is under the influence of the quantum Casimir force/pressure and thus behaves as a (an nonlinear (anharmonic Casimir oscillator. Generally, the equation of motion of this nonlinear micromechanical Casimir oscillator has no exact solvable (analytical solution and the turning point(s of the system has (have no fixed position(s; however, for particular values of the stiffness of the micro spring and at appropriately well-chosen distance scales and conditions, there is (are approximately sinusoidal solution(s for the problem (the variable turning points are collected in a very small interval of positions. This, as a simple and elementary plan, may be useful in controlling the Casimir stiction problem in micromechanical devices.

  4. Model Predictive Vibration Control Efficient Constrained MPC Vibration Control for Lightly Damped Mechanical Structures

    CERN Document Server

    Takács, Gergely

    2012-01-01

    Real-time model predictive controller (MPC) implementation in active vibration control (AVC) is often rendered difficult by fast sampling speeds and extensive actuator-deformation asymmetry. If the control of lightly damped mechanical structures is assumed, the region of attraction containing the set of allowable initial conditions requires a large prediction horizon, making the already computationally demanding on-line process even more complex. Model Predictive Vibration Control provides insight into the predictive control of lightly damped vibrating structures by exploring computationally efficient algorithms which are capable of low frequency vibration control with guaranteed stability and constraint feasibility. In addition to a theoretical primer on active vibration damping and model predictive control, Model Predictive Vibration Control provides a guide through the necessary steps in understanding the founding ideas of predictive control applied in AVC such as: ·         the implementation of ...

  5. Lattice Vibrations in Chlorobenzenes:

    DEFF Research Database (Denmark)

    Reynolds, P. A.; Kjems, Jørgen; White, J. W.

    1974-01-01

    Lattice vibrational dispersion curves for the ``intermolecular'' modes in the triclinic, one molecule per unit cell β phase of p‐C6D4Cl2 and p‐C6H4Cl2 have been obtained by inelastic neutron scattering. The deuterated sample was investigated at 295 and at 90°K and a linear extrapolation to 0°K...... was applied in order to correct for anharmonic effects. Calculations based on the atom‐atom model for van der Waals' interaction and on general potential parameters for the aromatic compounds agree reasonably well with the experimental observations. There is no substantial improvement in fit obtained either...

  6. Resolving the Origins of Crystalline Anharmonicity Using Terahertz Time-Domain Spectroscopy and ab Initio Simulations.

    Science.gov (United States)

    Ruggiero, Michael T; Zeitler, J Axel

    2016-11-17

    Anharmonicity has been shown to be an important piece of the fundamental framework that dictates numerous observable phenomena. In particular, anharmonicity is the driving force of vibrational relaxation processes, mechanisms that are integral to the proper function of numerous chemical processes. However, elucidating its origins has proven difficult due to experimental and theoretical challenges, specifically related to separating the anharmonic contributions from other unrelated effects. While no one technique is particularly suited for providing a complete picture of anharmonicity, by combining multiple complementary methods such a characterization can be made. In this study the role of individual atomic interactions on the anharmonic properties of crystalline purine, the building block of many DNA and RNA nucleobases, is studied by experimental terahertz time-domain spectroscopy and first-principles density functional theory (DFT) and ab initio molecular dynamics simulations (AIMD). In particular, the detailed vibrational information provided by the DFT calculations is used to interpret the atomic origins of anharmonic-related effects as determined by the AIMD calculations, which are in good agreement with the experimental data. The results highlight that anharmonicity is especially pronounced in the intermolecular interactions, particularly along the amine hydrogen bond coordinate, and yields valuable insight into what is similarly observed complex biosystems and crystalline solids.

  7. Vibration mode and vibration shape under excitation of a three phase model transformer core

    Science.gov (United States)

    Okabe, Seiji; Ishigaki, Yusuke; Omura, Takeshi

    2018-04-01

    Structural vibration characteristics and vibration shapes under three-phase excitation of a archetype transformer core were investigated to consider their influences on transformer noise. Acoustic noise and vibration behavior were measured in a three-limb model transformer core. Experimental modal analysis by impact test was performed. The vibration shapes were measured by a laser scanning vibrometer at different exciting frequencies. Vibration amplitude of the core in out-of-plane direction were relatively larger than those in other two in-plane directions. It was consistent with the result that the frequency response function of the core in out-of-plane direction was larger by about 20 dB or more than those in in-plane directions. There were many vibration modes having bending deformation of limbs in out-of-plane direction. The vibration shapes of the core when excited at 50 Hz and 60 Hz were almost the same because the fundamental frequencies of the vibration were not close to the resonance frequencies. When excitation frequency was 69 Hz which was half of one of the resonance frequencies, the vibration shape changed to the one similar to the resonance vibration mode. Existence of many vibration modes in out-of-plane direction of the core was presumed to be a reason why frequency characteristics of magnetostriction and transformer noise do not coincide.

  8. Accurate Anharmonic Zero-Point Energies for Some Combustion-Related Species from Diffusion Monte Carlo.

    Science.gov (United States)

    Harding, Lawrence B; Georgievskii, Yuri; Klippenstein, Stephen J

    2017-06-08

    Full-dimensional analytic potential energy surfaces based on CCSD(T)/cc-pVTZ calculations have been determined for 48 small combustion-related molecules. The analytic surfaces have been used in Diffusion Monte Carlo calculations of the anharmonic zero-point energies. The resulting anharmonicity corrections are compared to vibrational perturbation theory results based both on the same level of electronic structure theory and on lower-level electronic structure methods (B3LYP and MP2).

  9. Nuclear surface vibrations in bag models

    International Nuclear Information System (INIS)

    Tomio, L.

    1984-01-01

    The main difficulties found in the hadron bag models are reviewed from the original version of the MIT bag model. Following, with the aim to answer two of the main difficulties in bag models, viz., the parity and the divergence illness, a dynamical model is presented. In the model, the confinement surface of the quarks (bag) is treated like a real physical object which interacts with the quarks and is exposed to vibrations. The model is applied to the nucleon, being observed that his spectrum, in the first excited levels, can be reproduced with resonable precision and obeying to the correct parity order. In the same way that in a similar work of Brown et al., it is observed to be instrumental the inclusion of the effect due to pions. (L.C.) [pt

  10. DYNAMIC MODELLING OF VIBRATIONS ASSISTED DRILLING

    Directory of Open Access Journals (Sweden)

    Mathieu LADONNE

    2015-05-01

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

  11. Detecting anharmonicity at a glance

    International Nuclear Information System (INIS)

    Giliberti, M; Stellato, M; Barbieri, S; Cavinato, M; Rigon, E; Tamborini, M

    2014-01-01

    Harmonic motion is generally presented in such a way that most of the students believe that the small oscillations of a body are all harmonic. Since the situation is not actually so simple, and since the comprehension of harmonic motion is essential in many physical contexts, we present here some suggestions, addressed to undergraduate students and pre-service teachers, that allow one to find out at a glance the anharmonicity of a motion. Starting from a didactically motivated definition of harmonic motion, and stressing the importance of the interplay between mathematics and experiments, we give a four-point criterion for anharmonicity together with some emblematic examples. The role of linear damping is also analysed in relation to the gradual changing of harmonicity into anharmonicity when the ratio between the damping coefficient and the zero-friction angular frequency increases. (paper)

  12. Two-dimensional infrared spectroscopy of vibrational polaritons.

    Science.gov (United States)

    Xiang, Bo; Ribeiro, Raphael F; Dunkelberger, Adam D; Wang, Jiaxi; Li, Yingmin; Simpkins, Blake S; Owrutsky, Jeffrey C; Yuen-Zhou, Joel; Xiong, Wei

    2018-04-19

    We report experimental 2D infrared (2D IR) spectra of coherent light-matter excitations--molecular vibrational polaritons. The application of advanced 2D IR spectroscopy to vibrational polaritons challenges and advances our understanding in both fields. First, the 2D IR spectra of polaritons differ drastically from free uncoupled excitations and a new interpretation is needed. Second, 2D IR uniquely resolves excitation of hybrid light-matter polaritons and unexpected dark states in a state-selective manner, revealing otherwise hidden interactions between them. Moreover, 2D IR signals highlight the impact of molecular anharmonicities which are applicable to virtually all molecular systems. A quantum-mechanical model is developed which incorporates both nuclear and electrical anharmonicities and provides the basis for interpreting this class of 2D IR spectra. This work lays the foundation for investigating phenomena of nonlinear photonics and chemistry of molecular vibrational polaritons which cannot be probed with traditional linear spectroscopy.

  13. Quantum algebraic description of vibrational and transitional nuclear spectra

    International Nuclear Information System (INIS)

    Raychev, P.P.; Roussev, R.P.; Inrne, D.

    1995-01-01

    A physically motivated extension of the SU q (2) model of rotational nuclear spectra is introduced, which is applicable in the vibrational and transitional regions as well. The deformation parameter is related to the centrifugal stretching effect, while the new parameter c allows the spectrum to be an expansion in terms of J(J+c) instead of J(J+1), thus describing nuclear anharmonicities in a way similar to the Interacting Boson Model and the Generalized Variable Moment of Inertia model

  14. Vibrational kinetics in CO electric discharge lasers - Modeling and experiments

    Science.gov (United States)

    Stanton, A. C.; Hanson, R. K.; Mitchner, M.

    1980-01-01

    A model of CO laser vibrational kinetics is developed, and predicted vibrational distributions are compared with measurements. The experimental distributions were obtained at various flow locations in a transverse CW discharge in supersonic (M = 3) flow. Good qualitative agreement is obtained in the comparisons, including the prediction of a total inversion at low discharge current densities. The major area of discrepancy is an observed loss in vibrational energy downstream of the discharge which is not predicted by the model. This discrepancy may be due to three-dimensional effects in the experiment which are not included in the model. Possible kinetic effects which may contribute to vibrational energy loss are also examined.

  15. Anharmonic Rovibrational Partition Functions for Fluxional Species at High Temperatures via Monte Carlo Phase Space Integrals

    Energy Technology Data Exchange (ETDEWEB)

    Jasper, Ahren W. [Chemical Sciences and Engineering; Gruey, Zackery B. [Chemical Sciences and Engineering; Harding, Lawrence B. [Chemical Sciences and Engineering; Georgievskii, Yuri [Chemical Sciences and Engineering; Klippenstein, Stephen J. [Chemical Sciences and Engineering; Wagner, Albert F. [Chemical Sciences and Engineering

    2018-02-03

    Monte Carlo phase space integration (MCPSI) is used to compute full dimensional and fully anharmonic, but classical, rovibrational partition functions for 22 small- and medium-sized molecules and radicals. Several of the species considered here feature multiple minima and low-frequency nonlocal motions, and efficiently sampling these systems is facilitated using curvilinear (stretch, bend, and torsion) coordinates. The curvilinear coordinate MCPSI method is demonstrated to be applicable to the treatment of fluxional species with complex rovibrational structures and as many as 21 fully coupled rovibrational degrees of freedom. Trends in the computed anharmonicity corrections are discussed. For many systems, rovibrational anharmonicities at elevated temperatures are shown to vary consistently with the number of degrees of freedom and with temperature once rovibrational coupling and torsional anharmonicity are accounted for. Larger corrections are found for systems with complex vibrational structures, such as systems with multiple large-amplitude modes and/or multiple minima.

  16. A vibration model for centrifugal contactors

    Energy Technology Data Exchange (ETDEWEB)

    Leonard, R.A.; Wasserman, M.O.; Wygmans, D.G.

    1992-11-01

    Using the transfer matrix method, we created the Excel worksheet ``Beam`` for analyzing vibrations in centrifugal contactors. With this worksheet, a user can calculate the first natural frequency of the motor/rotor system for a centrifugal contactor. We determined a typical value for the bearing stiffness (k{sub B}) of a motor after measuring the k{sub B} value for three different motors. The k{sub B} value is an important parameter in this model, but it is not normally available for motors. The assumptions that we made in creating the Beam worksheet were verified by comparing the calculated results with those from a VAX computer program, BEAM IV. The Beam worksheet was applied to several contactor designs for which we have experimental data and found to work well.

  17. A vibration model for centrifugal contactors

    International Nuclear Information System (INIS)

    Leonard, R.A.; Wasserman, M.O.; Wygmans, D.G.

    1992-11-01

    Using the transfer matrix method, we created the Excel worksheet ''Beam'' for analyzing vibrations in centrifugal contactors. With this worksheet, a user can calculate the first natural frequency of the motor/rotor system for a centrifugal contactor. We determined a typical value for the bearing stiffness (k B ) of a motor after measuring the k B value for three different motors. The k B value is an important parameter in this model, but it is not normally available for motors. The assumptions that we made in creating the Beam worksheet were verified by comparing the calculated results with those from a VAX computer program, BEAM IV. The Beam worksheet was applied to several contactor designs for which we have experimental data and found to work well

  18. The anharmonic phonon decay rate in group-III nitrides

    International Nuclear Information System (INIS)

    Srivastava, G P

    2009-01-01

    Measured lifetimes of hot phonons in group-III nitrides have been explained theoretically by considering three-phonon anharmonic interaction processes. The basic ingredients of the theory include full phonon dispersion relations obtained from the application of an adiabatic bond charge model and crystal anharmonic potential within the isotropic elastic continuum model. The role of various decay routes, such as Klemens, Ridley, Vallee-Bogani and Barman-Srivastava channels, in determining the lifetimes of the Raman active zone-centre longitudinal optical (LO) modes in BN (zincblende structure) and A 1 (LO) modes in AlN, GaN and InN (wurtzite structure) has been quantified.

  19. Anharmonic effects in the quantum cluster equilibrium method

    Science.gov (United States)

    von Domaros, Michael; Perlt, Eva

    2017-03-01

    The well-established quantum cluster equilibrium (QCE) model provides a statistical thermodynamic framework to apply high-level ab initio calculations of finite cluster structures to macroscopic liquid phases using the partition function. So far, the harmonic approximation has been applied throughout the calculations. In this article, we apply an important correction in the evaluation of the one-particle partition function and account for anharmonicity. Therefore, we implemented an analytical approximation to the Morse partition function and the derivatives of its logarithm with respect to temperature, which are required for the evaluation of thermodynamic quantities. This anharmonic QCE approach has been applied to liquid hydrogen chloride and cluster distributions, and the molar volume, the volumetric thermal expansion coefficient, and the isobaric heat capacity have been calculated. An improved description for all properties is observed if anharmonic effects are considered.

  20. Non-linear vibrational modes in biomolecules: A periodic orbits description

    International Nuclear Information System (INIS)

    Kampanarakis, Alexandros; Farantos, Stavros C.; Daskalakis, Vangelis; Varotsis, Constantinos

    2012-01-01

    Graphical abstract: Vibrational frequency shifts in Fe IV = O species of the active site of cytochrome c oxidase are attributed to changes in the surrounding Coulomb field. Periodic orbits analysis assists to find the most anharmonic modes in model biomolecules. Highlights: ► Periodic orbits are extended to multidimensional potentials of biomolecules. ► Highly anharmonic vibrational modes and center-saddle bifurcations are detected. ► Vibrational frequencies shifts in Oxoferryl species of CcO are observed. - Abstract: The vibrational harmonic normal modes of a molecule, which are valid at energies close to an equilibrium point (a minimum, maximum or saddle of the potential energy surface), are extended by periodic orbits to high energies where anharmonicity and coupling of the degrees of freedom are significant. In this way the assignment of the spectra, and thus the extraction of dynamics in highly excited molecules, can be obtained. New vibrational modes emanating from bifurcations of periodic orbits and long living localized trajectories signal the birth and localization of new quantum states. In this article we review and further study non-linear vibrational modes for model biomolecules such as alanine dipeptide and the active site in the oxoferryl oxidation state of the enzyme cytochrome c oxidase. We locate periodic orbits which exhibit high anhamonicity and lead to center-saddle bifurcations. These modes are associated to an isomerization process in alanine dipeptide and to frequency shifts in the oxoferryl observed by modifying the Coulomb field around the Imidazole–Fe IV = O species.

  1. State resolved vibrational relaxation modeling for strongly nonequilibrium flows

    Science.gov (United States)

    Boyd, Iain D.; Josyula, Eswar

    2011-05-01

    Vibrational relaxation is an important physical process in hypersonic flows. Activation of the vibrational mode affects the fundamental thermodynamic properties and finite rate relaxation can reduce the degree of dissociation of a gas. Low fidelity models of vibrational activation employ a relaxation time to capture the process at a macroscopic level. High fidelity, state-resolved models have been developed for use in continuum gas dynamics simulations based on computational fluid dynamics (CFD). By comparison, such models are not as common for use with the direct simulation Monte Carlo (DSMC) method. In this study, a high fidelity, state-resolved vibrational relaxation model is developed for the DSMC technique. The model is based on the forced harmonic oscillator approach in which multi-quantum transitions may become dominant at high temperature. Results obtained for integrated rate coefficients from the DSMC model are consistent with the corresponding CFD model. Comparison of relaxation results obtained with the high-fidelity DSMC model shows significantly less excitation of upper vibrational levels in comparison to the standard, lower fidelity DSMC vibrational relaxation model. Application of the new DSMC model to a Mach 7 normal shock wave in carbon monoxide provides better agreement with experimental measurements than the standard DSMC relaxation model.

  2. Variational random phase approximation for the anharmonic oscillator

    International Nuclear Information System (INIS)

    Dukelsky, J.; Schuck, P.

    1990-04-01

    The recently derived Variational Random Phase Approximation is examined using the anharmonic oscillator model. Special attention is paid to the ground state RPA wave function and the convergence of the proposed truncation scheme to obtain the diagonal density matrix. Comparison with the standard Coupled Cluster method is made

  3. Comparison of Degrees of Potential-Energy-Surface Anharmonicity for Complexes and Clusters with Hydrogen Bonds

    Science.gov (United States)

    Kozlovskaya, E. N.; Doroshenko, I. Yu.; Pogorelov, V. E.; Vaskivskyi, Ye. V.; Pitsevich, G. A.

    2018-01-01

    Previously calculated multidimensional potential-energy surfaces of the MeOH monomer and dimer, water dimer, malonaldehyde, formic acid dimer, free pyridine-N-oxide/trichloroacetic acid complex, and protonated water dimer were analyzed. The corresponding harmonic potential-energy surfaces near the global minima were constructed for series of clusters and complexes with hydrogen bonds of different strengths based on the behavior of the calculated multidimensional potential-energy surfaces. This enabled the introduction of an obvious anharmonicity parameter for the calculated potential-energy surfaces. The anharmonicity parameter was analyzed as functions of the size of the analyzed area near the energy minimum, the number of points over which energies were compared, and the dimensionality of the solved vibrational problem. Anharmonicity parameters for potential-energy surfaces in complexes with strong, medium, and weak H-bonds were calculated under identical conditions. The obtained anharmonicity parameters were compared with the corresponding diagonal anharmonicity constants for stretching vibrations of the bridging protons and the lengths of the hydrogen bridges.

  4. Fragility, anharmonicity and anelasticity of silver borate glasses

    International Nuclear Information System (INIS)

    Carini, Giovanni; Carini, Giuseppe; D'Angelo, Giovanna; Tripodo, Gaspare; Bartolotta, Antonio; Marco, Gaetano Di

    2006-01-01

    The fragility and the anharmonicity of (Ag 2 O) x (B 2 O 3 ) 1-x borate glasses have been quantified by measuring the change in the specific heat capacity at the glass transition temperature T g and the room-temperature thermodynamic Grueneisen parameter. Increasing the silver oxide content above X = 0.10 leads to an increase of both the parameters, showing that a growing fragility of a glass-forming liquid is predictive of an increasing overall anharmonicity of its glassy state. The attenuation and velocity of ultrasonic waves of frequencies in the range of 10-70 MHz have also been measured in silver borate glasses as a function of temperature between 1.5 and 300 K. The experimental data reveal anelastic behaviours which are governed by (i) quantum-mechanical tunnelling below 20 K (ii) thermally activated relaxations between 20 and 200 K and (iii) vibrational anharmonicity at even higher temperatures. Evaluation of tunnelling (C) and relaxation (C * ) strengths shows that C is independent of the structural changes affecting the borate network with increasing metal oxide content and is at least one order of magnitude smaller than C * . The latter observation implies that only a small fraction of the locally mobile defects are subjected to tunnelling motions

  5. Infrared and Raman Spectra of and Isotopomers: A DFT-PT2 Anharmonic Study

    Directory of Open Access Journals (Sweden)

    Andrea Alparone

    2013-01-01

    Full Text Available IR and Raman spectra of selenophene and of its perdeuterated isotopomer have been obtained in gas phase through density-functional theory (DFT computations. Vibrational wavenumbers have been calculated using harmonic and anharmonic second-order perturbation theory (PT2 procedures with the B3LYP method and the 6-311 basis set. Anharmonic overtones have been determined by means of the PT2 method. The introduction of anharmonic terms decreases the harmonic wavenumbers, giving a significantly better agreement with the experimental data. The most significant anharmonic effects occur for the C–H and C–D stretching modes, the observed H/D isotopic wavenumber redshifts being satisfactorily reproduced by the PT2 computations within 6–20 cm−1 (1–3%. In the spectral region between 500 cm−1 and 1500 cm−1, the IR spectra are dominated by the out-of-plane C–H (C–D bending transition, whereas the Raman spectra are mainly characterized by a strong peak mainly attributed to the C=C + C–C bonds stretching vibration with the contribution of the in-plane C–H (C–D bending deformation. The current results confirm that the PT2 approach combined with the B3LYP/6-311 level of calculation is a satisfactory choice for predicting vibrational spectra of cyclic molecules.

  6. Fuzzy Multicriteria Model for Selection of Vibration Technology

    OpenAIRE

    María Carmen Carnero

    2016-01-01

    The benefits of applying the vibration analysis program are well known and have been so for decades. A large number of contributions have been produced discussing new diagnostic, signal treatment, technical parameter analysis, and prognosis techniques. However, to obtain the expected benefits from a vibration analysis program, it is necessary to choose the instrumentation which guarantees the best results. Despite its importance, in the literature, there are no models to assist in taking this...

  7. A New Quasi-Exactly Solvable Problem and Its Connection with an Anharmonic Oscillator

    International Nuclear Information System (INIS)

    Yang Dabao; Zhang Fulin; Chen Jingling

    2010-01-01

    The two-dimensional hydrogen with a linear potential in a magnetic field is solved by two different methods. Furthermore the connection between the model and an anharmonic oscillator is investigated by methods of KS transformation. (general)

  8. Fuzzy Multicriteria Model for Selection of Vibration Technology

    Directory of Open Access Journals (Sweden)

    María Carmen Carnero

    2016-01-01

    Full Text Available The benefits of applying the vibration analysis program are well known and have been so for decades. A large number of contributions have been produced discussing new diagnostic, signal treatment, technical parameter analysis, and prognosis techniques. However, to obtain the expected benefits from a vibration analysis program, it is necessary to choose the instrumentation which guarantees the best results. Despite its importance, in the literature, there are no models to assist in taking this decision. This research describes an objective model using Fuzzy Analytic Hierarchy Process (FAHP to make a choice of the most suitable technology among portable vibration analysers. The aim is to create an easy-to-use model for processing, manufacturing, services, and research organizations, to guarantee adequate decision-making in the choice of vibration analysis technology. The model described recognises that judgements are often based on ambiguous, imprecise, or inadequate information that cannot provide precise values. The model incorporates judgements from several decision-makers who are experts in the field of vibration analysis, maintenance, and electronic devices. The model has been applied to a Health Care Organization.

  9. Raman spectra of long chain hydrocarbons: anharmonic calculations, experiment and implications for imaging of biomembranes.

    Science.gov (United States)

    Šebek, Jiří; Pele, Liat; Potma, Eric O; Gerber, R Benny

    2011-07-28

    First-principles anharmonic vibrational calculations are carried out for the Raman spectrum of the C-H stretching bands in dodecane, and for the C-D bands in the deuterated molecule. The calculations use the Vibrational Self-Consistent Field (VSCF) algorithm. The results are compared with liquid-state experiments, after smoothing the isolated-molecule sharp-line computed spectra. Very good agreement between the computed and experimental results is found for the two systems. The combined theoretical and experimental results provide insights into the spectrum, elucidating the roles of symmetric and asymmetric CH(3) and CH(2) hydrogenic stretches. This is expected to be very useful for the interpretation of spectra of long-chain hydrocarbons. The results show that anharmonic effects on the spectrum are large. On the other hand, vibrational degeneracy effects seem to be rather modest at the resolution of the experiments. The degeneracy effects may have more pronounced manifestations in higher-resolution experiments. The results show that first-principles anharmonic vibrational calculations for hydrocarbons are feasible, in good agreement with experiment, opening the way for applications to many similar systems. The results may be useful for the analysis of CARS imaging of lipids, for which dodecane is a representative molecule. It is suggested that first-principles vibrational calculations may be useful also for CARS imaging of other systems. This journal is © the Owner Societies 2011

  10. Vibrational-rotational model of odd-odd nuclei

    International Nuclear Information System (INIS)

    Afanas'ev, A.V.; Guseva, T.V.; Tamberg, Yu.Ya.

    1988-01-01

    The rotational vibrational (RV) model of odd nuclei is generalized to odd-odd nuclei. The hamiltonian, wave functions and matrix elements of the RV-model of odd-odd nuclei are obtained. The expressions obtained for matrix elements of the RV-model of odd-odd nuclei can be used to study the role of vibrational additions in low-lying two-particle states of odd-odd deformed nuclei. Such calculations permit to study more correctly the residual neutron-proton interaction of valent nucleons with respect to collectivization effects

  11. HIGH-RESOLUTION IR ABSORPTION SPECTROSCOPY OF POLYCYCLIC AROMATIC HYDROCARBONS: THE REALM OF ANHARMONICITY

    Energy Technology Data Exchange (ETDEWEB)

    Maltseva, Elena; Buma, Wybren Jan [University of Amsterdam, Science Park 904, 1098 XH Amsterdam (Netherlands); Petrignani, Annemieke; Candian, Alessandra; Mackie, Cameron J.; Tielens, Alexander G. G. M. [Leiden Observatory, Niels Bohrweg 2, 2333 CA Leiden (Netherlands); Huang, Xinchuan; Lee, Timothy J. [SETI Institute, 189 Bernardo Avenue, Suite 100, Mountain View, CA 94043 (United States); Oomens, Jos, E-mail: w.j.buma@uva.nl, E-mail: petrignani@strw.leidenuniv.nl [Radboud University, Toernooiveld 7, 6525 ED Nijmegen (Netherlands)

    2015-11-20

    We report on an experimental and theoretical investigation of the importance of anharmonicity in the 3-μm CH stretching region of polycyclic aromatic hydrocarbon (PAH) molecules. We present mass-resolved, high-resolution spectra of the gas-phase cold (∼4 K) linear PAH molecules naphthalene, anthracene, and tetracene. The measured IR spectra show a surprisingly high number of strong vibrational bands. For naphthalene, the observed bands are well separated and limited by the rotational contour, revealing the band symmetries. Comparisons are made to the harmonic and anharmonic approaches of the widely used Gaussian software. We also present calculated spectra of these acenes using the computational program SPECTRO, providing anharmonic predictions with a Fermi-resonance treatment that utilizes intensity redistribution. We demonstrate that the anharmonicity of the investigated acenes is strong, dominated by Fermi resonances between the fundamental and double combination modes, with triple combination bands as possible candidates to resolve remaining discrepancies. The anharmonic spectra as calculated with SPECTRO lead to predictions of the main bands that fall within 0.5% of the experimental frequencies. The implications for the aromatic infrared bands, specifically the 3-μm band, are discussed.

  12. High-Resolution IR Absorption Spectroscopy of Polycyclic Aromatic Hydrocarbons: The Realm of Anharmonicity

    Science.gov (United States)

    Maltseva, Elena; Petrignani, Annemieke; Candian, Alessandra; Mackie, Cameron J.; Huang, Xinchuan; Lee, Timothy J.; Tielens, Alexander G. G. M.; Oomens, Jos; Buma, Wybren Jan

    2016-01-01

    We report on an experimental and theoretical investigation of the importance of anharmonicity in the 3 micrometers CH stretching region of Polycyclic Aromatic Hydrocarbon (PAH) molecules. We present mass-resolved, high-resolution spectra of the gas-phase cold ((is) approximately 4K) linear PAH molecules naphthalene, anthracene, and tetracene. The measured IR spectra show a surprisingly high number of strong vibrational bands. For naphthalene, the observed bands are well separated and limited by the rotational contour, revealing the band symmetries. Comparisons are made to the harmonic and anharmonic approaches of the widely used Gaussian software. We also present calculated spectra of these acenes using the computational program SPECTRO, providing anharmonic predictions enhanced with a Fermi-resonance treatment that utilizes intensity redistribution. We demonstrate that the anharmonicity of the investigated acenes is strong, dominated by Fermi resonances between the fundamental and double combination modes, with triple combination bands as possible candidates to resolve remaining discrepancies. The anharmonic spectra as calculated with SPECTRO lead to predictions of the main modes that fall within 0.5% of the experimental frequencies. The implications for the Aromatic Infrared Bands, specifically the 3-m band are discussed.

  13. Modelling of magnetostriction of transformer magnetic core for vibration analysis

    Science.gov (United States)

    Marks, Janis; Vitolina, Sandra

    2017-12-01

    Magnetostriction is a phenomenon occurring in transformer core in normal operation mode. Yet in time, it can cause the delamination of magnetic core resulting in higher level of vibrations that are measured on the surface of transformer tank during diagnostic tests. The aim of this paper is to create a model for evaluating elastic deformations in magnetic core that can be used for power transformers with intensive vibrations in order to eliminate magnetostriction as a their cause. Description of the developed model in Matlab and COMSOL software is provided including restrictions concerning geometry and properties of materials, and the results of performed research on magnetic core anisotropy are provided. As a case study modelling of magnetostriction for 5-legged 200 MVA power transformer with the rated voltage of 13.8/137kV is conducted, based on which comparative analysis of vibration levels and elastic deformations is performed.

  14. Modelling of magnetostriction of transformer magnetic core for vibration analysis

    Directory of Open Access Journals (Sweden)

    Marks Janis

    2017-12-01

    Full Text Available Magnetostriction is a phenomenon occurring in transformer core in normal operation mode. Yet in time, it can cause the delamination of magnetic core resulting in higher level of vibrations that are measured on the surface of transformer tank during diagnostic tests. The aim of this paper is to create a model for evaluating elastic deformations in magnetic core that can be used for power transformers with intensive vibrations in order to eliminate magnetostriction as a their cause. Description of the developed model in Matlab and COMSOL software is provided including restrictions concerning geometry and properties of materials, and the results of performed research on magnetic core anisotropy are provided. As a case study modelling of magnetostriction for 5-legged 200 MVA power transformer with the rated voltage of 13.8/137kV is conducted, based on which comparative analysis of vibration levels and elastic deformations is performed.

  15. Comparison of the local binding motifs in the imidazolium-based ionic liquids [EMIM][BF{sub 4}] and [EMMIM][BF{sub 4}] through cryogenic ion vibrational predissociation spectroscopy: Unraveling the roles of anharmonicity and intermolecular interactions

    Energy Technology Data Exchange (ETDEWEB)

    Fournier, Joseph A.; Wolke, Conrad T.; Johnson, Christopher J.; Johnson, Mark A., E-mail: mark.johnson@yale.edu, E-mail: mccoy@chemistry.ohio-state.edu [Sterling Chemistry Laboratory, Yale University, New Haven, Connecticut 06520 (United States); McCoy, Anne B., E-mail: mark.johnson@yale.edu, E-mail: mccoy@chemistry.ohio-state.edu [Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210 (United States)

    2015-02-14

    We clarify the role of the critical imidazolium C{sub (2)}H position (the central C between N atoms in the heterocycle) in the assembly motif of the [EMIM][BF{sub 4}] ionic liquid by analyzing the vibrational spectra of the bare EMIM{sup +} ion as well as that of the cationic [EMIM]{sub 2}[BF{sub 4}]{sup +} (EMIM{sup +} = 1-ethyl-3-methylimidazolium, C{sub 6}H{sub 11}N{sub 2}{sup +}) cluster. Vibrational spectra of the cold, mass-selected ions are obtained using cryogenic ion vibrational predissociation of weakly bound D{sub 2} molecules formed in a 10 K ion trap. The C{sub (2)}H behavior is isolated by following the evolution of key vibrational features when the C{sub (2)} hydrogen, the proposed binding location of the anion to the imidazolium ring, is replaced by either deuterium or a methyl group (i.e., in the EMMIM{sup +} analogue). Strong features in the ring CH stretching region of the bare ion are traced to Fermi resonances with overtones of lower frequency modes. Upon incorporation into the EMIM{sup +} ⋅ ⋅ ⋅ BF{sub 4}{sup −} ⋅ ⋅ ⋅ EMIM{sup +} ternary complex, the C{sub (2)}H oscillator strength is dramatically increased, accounting for the much more complicated patterns derived from the EMIM{sup +} ring CH stretches in the light isotopomer, which are strongly suppressed in the deuterated analogue. Further changes in the spectra that occur when the C{sub (2)}H is replaced by a methyl group are consistent with BF{sub 4}{sup −} attachment directly to the imidazolium ring in an arrangement that maximizes the electrostatic interaction between the molecular ions.

  16. Orientational anharmonicity of interatomic interaction in cubic monocrystals

    International Nuclear Information System (INIS)

    Belomestnykh, Vladimir N.; Tesleva, Elena P.

    2010-01-01

    Anharmonicity of interatomic interaction from a position of physical acoustics under the standard conditions is investigated. It is shown that the measure of anharmonicity of interatomic interaction (Grilneisen parameter) is explicitly expressed through velocities of sound. Calculation results of orientation anharmonicity are shown on the example of 116 cubic monocrystals with different lattice structural type and type of chemical bond. Two types of anharmonicity interatomic interaction anisotropy are determined. Keywords: acoustics, orientational anharmonicity, Gruneisen parameter, velocity of sound

  17. Insight into structural phase transitions from the decoupled anharmonic mode approximation.

    Science.gov (United States)

    Adams, Donat J; Passerone, Daniele

    2016-08-03

    We develop a formalism (decoupled anharmonic mode approximation, DAMA) that allows calculation of the vibrational free energy using density functional theory even for materials which exhibit negative curvature of the potential energy surface with respect to atomic displacements. We investigate vibrational modes beyond the harmonic approximation and approximate the potential energy surface with the superposition of the accurate potential along each normal mode. We show that the free energy can stabilize crystal structures at finite temperatures which appear dynamically unstable at T  =  0. The DAMA formalism is computationally fast because it avoids statistical sampling through molecular dynamics calculations, and is in principle completely ab initio. It is free of statistical uncertainties and independent of model parameters, but can give insight into the mechanism of a structural phase transition. We apply the formalism to the perovskite cryolite, and investigate the temperature-driven phase transition from the P21/n to the Immm space group. We calculate a phase transition temperature between 710 and 950 K, in fair agreement with the experimental value of 885 K. This can be related to the underestimation of the interaction of the vibrational states. We also calculate the main axes of the thermal ellipsoid and can explain the experimentally observed increase of its volume for the fluorine by 200-300% throughout the phase transition. Our calculations suggest the appearance of tunneling states in the high temperature phase. The convergence of the vibrational DOS and of the critical temperature with respect of reciprocal space sampling is investigated using the polarizable-ion model.

  18. Electrical and mechanical anharmonicities from NIR-VCD spectra of compounds exhibiting axial and planar chirality: the cases of (S)-2,3-pentadiene and methyl-d(3) (R)- and (S)-[2.2]paracyclophane-4-carboxylate.

    Science.gov (United States)

    Abbate, Sergio; Longhi, Giovanna; Gangemi, Fabrizio; Gangemi, Roberto; Superchi, Stefano; Caporusso, Anna Maria; Ruzziconi, Renzo

    2011-10-01

    The IR and Near infrared (NIR) vibrational circular dichroism (VCD) spectra of molecules endowed with noncentral chirality have been investigated. Data for fundamental, first, and second overtone regions of (S)-2,3-pentadiene, exhibiting axial chirality, and methyl-d(3) (R)- and (S)-[2.2]paracyclophane-4-carboxylate, exhibiting planar chirality have been measured and analyzed. The analysis of NIR and IR VCD spectra was based on the local-mode model and the use of density functional theory (DFT), providing mechanical and electrical anharmonic terms for all CH-bonds. The comparison of experimental and calculated spectra is satisfactory and allows one to monitor fine details in the asymmetric charge distribution in the molecules: these details consist in the harmonic frequencies, in the principal anharmonicity constants, in both the atomic polar and axial tensors and in their first and second derivatives with respect to the CH-stretching coordinates. Copyright © 2011 Wiley-Liss, Inc.

  19. Scale modeling flow-induced vibrations of reactor components

    International Nuclear Information System (INIS)

    Mulcahy, T.M.

    1982-06-01

    Similitude relationships currently employed in the design of flow-induced vibration scale-model tests of nuclear reactor components are reviewed. Emphasis is given to understanding the origins of the similitude parameters as a basis for discussion of the inevitable distortions which occur in design verification testing of entire reactor systems and in feature testing of individual component designs for the existence of detrimental flow-induced vibration mechanisms. Distortions of similitude parameters made in current test practice are enumerated and selected example tests are described. Also, limitations in the use of specific distortions in model designs are evaluated based on the current understanding of flow-induced vibration mechanisms and structural response

  20. Interacting p- Boson model with isospin

    International Nuclear Information System (INIS)

    Chen, C.H.-T.

    A description of collective states in self-conjugate nuclei is proposed, both odd-odd and even-even, in terms of an interacting isoscalar p-boson model. Within this model, two limiting cases can be identified with the anharmonic vibrator and axial rotor limits of the classical geometrical description. (Author) [pt

  1. An approach to global rovibrational analysis based on anharmonic ladder operators: Application to Hydrogen Selenide (H{sub 2}{sup 80}Se)

    Energy Technology Data Exchange (ETDEWEB)

    Alvarez-Bajo, O. [Dpto. Fisica Aplicada, Facultad de Ciencias Experimentales, Universidad de Huelva, 21071 Huelva (Spain); Carvajal, M., E-mail: miguel.carvajal@dfa.uhu.es [Dpto. Fisica Aplicada, Facultad de Ciencias Experimentales, Universidad de Huelva, 21071 Huelva (Spain); Perez-Bernal, F. [Dpto. Fisica Aplicada, Facultad de Ciencias Experimentales, Universidad de Huelva, 21071 Huelva (Spain)

    2012-01-02

    Graphical abstract: Schematic diagram of a bent triatomic molecule, depicting the atom numbering, and molecular axis system. An algebraic approach to perform global rovibrational analysis is presented. Highlights: Black-Right-Pointing-Pointer Novel approach for a global rovibrational analysis of polyatomic molecules spectra. Black-Right-Pointing-Pointer One-dimensional vibron model limit combined with rotational degrees of freedom. Black-Right-Pointing-Pointer Phase space Hamiltonian written in terms of anharmonic ladder operators. Black-Right-Pointing-Pointer Algebraic calculations performed with a symmetry-adapted rovibrational basis. Black-Right-Pointing-Pointer Description of the rovibrational spectrum of H{sub 2}Se in the ground electronic state. - Abstract: An algebraic approach to perform global rovibrational analysis of molecular spectra is presented. The approach combines the one-dimensional limit of the vibron model with rotational degrees of freedom. The model is based on the expression of the phase space Hamiltonian in terms of anharmonic ladder operators and the use of a symmetry-adapted basis set given by the linear combination of products of local vibrational and rotational wavefunctions. As an example we model the rovibrational spectra of a bent triatomic molecule, providing a global analysis for vibrational bands up to polyad 12 and J{sub max} = 5 of Hydrogen Selenide (H{sub 2}Se). Satisfactory fits of vibrational and rovibrational energies are obtained. A prediction of 2579 rovibrational energies up to J Less-Than-Or-Slanted-Equal-To 5 and polyad 12 for the 140 lowest vibrational bands is also obtained. A possible extension of the model to reach spectroscopic quality results in larger molecular systems is also given.

  2. Emergency Gate Vibration of the Pipe-Turbine Model

    Directory of Open Access Journals (Sweden)

    Andrej Predin

    2000-01-01

    Full Text Available The vibration behavior of an emergency gate situated on a horizontal-shaft Kaplan turbine is studied. The analysis and transfer of the dynamic movements of the gate are quite complex. In particular the behavior is examined of the emergency gate for the case when the power unit is disconnected from the system or there is a breakdown of the guide vane system at the moment when the maximal head and capacity are achieved. Experimental-numerical methods both in the time domain and in the frequency domain are employed. Natural vibrations characterize a first zone, corresponding to relatively small gate openings. As the gate opening increases, the vibration behavior of the gate becomes increasingly dependent on the swirl pulsations in the draft tube of the turbine. Finally, the data transfer from the model to the prototype by use of the dynamic similitude law is discussed.

  3. Anharmonic phonons and the isotope effect in superconductivity

    International Nuclear Information System (INIS)

    Crespi, V.H.; Cohen, M.L.; Penn, D.R.

    1991-01-01

    Anharmonic interionic potentials are examined in an Einstein model to study the unusual isotope-effect exponents for the high-T c oxides. The mass dependences of the electron-phonon coupling constant λ and the average phonon frequency √ left-angle ω 2 right-angle are computed from weighted sums over the oscillator levels. The isotope-effect exponent is depressed below 1/2 by either a double-well potential or a potential with positive quadratic and quartic parts. Numerical solutions of Schroedinger's equation for double-well potentials produce λ's in the range 1.5--4 for a material with a vanishing isotope-effect parameter α. However, low phonon frequencies limit T c to roughly 15 K. A negative quartic perturbation to a harmonic well can increase α above 1/2. In the extreme-strong-coupling limit, α is 1/2, regardless of anharmonicity

  4. Component vibration of VVER-reactors - diagnostics and modelling

    International Nuclear Information System (INIS)

    Altstadt, E.; Scheffler, M.; Weiss, F.-P.

    1995-01-01

    Flow induced vibrations of reactor pressure vessel (RPV) internals (control element and core barrel motions) at VVER-440 reactors have led to the development of dedicated methods for on-line monitoring. These methods need a certain developed stage of the faults to be detected. To achieve a real sensitive early detection of mechanical faults of RPV internals, a theoretical vibration model was developed based on finite elements. The model comprises the whole primary circuit including the steam generators (SG). By means of that model all eigenfrequencies up to 30 Hz and the corresponding mode shapes were calculated for the normal vibration behaviour. Moreover the shift of eigenfrequencies and of amplitudes due to the degradation or to the failure of internal clamping and spring elements could be investigated, showing that a recognition of such degradations even inside the RPV is possible by pure excore vibration measurements. A true diagnostic, that is the identification of the failed component, might become possible because different faults influence different and well separated eigenfrequencies. (author)

  5. Vibration Based Diagnosis for Planetary Gearboxes Using an Analytical Model

    Directory of Open Access Journals (Sweden)

    Liu Hong

    2016-01-01

    Full Text Available The application of conventional vibration based diagnostic techniques to planetary gearboxes is a challenge because of the complexity of frequency components in the measured spectrum, which is the result of relative motions between the rotary planets and the fixed accelerometer. In practice, since the fault signatures are usually contaminated by noises and vibrations from other mechanical components of gearboxes, the diagnostic efficacy may further deteriorate. Thus, it is essential to develop a novel vibration based scheme to diagnose gear failures for planetary gearboxes. Following a brief literature review, the paper begins with the introduction of an analytical model of planetary gear-sets developed by the authors in previous works, which can predict the distinct behaviors of fault introduced sidebands. This analytical model is easy to implement because the only prerequisite information is the basic geometry of the planetary gear-set. Afterwards, an automated diagnostic scheme is proposed to cope with the challenges associated with the characteristic configuration of planetary gearboxes. The proposed vibration based scheme integrates the analytical model, a denoising algorithm, and frequency domain indicators into one synergistic system for the detection and identification of damaged gear teeth in planetary gearboxes. Its performance is validated with the dynamic simulations and the experimental data from a planetary gearbox test rig.

  6. Quantum theory of anharmonic oscillators

    International Nuclear Information System (INIS)

    Yamazaki, K.; Kyoto Univ.

    1983-01-01

    This in investigation of an anharmonic oscillator characterized by the potential ωsub(o) 2 /2 g 2 + lambda'q 4 . By using the equations of motion and the relations obtained by evaluating where O is an arbitrary operator, H is our total Hamiltonian and |i> and |j> are exact eigenstates of H, we derive an exact recurrence formula. This formula allows us to express tau-functions with a higher power of the variables through tau-functions with a lower power of the variables and energy eigenvalues. In this way we derive several exact relations, which are, in a sense, generalizations of the virial theorem and sum rules. These exact relations are the central equations of this paper. On the basis of these exact relations we propose our 'nearest neighbour level' (N.N.L.) approximation, which seems to provide a good approximation scheme. We can also use our exact relations to test the validity of various approximation methods, and as an example, we discuss the 'New-Tamm-Dancoff' (N.T.D)-type of approximation in detail. (Author)

  7. Anomalous phase behavior and apparent anharmonicity of the pump-probe signal in a two-dimensional harmonic potential system

    International Nuclear Information System (INIS)

    Taneichi, T.; Kobayashi, T.

    2007-01-01

    Discussion on wavelength dependent 'anharmonic' effects in a pump-probe signal for a system of wavepacket on one- and two-dimensional harmonic potentials was given. The Fourier power spectrum of the signal, calculated for a model composed of a three-state electronic system coupled to a set of displaced harmonic oscillators, depends on the pulse duration. Condition under which the wavepacket motion in the harmonic potential substantially deviates from that of the classical point mass is derived. The Fourier power spectrum has enhanced components with frequencies of harmonics even in a system composed of ideally harmonic potentials. Utility of the Fourier analysis of the spectrum for clarification of the squeezed molecular vibrational state is discussed. Calculated oscillatory behavior in phase of a pump-probe signal, as a function of probe frequency, was discussed in terms of a two-dimensional effect on a pump-probe signal

  8. ANCA: Anharmonic Conformational Analysis of Biomolecular Simulations.

    Science.gov (United States)

    Parvatikar, Akash; Vacaliuc, Gabriel S; Ramanathan, Arvind; Chennubhotla, S Chakra

    2018-05-08

    Anharmonicity in time-dependent conformational fluctuations is noted to be a key feature of functional dynamics of biomolecules. Although anharmonic events are rare, long-timescale (μs-ms and beyond) simulations facilitate probing of such events. We have previously developed quasi-anharmonic analysis to resolve higher-order spatial correlations and characterize anharmonicity in biomolecular simulations. In this article, we have extended this toolbox to resolve higher-order temporal correlations and built a scalable Python package called anharmonic conformational analysis (ANCA). ANCA has modules to: 1) measure anharmonicity in the form of higher-order statistics and its variation as a function of time, 2) output a storyboard representation of the simulations to identify key anharmonic conformational events, and 3) identify putative anharmonic conformational substates and visualization of transitions between these substates. Copyright © 2018 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  9. Model of heap formation in vibrated gravitational suspensions.

    Science.gov (United States)

    Ebata, Hiroyuki; Sano, Masaki

    2015-11-01

    In vertically vibrated dense suspensions, several localized structures have been discovered, such as heaps, stable holes, expanding holes, and replicating holes. Because an inclined free fluid surface is difficult to maintain because of gravitational pressure, the mechanism of those structures is not understood intuitively. In this paper, as a candidate for the driving mechanism, we focus on the boundary condition on a solid wall: the slip-nonslip switching boundary condition in synchronization with vertical vibration. By applying the lubrication approximation, we derived the time evolution equation of the fluid thickness from the Oldroyd-B fluid model. In our model we show that the initially flat fluid layer becomes unstable in a subcritical manner, and heaps and convectional flow appear. The obtained results are consistent with those observed experimentally. We also find that heaps climb a slope when the bottom is slightly inclined. We show that viscoelasticity enhances heap formation and climbing of a heap on the slope.

  10. Computer modeling of flow induced in-reactor vibrations

    International Nuclear Information System (INIS)

    Turula, P.; Mulcahy, T.M.

    1977-01-01

    An assessment of the reliability of finite element method computer models, as applied to the computation of flow induced vibration response of components used in nuclear reactors, is presented. The prototype under consideration was the Fast Flux Test Facility reactor being constructed for US-ERDA. Data were available from an extensive test program which used a scale model simulating the hydraulic and structural characteristics of the prototype components, subjected to scaled prototypic flow conditions as well as to laboratory shaker excitations. Corresponding analytical solutions of the component vibration problems were obtained using the NASTRAN computer code. Modal analyses and response analyses were performed. The effect of the surrounding fluid was accounted for. Several possible forcing function definitions were considered. Results indicate that modal computations agree well with experimental data. Response amplitude comparisons are good only under conditions favorable to a clear definition of the structural and hydraulic properties affecting the component motion. 20 refs

  11. Confinement-induced resonances in anharmonic waveguides

    Energy Technology Data Exchange (ETDEWEB)

    Peng Shiguo [Department of Physics, Tsinghua University, Beijing 100084 (China); Centre for Atom Optics and Ultrafast Spectroscopy, Swinburne University of Technology, Melbourne 3122 (Australia); Hu Hui; Liu Xiaji; Drummond, Peter D. [Centre for Atom Optics and Ultrafast Spectroscopy, Swinburne University of Technology, Melbourne 3122 (Australia)

    2011-10-15

    We develop the theory of anharmonic confinement-induced resonances (ACIRs). These are caused by anharmonic excitation of the transverse motion of the center of mass (c.m.) of two bound atoms in a waveguide. As the transverse confinement becomes anisotropic, we find that the c.m. resonant solutions split for a quasi-one-dimensional (1D) system, in agreement with recent experiments. This is not found in harmonic confinement theories. A new resonance appears for repulsive couplings (a{sub 3D}>0) for a quasi-two-dimensional (2D) system, which is also not seen with harmonic confinement. After inclusion of anharmonic energy corrections within perturbation theory, we find that these ACIRs agree extremely well with anomalous 1D and 2D confinement-induced resonance positions observed in recent experiments. Multiple even- and odd-order transverse ACIRs are identified in experimental data, including up to N=4 transverse c.m. quantum numbers.

  12. Experimental dynamic characterizations and modelling of disk vibrations for HDDs.

    Science.gov (United States)

    Pang, Chee Khiang; Ong, Eng Hong; Guo, Guoxiao; Qian, Hua

    2008-01-01

    Currently, the rotational speed of spindle motors in HDDs (Hard-Disk Drives) are increasing to improve high data throughput and decrease rotational latency for ultra-high data transfer rates. However, the disk platters are excited to vibrate at their natural frequencies due to higher air-flow excitation as well as eccentricities and imbalances in the disk-spindle assembly. These factors contribute directly to TMR (Track Mis-Registration) which limits achievable high recording density essential for future mobile HDDs. In this paper, the natural mode shapes of an annular disk mounted on a spindle motor used in current HDDs are characterized using FEM (Finite Element Methods) analysis and verified with SLDV (Scanning Laser Doppler Vibrometer) measurements. The identified vibration frequencies and amplitudes of the disk ODS (Operating Deflection Shapes) at corresponding disk mode shapes are modelled as repeatable disturbance components for servo compensation in HDDs. Our experimental results show that the SLDV measurements are accurate in capturing static disk mode shapes without the need for intricate air-flow aero-elastic models, and the proposed disk ODS vibration model correlates well with experimental measurements from a LDV.

  13. Theory of a quantum anharmonic oscillator

    International Nuclear Information System (INIS)

    Carusotto, S.

    1988-01-01

    The time evolution of a quantum single-quartic anharmonic oscillator is considered. The study is carried on in operational form by use of the raising and lowering operators of the oscillator. The equation of motion is solved by application of a new integration method based on iteration techniques, and the rigorous solutions that describe the time development of the displacement and momentum operators of the oscillator are obtained. These operators are presented as a Laplace transform and a subsequent inverse Laplace transform of suitable functionals. Finally, the results are employed to describe the time evolution of a quasiclassical anharmonic oscillator

  14. Kinks in systems with cubic and quartic anharmonicity

    International Nuclear Information System (INIS)

    Kashcheev, V.N.

    1988-01-01

    For a classical system of interacting particles with on-site cubic or quartic anharmonicity explicit analytic solutions of the d'Alembert equation are obtained in the form of kinks in the presence of dissipation (viscous or Rayleigh) and a constant force. These kinks will be asymptotically stable in the case of quartic anharmonicity and unstable in the case cubic anharmonicity

  15. Bandshapes in vibrational spectroscopy

    International Nuclear Information System (INIS)

    Dijkman, F.G.

    1978-01-01

    A detailed account is given of the development of modern bandshape theories since 1965. An investigation into the relative contributions of statistical irreversible relaxation processes is described, for a series of molecules in which gradually the length of one molecular axis is increased. An investigation into the theoretical and experimental investigation of the broadening brought about by the effect of fluctuating intermolecular potentials on the vibrational frequency is also described. The effect of an intermolecular perturbative potential on anharmonic and Morse oscillators is discussed and the results are presented of a computation on the broadening of the vibrational band of some diatomic molecules in a rigid lattice type solvent. The broadening of the OH-stretching vibration in a number of aliphatic alcohols, the vibrational bandshapes of the acetylenic C-H stretching vibration and of the symmetric methyl stretching vibration are investigated. (Auth./ C.F.)

  16. A fluctuating quantum model of the CO vibration in carboxyhemoglobin.

    Science.gov (United States)

    Falvo, Cyril; Meier, Christoph

    2011-06-07

    In this paper, we present a theoretical approach to construct a fluctuating quantum model of the CO vibration in heme-CO proteins and its interaction with external laser fields. The methodology consists of mixed quantum-classical calculations for a restricted number of snapshots, which are then used to construct a parametrized quantum model. As an example, we calculate the infrared absorption spectrum of carboxy-hemoglobin, based on a simplified protein model, and found the absorption linewidth in good agreement with the experimental results. © 2011 American Institute of Physics

  17. Model reduction and analysis of a vibrating beam microgyroscope

    KAUST Repository

    Ghommem, Mehdi; Nayfeh, Ali Hasan; Choura, Slim A.

    2012-01-01

    The present work is concerned with the nonlinear dynamic analysis of a vibrating beam microgyroscope composed of a rotating cantilever beam with a tip mass at its end. The rigid mass is coupled to two orthogonal electrodes in the drive and sense directions, which are attached to the rotating base. The microbeam is driven by an AC voltage in the drive direction, which induces vibrations in the orthogonal sense direction due to rotation about the microbeam axis. The electrode placed in the sense direction is used to measure the induced motions and extract the underlying angular speed. A reduced-order model of the gyroscope is developed using the method of multiple scales and used to examine its dynamic behavior. © The Author(s) 2012 Reprints and permissions: sagepub.co.uk/journalsPermissions.nav.

  18. Model reduction and analysis of a vibrating beam microgyroscope

    KAUST Repository

    Ghommem, Mehdi

    2012-05-08

    The present work is concerned with the nonlinear dynamic analysis of a vibrating beam microgyroscope composed of a rotating cantilever beam with a tip mass at its end. The rigid mass is coupled to two orthogonal electrodes in the drive and sense directions, which are attached to the rotating base. The microbeam is driven by an AC voltage in the drive direction, which induces vibrations in the orthogonal sense direction due to rotation about the microbeam axis. The electrode placed in the sense direction is used to measure the induced motions and extract the underlying angular speed. A reduced-order model of the gyroscope is developed using the method of multiple scales and used to examine its dynamic behavior. © The Author(s) 2012 Reprints and permissions: sagepub.co.uk/journalsPermissions.nav.

  19. A Solvatochromic Model Calibrates Nitriles’ Vibrational Frequencies to Electrostatic Fields

    Science.gov (United States)

    Bagchi, Sayan; Fried, Stephen D.; Boxer, Steven G.

    2012-01-01

    Electrostatic interactions provide a primary connection between a protein’s three-dimensional structure and its function. Infrared (IR) probes are useful because vibrational frequencies of certain chemical groups, such as nitriles, are linearly sensitive to local electrostatic field, and can serve as a molecular electric field meter. IR spectroscopy has been used to study electrostatic changes or fluctuations in proteins, but measured peak frequencies have not been previously mapped to total electric fields, because of the absence of a field-frequency calibration and the complication of local chemical effects such as H-bonds. We report a solvatochromic model that provides a means to assess the H-bonding status of aromatic nitrile vibrational probes, and calibrates their vibrational frequencies to electrostatic field. The analysis involves correlations between the nitrile’s IR frequency and its 13C chemical shift, whose observation is facilitated by a robust method for introducing isotopes into aromatic nitriles. The method is tested on the model protein Ribonuclease S (RNase S) containing a labeled p-CN-Phe near the active site. Comparison of the measurements in RNase S against solvatochromic data gives an estimate of the average total electrostatic field at this location. The value determined agrees quantitatively with MD simulations, suggesting broader potential for the use of IR probes in the study of protein electrostatics. PMID:22694663

  20. Vibration modelling and verifications for whole aero-engine

    Science.gov (United States)

    Chen, G.

    2015-08-01

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

  1. Vibration behavior of PWR reactor internals Model experiments and analysis

    International Nuclear Information System (INIS)

    Assedo, R.; Dubourg, M.; Livolant, M.; Epstein, A.

    1975-01-01

    In the late 1971, the CEA and FRAMATOME decided to undertake a comprehensive joint program of studying the vibration behavior of PWR internals of the 900 MWe, 50 cycle, 3 loop reactor series being built by FRAMATOME in France. The PWR reactor internals are submitted to several sources of excitation during normal operation. Two main sources of excitation may effect the internals behavior: the large flow turbulences which could generate various instabilities such as: vortex shedding: the pump pressure fluctuations which could generate acoustic noise in the circuit at frequencies corresponding to shaft speed frequencies or blade passing frequencies, and their respective harmonics. The flow induced vibrations are of complex nature and the approach selected, for this comprehensive program, is semi-empirical and based on both theoretical analysis and experiments on a reduced scale model and full scale internals. The experimental support of this program consists of: the SAFRAN test loop which consists of an hydroelastic similitude of a 1/8 scale model of a PWR; harmonic vibration tests in air performed on full scale reactor internals in the manufacturing shop; the GENNEVILLIERS facilities which is a full flow test facility of primary pump; the measurements carried out during start up on the Tihange reactor. This program will be completed in April 1975. The results of this program, the originality of which consists of studying separately the effects of random excitations and acoustic noises, on the internals behavior, and by establishing a comparison between experiments and analysis, will bring a major contribution for explaining the complex vibration phenomena occurring in a PWR

  2. Physical model study of neutron noise induced by vibration of reactor internals

    International Nuclear Information System (INIS)

    Liu Jinhui; Gu Fangyu

    1999-01-01

    The author presents a physical model of neutron noise induced by reactor internals vibration in frequency domain. Based on system control theory, the reactor dynamic equations are coupled with random vibration equation, and non-linear terms are also taken into accounted while treating the random vibration. Experiments carried out on a zero-power reactor show that the model can be used to describe dynamic character of neutron noise induced by internals' vibration. The model establishes a method to help to determine internals'vibration features, and to diagnosis anomalies through neutron noise

  3. Scattering of Neutrons by an Anharmonic Crystal

    Energy Technology Data Exchange (ETDEWEB)

    Hoegberg, T; Bohlin, L; Ebbsjoe, I

    1967-04-15

    Numerical calculations have been performed for the anharmonic effects in neutron scattering. The phonon frequency widths and shifts have been calculated as a function of neutron frequency at different wave numbers and temperatures for a potential with central symmetry and for a face-centered cubic lattice.

  4. Heat transport in an anharmonic crystal

    Science.gov (United States)

    Acharya, Shiladitya; Mukherjee, Krishnendu

    2018-04-01

    We study transport of heat in an ordered, anharmonic crystal in the form of slab geometry in three dimensions. Apart from attaching baths of Langevin type to two extreme surfaces, we also attach baths of same type to the intermediate surfaces of the slab. Since the crystal is uninsulated, it exchanges energy with the intermediate heat baths. We find that both Fourier’s law of heat conduction and the Newton’s law of cooling hold to leading order in anharmonic coupling. The leading behavior of the temperature profile is exponentially falling from high to low temperature surface of the slab. As the anharmonicity increases, profiles fall more below the harmonic one in the log plot. In the thermodynamic limit thermal conductivity remains independent of the environment temperature and its leading order anharmonic contribution is linearly proportional to the temperature change between the two extreme surfaces of the slab. A fast crossover from one-dimensional (1D) to three-dimensional (3D) behavior of the thermal conductivity is observed in the system.

  5. Proof of Nishida's Conjecture on Anharmonic Lattices

    Science.gov (United States)

    Rink, Bob

    2006-02-01

    We prove Nishida's 1971 conjecture stating that almost all low-energetic motions of the anharmonic Fermi-Pasta-Ulam lattice with fixed endpoints are quasi-periodic. The proof is based on the formal computations of Nishida, the KAM theorem, discrete symmetry considerations and an algebraic trick that considerably simplifies earlier results.

  6. Comparative study of quantum anharmonic potentials

    International Nuclear Information System (INIS)

    Amore, Paolo; Aranda, Alfredo; De Pace, Arturo; Lopez, Jorge A.

    2004-01-01

    We perform a study of various anharmonic potentials using a recently developed method. We calculate both the wave functions and the energy eigenvalues for the ground and first excited states of the quartic, sextic and octic potentials with high precision, comparing the results with other techniques available in the literature

  7. Force Limited Random Vibration Test of TESS Camera Mass Model

    Science.gov (United States)

    Karlicek, Alexandra; Hwang, James Ho-Jin; Rey, Justin J.

    2015-01-01

    The Transiting Exoplanet Survey Satellite (TESS) is a spaceborne instrument consisting of four wide field-of-view-CCD cameras dedicated to the discovery of exoplanets around the brightest stars. As part of the environmental testing campaign, force limiting was used to simulate a realistic random vibration launch environment. While the force limit vibration test method is a standard approach used at multiple institutions including Jet Propulsion Laboratory (JPL), NASA Goddard Space Flight Center (GSFC), European Space Research and Technology Center (ESTEC), and Japan Aerospace Exploration Agency (JAXA), it is still difficult to find an actual implementation process in the literature. This paper describes the step-by-step process on how the force limit method was developed and applied on the TESS camera mass model. The process description includes the design of special fixtures to mount the test article for properly installing force transducers, development of the force spectral density using the semi-empirical method, estimation of the fuzzy factor (C2) based on the mass ratio between the supporting structure and the test article, subsequent validating of the C2 factor during the vibration test, and calculation of the C.G. accelerations using the Root Mean Square (RMS) reaction force in the spectral domain and the peak reaction force in the time domain.

  8. A modal approach to modeling spatially distributed vibration energy dissipation.

    Energy Technology Data Exchange (ETDEWEB)

    Segalman, Daniel Joseph

    2010-08-01

    The nonlinear behavior of mechanical joints is a confounding element in modeling the dynamic response of structures. Though there has been some progress in recent years in modeling individual joints, modeling the full structure with myriad frictional interfaces has remained an obstinate challenge. A strategy is suggested for structural dynamics modeling that can account for the combined effect of interface friction distributed spatially about the structure. This approach accommodates the following observations: (1) At small to modest amplitudes, the nonlinearity of jointed structures is manifest primarily in the energy dissipation - visible as vibration damping; (2) Correspondingly, measured vibration modes do not change significantly with amplitude; and (3) Significant coupling among the modes does not appear to result at modest amplitudes. The mathematical approach presented here postulates the preservation of linear modes and invests all the nonlinearity in the evolution of the modal coordinates. The constitutive form selected is one that works well in modeling spatially discrete joints. When compared against a mathematical truth model, the distributed dissipation approximation performs well.

  9. Vibration acceleration promotes bone formation in rodent models.

    Directory of Open Access Journals (Sweden)

    Ryohei Uchida

    Full Text Available All living tissues and cells on Earth are subject to gravitational acceleration, but no reports have verified whether acceleration mode influences bone formation and healing. Therefore, this study was to compare the effects of two acceleration modes, vibration and constant (centrifugal accelerations, on bone formation and healing in the trunk using BMP 2-induced ectopic bone formation (EBF mouse model and a rib fracture healing (RFH rat model. Additionally, we tried to verify the difference in mechanism of effect on bone formation by accelerations between these two models. Three groups (low- and high-magnitude vibration and control-VA groups were evaluated in the vibration acceleration study, and two groups (centrifuge acceleration and control-CA groups were used in the constant acceleration study. In each model, the intervention was applied for ten minutes per day from three days after surgery for eleven days (EBF model or nine days (RFH model. All animals were sacrificed the day after the intervention ended. In the EBF model, ectopic bone was evaluated by macroscopic and histological observations, wet weight, radiography and microfocus computed tomography (micro-CT. In the RFH model, whole fracture-repaired ribs were excised with removal of soft tissue, and evaluated radiologically and histologically. Ectopic bones in the low-magnitude group (EBF model had significantly greater wet weight and were significantly larger (macroscopically and radiographically than those in the other two groups, whereas the size and wet weight of ectopic bones in the centrifuge acceleration group showed no significant difference compared those in control-CA group. All ectopic bones showed calcified trabeculae and maturated bone marrow. Micro-CT showed that bone volume (BV in the low-magnitude group of EBF model was significantly higher than those in the other two groups (3.1±1.2mm3 v.s. 1.8±1.2mm3 in high-magnitude group and 1.3±0.9mm3 in control-VA group, but

  10. A Shell Model for Free Vibration Analysis of Carbon Nanoscroll

    Directory of Open Access Journals (Sweden)

    Amin Taraghi Osguei

    2017-04-01

    Full Text Available Carbon nanoscroll (CNS is a graphene sheet rolled into a spiral structure with great potential for different applications in nanotechnology. In this paper, an equivalent open shell model is presented to study the vibration behavior of a CNS with arbitrary boundary conditions. The equivalent parameters used for modeling the carbon nanotubes are implemented to simulate the CNS. The interactions between the layers of CNS due to van der Waals forces are included in the model. The uniformly distributed translational and torsional springs along the boundaries are considered to achieve a unified solution for different boundary conditions. To study the vibration characteristics of CNS, total energy including strain energy, kinetic energy, and van der Waals energy are minimized using the Rayleigh-Ritz technique. The first-order shear deformation theory has been utilized to model the shell. Chebyshev polynomials of first kind are used to obtain the eigenvalue matrices. The natural frequencies and corresponding mode shapes of CNS in different boundary conditions are evaluated. The effect of electric field in axial direction on the natural frequencies and mode shapes of CNS is investigated. The results indicate that, as the electric field increases, the natural frequencies decrease.

  11. Alpha-transfer reactions and the pairing-vibration model

    International Nuclear Information System (INIS)

    Betts, R.R.

    1977-01-01

    The pairing-vibration model with isospin is extended to include α-transfer reactions. Selection rules and expressions for transition strengths are derived and compared with experimental results for A = 40--66 nuclei. The selection rules are found to be followed quite well in the examples studied. The systematics of ground-state transition strengths are qualitatively quite well reproduced although the quantitative agreement is poor. When the changing nature of the pairing quanta is incorporated using two-particle transfer data the agreement becomes quantitatively good. Evidence is presented for clustering other than that due to pairing in 40 Ca and 44 Ti

  12. Coupled channel analysis of the 142Ce (α,α)142Ce* reaction: study of a vibrational-rotational transition nucleus

    International Nuclear Information System (INIS)

    Appoloni, C.R.

    1983-01-01

    The angular distribution of the elastic and inelastic scattering of a particles corresponding to the excitation of the low-lying collective states of 142 Ce were measured at an incident energy of 18.0 MeV. The angular distribution of the following excited states were obtained: 641, 1.219, 1.450, 1.536, 1.653, 1.742, 2.004, 2.043, 2.114, 2.125, 2.279, 2.364, 2.542, 2.604 e 3.067 MeV. The angular distributions of the ground state and the first six excited states were analysed within the flamework of the Anharmonic Vibrational and Symmetric Rotational Models, with the Coupled Channel Theory. The Anharmonic Vibrational Model gave the best and most complete description of the experimental data. The wave functions and the deformation parameters of the analysed states were determined. (Author) [pt

  13. Hualien forced vibration calculation with a finite element model

    International Nuclear Information System (INIS)

    Wang, F.; Gantenbein, F.; Nedelec, M.; Duretz, Ch.

    1995-01-01

    The forced vibration tests of the Hualien mock-up were useful to validate finite element models developed for soil-structure interaction. In this paper the two sets of tests with and without backfill were analysed. the methods used are based on finite element modeling for the soil. Two approaches were considered: calculation of soil impedance followed by the calculation of the transfer functions with a model taking into account the superstructure and the impedance; direct calculation of the soil-structure transfer functions, with the soil and the structure being represented in the same model by finite elements. Blind predictions and post-test calculations are presented and compared with the test results. (author). 4 refs., 8 figs., 2 tabs

  14. Quantum-mechanical study of energies, structures, and vibrational spectra of the H(D)Cl complexed with dimethyl ether

    Energy Technology Data Exchange (ETDEWEB)

    Boda, Łukasz, E-mail: lboda@chemia.uj.edu.pl; Boczar, Marek; Gług, Maciej; Wójcik, Marek J. [Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Kraków (Poland)

    2015-11-28

    Interaction energies, molecular structure and vibrational frequencies of the binary complex formed between H(D)Cl and dimethyl ether have been obtained using quantum-chemical methods. Equilibrium and vibrationally averaged structures, harmonic and anharmonic wavenumbers of the complex and its deuterated isotopomer were calculated using harmonic and anharmonic second-order perturbation theory procedures with Density Functional Theory B3LYP and B2PLYP-D and ab initio Møller-Plesset second-order methods, and a 6-311++G(3d,3p) basis set. A phenomenological model describing anharmonic-type vibrational couplings within hydrogen bonds was developed to explain the unique broadening and fine structure, as well as the isotope effect of the Cl–H and Cl–D stretching IR absorption bands in the gaseous complexes with dimethyl ether, as an effect of hydrogen bond formation. Simulations of the rovibrational structure of the Cl–H and Cl–D stretching bands were performed and the results were compared with experimental spectra.

  15. Modelling nuclear fuel vibrations in horizontal CANDU reactors

    International Nuclear Information System (INIS)

    Jagannath, D.V.; Oldaker, I.E.

    1976-01-01

    Flow-induced fuel vibrations in the pressure tubes of CANDU reactors are of vital interest to designers because fretting damage may result. Computer simulation is being used to study how bundles vibrate and to identify bundle design features which will reduce vibration and hence fretting. (author)

  16. Crystal anharmonicity in Li(H,D) and Na(H,D) systems

    International Nuclear Information System (INIS)

    Islam, A.K.M.A.; Haque, E.; Azad, A.S.

    1993-05-01

    The reliability of our recently developed potential model is tested by extending the study to various anharmonic properties, e.g., third order elastic constants, fourth order elastic constants, Grueneisen parameters, and the pressure derivatives of second order elastic constants of hydrides and deuterides of lithium and sodium. A comparison of the calculated properties with the available experimental results and other theoretical estimates shows the validity and reliability of the derived potential in the study of crystal anharmonicities also. (author). 43 refs, 2 figs, 4 tabs

  17. Phonon anharmonicity and Gruneisen parameters of alpha-plutonium

    International Nuclear Information System (INIS)

    Filanovich, A.N.; Povzner, A.A.

    2015-01-01

    A self-consistent thermodynamic model of alpha-phase of plutonium is constructed. The calculations of thermal and elastic properties of α-Pu, carried out within this model, demonstrate that anomalously strong temperature dependence of the bulk modulus and unusually high value of the coefficient of thermal expansion of α-Pu are caused by its strong lattice anharmonicity. The isothermal and isobaric Gruneisen parameters of α-Pu and δ-Pu Pu_0_._9_6Ga_0_._0_4 are calculated. It is shown that wide spread of the values of Gruneisen parameter of α-Pu, obtained previously from different experimental data, is explained by the dependence of Gruneisen parameter of α-Pu on temperature. - Highlights: • A self-consistent thermodynamic model of alpha-plutonium is developed. • Thermal and elastic properties of alpha-plutonium are calculated. • The reason of spread in the values of Gruneisen parameter of alpha-Pu is established. • Different types of phonon anharmonicity in alpha-Pu and delta-Pu are revealed.

  18. Quantum anharmonic oscillator: The airy function approach

    Energy Technology Data Exchange (ETDEWEB)

    Maiz, F., E-mail: fethimaiz@gmail.com [King Khalid University, Faculty of Science, Physics Department, PO Box 9004, Abha 61413, Asseer (Saudi Arabia); University of Cartage, Nabeul Engineering Preparatory Institute, Merazka, 8000 Nabeul (Tunisia); AlFaify, S. [King Khalid University, Faculty of Science, Physics Department, PO Box 9004, Abha 61413, Asseer (Saudi Arabia)

    2014-05-15

    New and simple numerical method is being reported to solve anharmonic oscillator problems. The method is setup to approach the real potential V(x) of the anharmonic oscillator system as a piecewise linear potential u(x) and to solve the Schrödinger equation of the system using the Airy function. Then, solutions continuity conditions lead to the energy quantification condition, and consequently, the energy eigenvalues. For testing purpose, the method was applied on the sextic and octic oscillators systems. The proposed method is found to be realistic, computationally simple, and having high degrees of accuracy. In addition, it can be applied to any form of potential. The results obtained by the proposed method were seen closely agreeing with results reached by other complicated methods.

  19. Stochastic modeling of friction force and vibration analysis of a mechanical system using the model

    International Nuclear Information System (INIS)

    Kang, Won Seok; Choi, Chan Kyu; Yoo, Hong Hee

    2015-01-01

    The squeal noise generated from a disk brake or chatter occurred in a machine tool primarily results from friction-induced vibration. Since friction-induced vibration is usually accompanied by abrasion and lifespan reduction of mechanical parts, it is necessary to develop a reliable analysis model by which friction-induced vibration phenomena can be accurately analyzed. The original Coulomb's friction model or the modified Coulomb friction model employed in most commercial programs employs deterministic friction coefficients. However, observing friction phenomena between two contact surfaces, one may observe that friction coefficients keep changing due to the unevenness of contact surface, temperature, lubrication and humidity. Therefore, in this study, friction coefficients are modeled as random parameters that keep changing during the motion of a mechanical system undergoing friction force. The integrity of the proposed stochastic friction model was validated by comparing the analysis results obtained by the proposed model with experimental results.

  20. Fast vibrational configuration interaction using generalized curvilinear coordinates and self-consistent basis.

    Science.gov (United States)

    Scribano, Yohann; Lauvergnat, David M; Benoit, David M

    2010-09-07

    In this paper, we couple a numerical kinetic-energy operator approach to the direct-vibrational self-consistent field (VSCF)/vibrational configuration interaction (VCI) method for the calculation of vibrational anharmonic frequencies. By combining this with fast-VSCF, an efficient direct evaluation of the ab initio potential-energy surface (PES), we introduce a general formalism for the computation of vibrational bound states of molecular systems exhibiting large-amplitude motion such as methyl-group torsion. We validate our approach on an analytical two-dimensional model and apply it to the methanol molecule. We show that curvilinear coordinates lead to a significant improvement in the VSCF/VCI description of the torsional frequency in methanol, even for a simple two-mode coupling expansion of the PES. Moreover, we demonstrate that a curvilinear formulation of the fast-VSCF/VCI scheme improves its speed by a factor of two and its accuracy by a factor of 3.

  1. Vibration analysis of continuous maglev guideways with a moving distributed load model

    International Nuclear Information System (INIS)

    Teng, N G; Qiao, B P

    2008-01-01

    A model of moving distributed load with a constant speed is established for vertical vibration analysis of a continuous guideway in maglev transportation system. The guideway is considered as a continuous structural system and the action of maglev vehicles on guideways is considered as a moving distributed load. Vibration of the continuous guideways used in Shanghai maglev line is analyzed with this model. The factors that affect the vibration of the guideways, such as speeds, guideway's spans, frequency and damping, are discussed

  2. Ambient vibrations of unstable rock slopes - insights from numerical modeling

    Science.gov (United States)

    Burjanek, Jan; Kleinbrod, Ulrike; Fäh, Donat

    2017-04-01

    The recent events in Nepal (2015 M7.8 Gorkha) and New Zealand (2016 M7.8 Kaikoura) highlighted the importance of earthquake-induced landslides, which caused significant damages. Moreover, landslide created dams present a potential developing hazard. In order to reduce the costly consequences of such events it is important to detect and characterize earthquake susceptible rock slope instabilities before an event, and to take mitigation measures. For the characterisation of instable slopes, acquisition of ambient vibrations might be a new alternative to the already existing methods. We present both observations and 3D numerical simulations of the ambient vibrations of unstable slopes. In particular, models of representative real sites have been developed based on detailed terrain mapping and used for the comparison between synthetics and observations. A finite-difference code has been adopted for the seismic wave propagation in a 3D inhomogeneous visco-elastic media with irregular free surface. It utilizes a curvilinear grid for a precise modeling of curved topography and local mesh refinement to make computational mesh finer near the free surface. Topographic site effects, controlled merely by the shape of the topography, do not explain the observed seismic response. In contrast, steeply-dipping compliant fractures have been found to play a key role in fitting observations. Notably, the synthetized response is controlled by inertial mass of the unstable rock, and by stiffness, depth and network density of the fractures. The developed models fit observed extreme amplification levels (factors of 70!) and show directionality as well. This represents a possibility to characterize slope structure and infer depth or volume of the slope instability from the ambient noise recordings in the future.

  3. Forced vibration tests of a model foundation on rock ground

    International Nuclear Information System (INIS)

    Kisaki, N.; Siota, M.; Yamada, M.; Ikeda, A.; Tsuchiya, H.; Kitazawa, K.; Kuwabara, Y.; Ogiwara, Y.

    1983-01-01

    The response of very stiff structures, such as nuclear reactor buildings, to earthquake ground motion is significantly affected by radiation damping due to the soil-structure interaction. The radiation damping can be computed by vibration admittance theory or dynamical ground compliance theory. In order to apply the values derived from these theories to the practical problems, comparative studies between theoretical results and experimental results concerning the soil-structure interaction, especially if the ground is rock, are urgently needed. However, experimental results for rock are less easily obtained than theoretical ones. The purpose of this paper is to describe the harmonic excitation tests of a model foundation on rock and to describe the results of comparative studies. (orig./HP)

  4. Power flow prediction in vibrating systems via model reduction

    Science.gov (United States)

    Li, Xianhui

    This dissertation focuses on power flow prediction in vibrating systems. Reduced order models (ROMs) are built based on rational Krylov model reduction which preserve power flow information in the original systems over a specified frequency band. Stiffness and mass matrices of the ROMs are obtained by projecting the original system matrices onto the subspaces spanned by forced responses. A matrix-free algorithm is designed to construct ROMs directly from the power quantities at selected interpolation frequencies. Strategies for parallel implementation of the algorithm via message passing interface are proposed. The quality of ROMs is iteratively refined according to the error estimate based on residual norms. Band capacity is proposed to provide a priori estimate of the sizes of good quality ROMs. Frequency averaging is recast as ensemble averaging and Cauchy distribution is used to simplify the computation. Besides model reduction for deterministic systems, details of constructing ROMs for parametric and nonparametric random systems are also presented. Case studies have been conducted on testbeds from Harwell-Boeing collections. Input and coupling power flow are computed for the original systems and the ROMs. Good agreement is observed in all cases.

  5. Vibration Signal Forecasting on Rotating Machinery by means of Signal Decomposition and Neurofuzzy Modeling

    Directory of Open Access Journals (Sweden)

    Daniel Zurita-Millán

    2016-01-01

    Full Text Available Vibration monitoring plays a key role in the industrial machinery reliability since it allows enhancing the performance of the machinery under supervision through the detection of failure modes. Thus, vibration monitoring schemes that give information regarding future condition, that is, prognosis approaches, are of growing interest for the scientific and industrial communities. This work proposes a vibration signal prognosis methodology, applied to a rotating electromechanical system and its associated kinematic chain. The method combines the adaptability of neurofuzzy modeling with a signal decomposition strategy to model the patterns of the vibrations signal under different fault scenarios. The model tuning is performed by means of Genetic Algorithms along with a correlation based interval selection procedure. The performance and effectiveness of the proposed method are validated experimentally with an electromechanical test bench containing a kinematic chain. The results of the study indicate the suitability of the method for vibration forecasting in complex electromechanical systems and their associated kinematic chains.

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

    Science.gov (United States)

    Kellman, Michael E; Tyng, Vivian

    2007-04-01

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

  7. Lightweight Vehicle and Driver’s Whole-Body Models for Vibration Analysis

    Science.gov (United States)

    MdSah, Jamali; Taha, Zahari; Azwan Ismail, Khairul

    2018-03-01

    Vehicle vibration is a main factor for driving fatigue, discomfort and health problems. The ability to simulate the vibration characteristics in the vehicle and its effects on driver’s whole-body vibration will give significant advantages to designers especially on the vehicle development time and cost. However, it is difficult to achieve optimal condition of ride comfort and handling when using passive suspension system. This paper presents mathematical equations that can be used to describe the vibration characteristics of a lightweight electric vehicle that had been developed. The vehicle’s model was combined with the lumped-parameter model of driver to determine the whole-body vibration level when the vehicle is passing over a road hump using Matlab Simulink. The models were simulated at a constant speed and the results were compared with the experimental data. The simulated vibration level at the vehicle floor and seat were almost similar to the experimental vibration results. The suspension systems that are being used for the solar vehicle are able to reduce the vibration level due to the road hump. The models can be used to simulate and choose the optimal parameters for the suspensions.

  8. Implementation of a vibrationally linked chemical reaction model for DSMC

    Science.gov (United States)

    Carlson, A. B.; Bird, Graeme A.

    1994-01-01

    A new procedure closely linking dissociation and exchange reactions in air to the vibrational levels of the diatomic molecules has been implemented in both one- and two-dimensional versions of Direct Simulation Monte Carlo (DSMC) programs. The previous modeling of chemical reactions with DSMC was based on the continuum reaction rates for the various possible reactions. The new method is more closely related to the actual physics of dissociation and is more appropriate to the particle nature of DSMC. Two cases are presented: the relaxation to equilibrium of undissociated air initially at 10,000 K, and the axisymmetric calculation of shuttle forebody heating during reentry at 92.35 km and 7500 m/s. Although reaction rates are not used in determining the dissociations or exchange reactions, the new method produces rates which agree astonishingly well with the published rates derived from experiment. The results for gas properties and surface properties also agree well with the results produced by earlier DSMC models, equilibrium air calculations, and experiment.

  9. Two-Dimensional Infrared Study of Vibrational Coupling between Azide and Nitrile Reporters in a RNA Nucleoside.

    Science.gov (United States)

    Schmitz, Andrew J; Hogle, David G; Gai, Xin Sonia; Fenlon, Edward E; Brewer, Scott H; Tucker, Matthew J

    2016-09-08

    The vibrations in the azide, N3, asymmetric stretching region and nitrile, CN, symmetric stretching region of 2'-azido-5-cyano-2'-deoxyuridine (N3CNdU) are examined by two-dimensional infrared (2D IR) spectroscopy. At earlier waiting times, the 2D IR spectrum shows the presence of both vibrational transitions along the diagonal and off-diagonal cross peaks indicating vibrational coupling. The coupling strength is determined from the off-diagonal anharmonicity to be 66 cm(-1) for the intramolecular distance of ∼7.9 Å, based on a structural map generated for this model system. In addition, the frequency-frequency correlation decay is detected, monitoring the solvent dynamics around each individual probe position. Overall, these vibrational reporters can be utilized in tandem to simultaneously track global structural information and fast structural fluctuations.

  10. State-to-state models of vibrational relaxation in Direct Simulation Monte Carlo (DSMC)

    Science.gov (United States)

    Oblapenko, G. P.; Kashkovsky, A. V.; Bondar, Ye A.

    2017-02-01

    In the present work, the application of state-to-state models of vibrational energy exchanges to the Direct Simulation Monte Carlo (DSMC) is considered. A state-to-state model for VT transitions of vibrational energy in nitrogen and oxygen, based on the application of the inverse Laplace transform to results of quasiclassical trajectory calculations (QCT) of vibrational energy transitions, along with the Forced Harmonic Oscillator (FHO) state-to-state model is implemented in DSMC code and applied to flows around blunt bodies. Comparisons are made with the widely used Larsen-Borgnakke model and the in uence of multi-quantum VT transitions is assessed.

  11. Wind Turbine Tower Vibration Modeling and Monitoring by the Nonlinear State Estimation Technique (NSET

    Directory of Open Access Journals (Sweden)

    Peng Guo

    2012-12-01

    Full Text Available With appropriate vibration modeling and analysis the incipient failure of key components such as the tower, drive train and rotor of a large wind turbine can be detected. In this paper, the Nonlinear State Estimation Technique (NSET has been applied to model turbine tower vibration to good effect, providing an understanding of the tower vibration dynamic characteristics and the main factors influencing these. The developed tower vibration model comprises two different parts: a sub-model used for below rated wind speed; and another for above rated wind speed. Supervisory control and data acquisition system (SCADA data from a single wind turbine collected from March to April 2006 is used in the modeling. Model validation has been subsequently undertaken and is presented. This research has demonstrated the effectiveness of the NSET approach to tower vibration; in particular its conceptual simplicity, clear physical interpretation and high accuracy. The developed and validated tower vibration model was then used to successfully detect blade angle asymmetry that is a common fault that should be remedied promptly to improve turbine performance and limit fatigue damage. The work also shows that condition monitoring is improved significantly if the information from the vibration signals is complemented by analysis of other relevant SCADA data such as power performance, wind speed, and rotor loads.

  12. Approximation methods for the partition functions of anharmonic systems

    International Nuclear Information System (INIS)

    Lew, P.; Ishida, T.

    1979-07-01

    The analytical approximations for the classical, quantum mechanical and reduced partition functions of the diatomic molecule oscillating internally under the influence of the Morse potential have been derived and their convergences have been tested numerically. This successful analytical method is used in the treatment of anharmonic systems. Using Schwinger perturbation method in the framework of second quantization formulism, the reduced partition function of polyatomic systems can be put into an expression which consists separately of contributions from the harmonic terms, Morse potential correction terms and interaction terms due to the off-diagonal potential coefficients. The calculated results of the reduced partition function from the approximation method on the 2-D and 3-D model systems agree well with the numerical exact calculations

  13. Anharmonicity, mechanical instability, and thermodynamic properties of the Cr-Re σ-phase

    Energy Technology Data Exchange (ETDEWEB)

    Palumbo, Mauro, E-mail: mauro.palumbo@rub.de; Fries, Suzana G. [ICAMS, Ruhr University Bochum, Universität Str. 150, D-44801 Bochum (Germany); Pasturel, Alain [SIMAP, UMR CNRS-INPG-UJF 5266, BP 75, F-38402 Saint Martin d’Hères (France); Alfè, Dario [Department of Earth Sciences, Department of Physics and Astronomy, London Centre for Nanotechnology and Thomas Young Centre-UCL, University College London, Gower Street, London WC1E 6BT (United Kingdom)

    2014-04-14

    Using density-functional theory in combination with the direct force method and molecular dynamics we investigate the vibrational properties of a binary Cr-Re σ-phase. In the harmonic approximation, we have computed phonon dispersion curves and density of states, evidencing structural and chemical effects. We found that the σ-phase is mechanically unstable in some configurations, for example, when all crystallographic sites are occupied by Re atoms. By using a molecular-dynamics-based method, we have analysed the anharmonicity in the system and found negligible effects (∼0.5 kJ/mol) on the Helmholtz energy of the binary Cr-Re σ-phase up to 2000 K (∼0.8T{sub m}). Finally, we show that the vibrational contribution has significant consequences on the disordering of the σ-phase at high temperature.

  14. Analysis of whole-body vibration on rheological models for tissues

    Science.gov (United States)

    Neamţu, A.; Simoiu, D.; Nyaguly, E.; Crastiu, I.; Bereteu, L.

    2018-01-01

    Whole body vibrations have become a very popular method in recent years, both in physical therapy and in sports. This popularity is due to the fact that, as a result of analyzing the groups of subjects, the effects of small amplitude vibration and low frequency vibration, it was found an increase in the force developed by the feet, a hardening of bone strength or an increase in bone density. In this paper we propose to give a possible explanation of the stress relieving in muscle and/or bone after whole body vibration treatment. To do this we consider some rheological models which after whole body vibrations and after the analysis of their response lead to various experiments.

  15. Fault Detection of Reciprocating Compressors using a Model from Principles Component Analysis of Vibrations

    International Nuclear Information System (INIS)

    Ahmed, M; Gu, F; Ball, A D

    2012-01-01

    Traditional vibration monitoring techniques have found it difficult to determine a set of effective diagnostic features due to the high complexity of the vibration signals originating from the many different impact sources and wide ranges of practical operating conditions. In this paper Principal Component Analysis (PCA) is used for selecting vibration feature and detecting different faults in a reciprocating compressor. Vibration datasets were collected from the compressor under baseline condition and five common faults: valve leakage, inter-cooler leakage, suction valve leakage, loose drive belt combined with intercooler leakage and belt loose drive belt combined with suction valve leakage. A model using five PCs has been developed using the baseline data sets and the presence of faults can be detected by comparing the T 2 and Q values from the features of fault vibration signals with corresponding thresholds developed from baseline data. However, the Q -statistic procedure produces a better detection as it can separate the five faults completely.

  16. Research on torsional vibration modelling and control of printing cylinder based on particle swarm optimization

    Science.gov (United States)

    Wang, Y. M.; Xu, W. C.; Wu, S. Q.; Chai, C. W.; Liu, X.; Wang, S. H.

    2018-03-01

    The torsional oscillation is the dominant vibration form for the impression cylinder of printing machine (printing cylinder for short), directly restricting the printing speed up and reducing the quality of the prints. In order to reduce torsional vibration, the active control method for the printing cylinder is obtained. Taking the excitation force and moment from the cylinder gap and gripper teeth open & closing cam mechanism as variable parameters, authors establish the dynamic mathematical model of torsional vibration for the printing cylinder. The torsional active control method is based on Particle Swarm Optimization(PSO) algorithm to optimize input parameters for the serve motor. Furthermore, the input torque of the printing cylinder is optimized, and then compared with the numerical simulation results. The conclusions are that torsional vibration active control based on PSO is an availability method to the torsional vibration of printing cylinder.

  17. Vibrational relaxation in liquids: Comparisons between gas phase and liquid phase theories

    International Nuclear Information System (INIS)

    Russell, D.J.

    1990-12-01

    The vibrational relaxation of iodine in liquid xenon was studied to understand what processes are important in determining the density dependence of the vibrational relaxation. This examination will be accomplished by taking simple models and comparing the results to both experimental outcomes and the predictions of molecular dynamics simulations. The vibration relaxation of iodine is extremely sensitive to the iodine potential. The anharmonicity of iodine causes vibrational relaxation to be much faster at the top of the iodine well compared to the vibrational relaxation at the bottom. A number of models are used in order to test the ability of the Isolated Binary Collision theory's ability to predict the density dependence of the vibrational relaxation of iodine in liquid xenon. The models tested vary from the simplest incorporating only the fact that the solvent occupies volume to models that incorporate the short range structure of the liquid in the radial distribution function. None of the models tested do a good job of predicting the actual relaxation rate for a given density. This may be due to a possible error in the choice of potentials to model the system

  18. Vibration analysis of continuous maglev guideways with a moving distributed load model

    Energy Technology Data Exchange (ETDEWEB)

    Teng, N G; Qiao, B P [Department of Civil Engineering, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai, 200240 (China)

    2008-02-15

    A model of moving distributed load with a constant speed is established for vertical vibration analysis of a continuous guideway in maglev transportation system. The guideway is considered as a continuous structural system and the action of maglev vehicles on guideways is considered as a moving distributed load. Vibration of the continuous guideways used in Shanghai maglev line is analyzed with this model. The factors that affect the vibration of the guideways, such as speeds, guideway's spans, frequency and damping, are discussed.

  19. FFTF scale-model characterization of flow-induced vibrational response of reactor internals

    International Nuclear Information System (INIS)

    Ryan, J.A.; Julyk, L.J.

    1977-01-01

    As an integral part of the Fast Test Reactor Vibration Program for Reactor Internals, the flow-induced vibrational characteristics of scaled Fast Test Reactor core internal and peripheral components were assessed under scaled and simulated prototype flow conditions in the Hydraulic Core Mockup. The Hydraulic Core Mockup, a 0.285 geometric scale model, was designed to model the vibrational and hydraulic characteristics of the Fast Test Reactor. Model component vibrational characteristics were measured and determined over a range of 36 percent to 111 percent of the scaled prototype design flow. Selected model and prototype components were shaker tested to establish modal characteristics. The dynamic response of the Hydraulic Core Mockup components exhibited no anomalous flow-rate dependent or modal characteristics, and prototype response predictions were adjudged acceptable

  20. FFTF scale-model characterization of flow induced vibrational response of reactor internals

    Energy Technology Data Exchange (ETDEWEB)

    Ryan, J A; Julyk, L J [Hanford Engineering Development Laboratory, Richland, WA (United States)

    1977-12-01

    As an integral part of the Fast Test Reactor Vibration Program for Reactor Internals, the flow-induced vibrational characteristics of scaled Fast Test Reactor core internal and peripheral components were assessed under scaled and simulated prototype flow conditions in the Hydraulic Core Mockup. The Hydraulic Core Mockup, a 0.285 geometric scale model, was designed to model the vibrational and hydraulic characteristics of the Fast Test Reactor. Model component vibrational characteristics were measured and determined over a range of 36% to 111% of the scaled prototype design flow. Selected model and prototype components were shaker tested to establish modal characteristics. The dynamic response of the Hydraulic Core Mockup components exhibited no anomalous flow-rate dependent or modal characteristics, and prototype response predictions were adjudged acceptable. (author)

  1. FFTF scale-model characterization of flow induced vibrational response of reactor internals

    International Nuclear Information System (INIS)

    Ryan, J.A.; Julyk, L.J.

    1977-01-01

    As an integral part of the Fast Test Reactor Vibration Program for Reactor Internals, the flow-induced vibrational characteristics of scaled Fast Test Reactor core internal and peripheral components were assessed under scaled and simulated prototype flow conditions in the Hydraulic Core Mockup. The Hydraulic Core Mockup, a 0.285 geometric scale model, was designed to model the vibrational and hydraulic characteristics of the Fast Test Reactor. Model component vibrational characteristics were measured and determined over a range of 36% to 111% of the scaled prototype design flow. Selected model and prototype components were shaker tested to establish modal characteristics. The dynamic response of the Hydraulic Core Mockup components exhibited no anomalous flow-rate dependent or modal characteristics, and prototype response predictions were adjudged acceptable. (author)

  2. Electromagnetic Vibration Energy Harvesting Devices Architectures, Design, Modeling and Optimization

    CERN Document Server

    Spreemann, Dirk

    2012-01-01

    Electromagnetic vibration transducers are seen as an effective way of harvesting ambient energy for the supply of sensor monitoring systems. Different electromagnetic coupling architectures have been employed but no comprehensive comparison with respect to their output performance has been carried out up to now. Electromagnetic Vibration Energy Harvesting Devices introduces an optimization approach which is applied to determine optimal dimensions of the components (magnet, coil and back iron). Eight different commonly applied coupling architectures are investigated. The results show that correct dimensions are of great significance for maximizing the efficiency of the energy conversion. A comparison yields the architectures with the best output performance capability which should be preferably employed in applications. A prototype development is used to demonstrate how the optimization calculations can be integrated into the design–flow. Electromagnetic Vibration Energy Harvesting Devices targets the design...

  3. Anharmonic potential in the oscillator representation

    International Nuclear Information System (INIS)

    Dineykhan, M.; Efimov, G.V.

    1994-01-01

    In the non relativistic and relativized Schroedinger equation the Wick ordering method called the oscillator representation is proposed to calculate the energy spectrum for a wide class of potentials allowing the existence of a bound state. The oscillator representation method gives a unique regular way to describe and calculate the energy levels of ground as well as orbital and radial excitation states for a wide class of potentials. The results of the zeroth approximation oscillator representation are in good agreement with the exact values for the anharmonic potentials. The oscillator representation method was applied to the relativized Schroedinger equation too. The perturbation series converges fairly fast, i.e., the highest perturbation corrections over the interaction Hamiltonian are small enough. 29 refs.; 4 tabs. (author)

  4. Modelling of electronic and vibrational properties of carbon nanostructures

    Science.gov (United States)

    Margine, Elena Roxana

    The main goals of this dissertation work are the analysis and prediction of the properties of nanoscale carbon materials which hold great potential for nanotechnological applications such as strong conductive composites, field-effect transistors, diodes, rechargeable batteries, etc. Some of these exciting applications are already being actively developed, however their design via trial-and-error experimentation is often difficult and expensive. State-of-the-art simulation methods can be used as a powerful tool to streamline the path to practical implementations. In this thesis I use ab initio quantum-mechanical calculations to explore the response of nanoscale carbon materials to doping. A brief overview of the theoretical methods and of some basic concepts on carbon nanotubes are given in the first two chapters. In Chapter 3 we study the effect of doping in double-walled carbon nanotubes. These systems can be considered as nanoscale capacitors since they have two conducting (or semi-conducting) shells. The experimental work of our collaborators demonstrated for the first time that such a capacitor can be realized by the adsorption of bromine anions at the surface of the outer tube. Our theoretical analysis of the experimental results revealed that this quantum system, surprisingly, behaves exactly as the classical Faraday cage: the electric charge always resides on the outside surface of the conductor, even when the pristine tubes are not metallic. In Chapter 4 I present our findings on the phonon frequencies' response to electron doping in single-walled carbon nanotubes. It is well established that when graphite is doped with electrons, carbon-carbon bonds lengthen and all vibrational frequencies soften. However, in semiconducting carbon nanotubes, the frequency of one mode increases at low levels of alkali doping. Having carefully modelled the process with ab initio methods we conclude that the unusual behavior of the vibrational mode depends on which electronic

  5. Parallel two-phase-flow-induced vibrations in fuel pin model

    International Nuclear Information System (INIS)

    Hara, Fumio; Yamashita, Tadashi

    1978-01-01

    This paper reports the experimental results of vibrations of a fuel pin model -herein meaning the essential form of a fuel pin from the standpoint of vibration- in a parallel air-and-water two-phase flow. The essential part of the experimental apparatus consisted of a flat elastic strip made of stainless steel, both ends of which were firmly supported in a circular channel conveying the two-phase fluid. Vibrational strain of the fuel pin model, pressure fluctuation of the two-phase flow and two-phase-flow void signals were measured. Statistical measures such as power spectral density, variance and correlation function were calculated. The authors obtained (1) the relation between variance of vibrational strain and two-phase-flow velocity, (2) the relation between variance of vibrational strain and two-phase-flow pressure fluctuation, (3) frequency characteristics of variance of vibrational strain against the dominant frequency of the two-phase-flow pressure fluctuation, and (4) frequency characteristics of variance of vibrational strain against the dominant frequency of two-phase-flow void signals. The authors conclude that there exist two kinds of excitation mechanisms in vibrations of a fuel pin model inserted in a parallel air-and-water two-phase flow; namely, (1) parametric excitation, which occurs when the fundamental natural frequency of the fuel pin model is related to the dominant travelling frequency of water slugs in the two-phase flow by the ratio 1/2, 1/1, 3/2 and so on; and (2) vibrational resonance, which occurs when the fundamental frequency coincides with the dominant frequency of the two-phase-flow pressure fluctuation. (auth.)

  6. A modified wake oscillator model for predicting vortex induced vibration of heat exchanger tube

    International Nuclear Information System (INIS)

    Feng Zhipeng; Zang Fenggang; Zhang Yixiong; Ye Xianhui

    2014-01-01

    Base on the classical wake oscillator model, a new modified wake oscillator model is proposed, for predicting vortex induced vibration of heat exchanger tube in uniform current. The comparison between the new wake oscillator model and experimental show that the present model can simulate the characteristics of vortex induced vibration of tube. Firstly, the research shows that the coupled fluid-structure dynamical system should be modeled by combined displacement and acceleration mode. Secondly, the empirical parameter in wake oscillator model depends on the material properties of the structure, instead of being a universal constant. Lastly, the results are compared between modified wake oscillator model and fluid-structure interaction numerical model. It shows the present, predicted results are compared to the fluid-structure interaction numerical data. The new modified wake oscillator model can predict the vortex induced heat exchanger tube vibration feasibly. (authors)

  7. A new online secondary path modeling method for adaptive active structure vibration control

    International Nuclear Information System (INIS)

    Pu, Yuxue; Zhang, Fang; Jiang, Jinhui

    2014-01-01

    This paper proposes a new variable step size FXLMS algorithm with an auxiliary noise power scheduling strategy for online secondary path modeling. The step size for the secondary path modeling filter and the gain of auxiliary noise are varied in accordance with the parameters available directly. The proposed method has a low computational complexity. Computer simulations show that an active vibration control system with the proposed method gives much better vibration attenuation and modeling accuracy at a faster convergence rate than existing methods. National Instruments’ CompactRIO is used as an embedded processor to control simply supported beam vibration. Experimental results indicate that the vibration of the beam has been effectively attenuated. (papers)

  8. Finite Element Modeling of Vibrations in Canvas Paintings

    NARCIS (Netherlands)

    Chiriboga Arroyo, P.G.

    2013-01-01

    Preventing vibration damage from occurring to valuable and sensitive canvas paintings is of main concern for museums and art conservation institutions. This concern has grown in recent years due to the increasing demand of paintings for exhibitions worldwide and the concomitant need for their

  9. Influence of tyre-road contact model on vehicle vibration response

    Science.gov (United States)

    Múčka, Peter; Gagnon, Louis

    2015-09-01

    The influence of the tyre-road contact model on the simulated vertical vibration response was analysed. Three contact models were compared: tyre-road point contact model, moving averaged profile and tyre-enveloping model. In total, 1600 real asphalt concrete and Portland cement concrete longitudinal road profiles were processed. The linear planar model of automobile with 12 degrees of freedom (DOF) was used. Five vibration responses as the measures of ride comfort, ride safety and dynamic load of cargo were investigated. The results were calculated as a function of vibration response, vehicle velocity, road quality and road surface type. The marked differences in the dynamic tyre forces and the negligible differences in the ride comfort quantities were observed among the tyre-road contact models. The seat acceleration response for three contact models and 331 DOF multibody model of the truck semi-trailer was compared with the measured response for a known profile of test section.

  10. Vibration tests and analyses of the reactor building model on a small scale

    International Nuclear Information System (INIS)

    Tsuchiya, Hideo; Tanaka, Mitsuru; Ogihara, Yukio; Moriyama, Ken-ichi; Nakayama, Masaaki

    1985-01-01

    The purpose of this paper is to describe the vibration tests and the simulation analyses of the reactor building model on a small scale. The model vibration tests were performed to investigate the vibrational characteristics of the combined super-structure and to verify the computor code based on Dr. H. Tajimi's Thin Layered Element Theory, using the uniaxial shaking table (60 cm x 60 cm). The specimens consist of ground model, three structural model (prestressed concrete containment vessel, inner concrete structure, and enclosure building), a combined structural model and a combined structure-soil interaction model. These models are made of silicon-rubber, and they have a scale of 1:600. Harmonic step by step excitation of 40 gals was performed to investigate the vibrational characteristics for each structural model. The responses of the specimen to harmonic excitation were measured by optical displacement meters, and analyzed by a real time spectrum analyzer. The resonance and phase lag curves of the specimens to the shaking table were obtained respectively. As for the tests of a combined structure-soil interaction model, three predominant frequencies were observed in the resonance curves. These values were in good agreement with the analytical transfer function curves on the computer code. From the vibration tests and the simulation analyses, the silicon-rubber model test is useful for the fundamental study of structural problems. The computer code based on the Thin Element Theory can simulate well the test results. (Kobozono, M.)

  11. Time evolution of gibbs states for an anharmonic lattice

    Energy Technology Data Exchange (ETDEWEB)

    Marchioro, C; Pellegrinotti, A; Suhov, Y [Camerino Univ. (Italy). Istituto di Matematica; Pulvirenti, M [L' Aquila Univ. (Italy). Istituto di Matematica; Rome Univ. (Italy). Istituto di Matematica)

    1979-01-01

    In this paper we study the time evolution of a regular class of states of an infinite classical system of anharmonic oscillators. The conditional probabilities are investigated and an explicit form for these is given.

  12. Dynamic of cold-atom tips in anharmonic potentials

    Science.gov (United States)

    Menold, Tobias; Federsel, Peter; Rogulj, Carola; Hölscher, Hendrik; Fortágh, József

    2016-01-01

    Background: Understanding the dynamics of ultracold quantum gases in an anharmonic potential is essential for applications in the new field of cold-atom scanning probe microscopy. Therein, cold atomic ensembles are used as sensitive probe tips to investigate nanostructured surfaces and surface-near potentials, which typically cause anharmonic tip motion. Results: Besides a theoretical description of this anharmonic tip motion, we introduce a novel method for detecting the cold-atom tip dynamics in situ and real time. In agreement with theory, the first measurements show that particle interactions and anharmonic motion have a significant impact on the tip dynamics. Conclusion: Our findings will be crucial for the realization of high-sensitivity force spectroscopy with cold-atom tips and could possibly allow for the development of advanced spectroscopic techniques such as Q-control. PMID:28144505

  13. Time evolution of gibbs states for an anharmonic lattice

    International Nuclear Information System (INIS)

    Marchioro, C.; Pellegrinotti, A.; Suhov, Y.; Pulvirenti, M.; Rome Univ.

    1979-01-01

    In this paper we study the time evolution of a regular class of states of an infinite classical system of anharmonic oscillators. The conditional probabilities are investigated and an explicit form for these is given. (orig.) [de

  14. Effects of hypersonic field and anharmonic interactions on channelling radiation

    International Nuclear Information System (INIS)

    George, Juby; Pathak, Anand P; Goteti, L N S Prakash; Nagamani, G

    2007-01-01

    The effects of a hypersonic field on positron channelling radiation are considered. Anharmonic effects of the transverse potential induced by these longitudinal fields are incorporated and the wavefunction of the planar channelled positron is found by the solution of Dirac equation under the resonant influence of hypersound. An expression for the resonant frequency is estimated. The transition probabilities and the intensity of the channelling radiation are also calculated. It is found that the anharmonic effects change the spectral distributions considerably

  15. Ground state energy values and moments of the anharmonic oscillator

    International Nuclear Information System (INIS)

    Seetharaman, M.; Raghavan, Sekhar; Subba Rao, G.

    1981-01-01

    It is shown that a very satisfactory estimate of the energy values (for all values of the anharmonicity) and moments of the ground state of the quartic anharmonic oscillator can be obtained in the variational method, by considering trial wavefunctions which have the correct asymptotic properties. The results derived with a single variational parameter are a considerable improvement over the recent results of C.A. Ginsburg and E.W. Montroll (1978). (author)

  16. Nonlinear modeling of tuned liquid dampers (TLDs) in rotating wind turbine blades for damping edgewise vibrations

    DEFF Research Database (Denmark)

    Zhang, Zili; Nielsen, Søren R. K.; Basu, Biswajit

    2015-01-01

    Tuned liquid dampers (TLDs) utilize the sloshing motion of the fluid to suppress structural vibrations and become a natural candidate for damping vibrations in rotating wind turbine blades. The centrifugal acceleration at the tip of a wind turbine blade can reach a magnitude of 7–8g. This facilit......Tuned liquid dampers (TLDs) utilize the sloshing motion of the fluid to suppress structural vibrations and become a natural candidate for damping vibrations in rotating wind turbine blades. The centrifugal acceleration at the tip of a wind turbine blade can reach a magnitude of 7–8g...... free-surface elevation equally well, the one-mode model can still be utilized for the design of TLD. Parametric optimization of the TLD is carried out based on the one-mode model, and the optimized damper effectively improves the dynamic response of wind turbine blades....

  17. Scale-model characterization of flow-induced vibrational response of FFTF reactor internals

    International Nuclear Information System (INIS)

    Ryan, J.A.; Mahoney, J.J.

    1980-10-01

    Fast Test Reactor core internal and peripheral components were assessed for flow-induced vibrational characteristics under scaled and simulated prototype flow conditions in the Hydraulic Core Mockup as an integral part of the Fast Test Reactor Vibration Program. The Hydraulic Core Mockup was an 0.285 geometric scale model of the Fast Test Reactor internals designed to simulate prototype vibrational and hydraulic characteristics. Using water to simulate sodium coolant, vibrational characteristics were measured and determined for selected model components over the scaled flow range of 36 to 110%. Additionally, in-situ shaker tests were conducted on selected Hydraulic Core Mockup outlet plenum components to establish modal characteristics. Most components exhibited resonant response at all test flow rates; however, the measured dynamic response was neither abnormal nor anomalously flow-rate dependent, and the predicted prototype components' response were deemed acceptable

  18. Modelling and Analysis of Vibrations in a UAV Helicopter with a Vision System

    Directory of Open Access Journals (Sweden)

    G. Nicolás Marichal Plasencia

    2012-11-01

    Full Text Available The analysis of the nature and damping of unwanted vibrations on Unmanned Aerial Vehicle (UAV helicopters are important tasks when images from on-board vision systems are to be obtained. In this article, the authors model a UAV system, generate a range of vibrations originating in the main rotor and design a control methodology in order to damp these vibrations. The UAV is modelled using VehicleSim, the vibrations that appear on the fuselage are analysed to study their effects on the on-board vision system by using Simmechanics software. Following this, the authors present a control method based on an Adaptive Neuro-Fuzzy Inference System (ANFIS to achieve satisfactory damping results over the vision system on board.

  19. A comprehensive model for the prediction of vibrations due to underground railway traffic: formulation and validation

    International Nuclear Information System (INIS)

    Costa, Pedro Alvares; Cardoso Silva, Antonio; Calçada, Rui; Lopes, Patricia; Fernandez, Jesus

    2016-01-01

    n this communication, a numerical approach for the prediction of vibrations induced in buildings due to railway traffic in tunnels is presented. The numerical model is based on the concept of dynamic sub structuring, being composed by three autonomous models to simulate the following main parts of the problem: i) generation of vibrations (train-track interaction); ii) propagation of vibrations (track - tunnel-ground system); iii) reception of vibrations (building coupled to the ground). The methodology proposed allows dealing with the three-dimensional characteristics of the problem with a reasonable computational effort [ 1 , 2 ] . After the brief description of the model, its experimental validation is performed. For that, a case study about vibrations inside of a building close to a shallow railway tunnel in Madrid are simulated and the experimental data [ 3 ] is compared with the predicted results [ 4 ]. Finally, the communication finishes with some insights about the potentialities and challenges of this numerical modelling approach on the prediction of the behavior of ancient structures subjected to vibrations induced by human sources (railway and road traffic, pile driving, etc)

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

    Science.gov (United States)

    Van Dyke, Michael B.

    2013-01-01

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

  1. Comparison of vibration test results for Atucha II NPP and large scale concrete block models

    International Nuclear Information System (INIS)

    Iizuka, S.; Konno, T.; Prato, C.A.

    2001-01-01

    In order to study the soil structure interaction of reactor building that could be constructed on a Quaternary soil, a comparison study of the soil structure interaction springs was performed between full scale vibration test results of Atucha II NPP and vibration test results of large scale concrete block models constructed on Quaternary soil. This comparison study provides a case data of soil structure interaction springs on Quaternary soil with different foundation size and stiffness. (author)

  2. Modelling and processing of data from a fibre-optic sensor of vibrations

    International Nuclear Information System (INIS)

    Morawski, R Z; Makowski, P L; Michalik, L; Domanski, A W

    2010-01-01

    A new technique of vibration sensing, based on a polarimetric fibre-optic strain sensor, is presented; it is designed for localisation of multiple sources of disturbances in a broad spectrum without using fibre gratings. A mathematical model of the sensor is used for development of a variational method for estimation of amplitudes of component vibrations on the basis of noisy samples of the voltage at the output of the sensor.

  3. Anharmonicity and Disorder in the Black Phases of Cesium Lead Iodide Used for Stable Inorganic Perovskite Solar Cells.

    Science.gov (United States)

    Marronnier, Arthur; Roma, Guido; Boyer-Richard, Soline; Pedesseau, Laurent; Jancu, Jean-Marc; Bonnassieux, Yvan; Katan, Claudine; Stoumpos, Constantinos C; Kanatzidis, Mercouri G; Even, Jacky

    2018-04-24

    Hybrid organic-inorganic perovskites emerged as a new generation of absorber materials for high-efficiency low-cost solar cells in 2009. Very recently, fully inorganic perovskite quantum dots also led to promising efficiencies, making them a potentially stable and efficient alternative to their hybrid cousins. Currently, the record efficiency is obtained with CsPbI 3 , whose crystallographical characterization is still limited. Here, we show through high-resolution in situ synchrotron XRD measurements that CsPbI 3 can be undercooled below its transition temperature and temporarily maintained in its perovskite structure down to room temperature, stabilizing a metastable perovskite polytype (black γ-phase) crucial for photovoltaic applications. Our analysis of the structural phase transitions reveals a highly anisotropic evolution of the individual lattice parameters versus temperature. Structural, vibrational, and electronic properties of all the experimentally observed black phases are further inspected based on several theoretical approaches. Whereas the black γ-phase is shown to behave harmonically around equilibrium, for the tetragonal phase, density functional theory reveals the same anharmonic behavior, with a Brillouin zone-centered double-well instability, as for the cubic phase. Using total energy and vibrational entropy calculations, we highlight the competition between all the low-temperature phases of CsPbI 3 (γ, δ, β) and show that avoiding the order-disorder entropy term arising from double-well instabilities is key to preventing the formation of the yellow perovskitoid phase. A symmetry-based tight-binding model, validated by self-consistent GW calculations including spin-orbit coupling, affords further insight into their electronic properties, with evidence of Rashba effect for both cubic and tetragonal phases when using the symmetry-breaking structures obtained through frozen phonon calculations.

  4. Raman scattering study of the anharmonic effects in CeO2-y nanocrystals

    Science.gov (United States)

    Popović, Z. V.; Dohčević-Mitrović, Z.; Cros, A.; Cantarero, A.

    2007-12-01

    We have studied the temperature dependence of the F2g Raman mode phonon frequency and broadening in CeO2-y nanocrystals. The phonon softening and phonon linewidth are calculated using a model which takes into account the three-and four-phonon anharmonic processes. A detailed comparison of the experimental data with theoretical calculations revealed the predominance of four-phonon anharmonic processes in the temperature dependence of the phonon energy and broadening of the nanocrystals. On the other hand, three-phonon processes dominate the temperature behavior of phonons in polycrystalline samples. The anti-Stokes/Stokes peak intensity ratio was also investigated and found to be smaller for nanosized CeO2 powders than in the bulk counterpart.

  5. Raman scattering study of the anharmonic effects in CeO2-y nanocrystals

    International Nuclear Information System (INIS)

    Popovic, Z V; Dohcevic-Mitrovic, Z; Cros, A; Cantarero, A

    2007-01-01

    We have studied the temperature dependence of the F 2g Raman mode phonon frequency and broadening in CeO 2-y nanocrystals. The phonon softening and phonon linewidth are calculated using a model which takes into account the three-and four-phonon anharmonic processes. A detailed comparison of the experimental data with theoretical calculations revealed the predominance of four-phonon anharmonic processes in the temperature dependence of the phonon energy and broadening of the nanocrystals. On the other hand, three-phonon processes dominate the temperature behavior of phonons in polycrystalline samples. The anti-Stokes/Stokes peak intensity ratio was also investigated and found to be smaller for nanosized CeO 2 powders than in the bulk counterpart

  6. Raman scattering study of the anharmonic effects in CeO{sub 2-y} nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Popovic, Z V [Center for Solid State Physics and New Materials, Institute of Physics, Pregrevica 118, 11080 Belgrade (Serbia); Dohcevic-Mitrovic, Z [Center for Solid State Physics and New Materials, Institute of Physics, Pregrevica 118, 11080 Belgrade (Serbia); Cros, A [Materials Science Institute, University of Valencia, P O Box 22085, E-46071, Valencia (Spain); Cantarero, A [Materials Science Institute, University of Valencia, P O Box 22085, E-46071, Valencia (Spain)

    2007-12-12

    We have studied the temperature dependence of the F{sub 2g} Raman mode phonon frequency and broadening in CeO{sub 2-y} nanocrystals. The phonon softening and phonon linewidth are calculated using a model which takes into account the three-and four-phonon anharmonic processes. A detailed comparison of the experimental data with theoretical calculations revealed the predominance of four-phonon anharmonic processes in the temperature dependence of the phonon energy and broadening of the nanocrystals. On the other hand, three-phonon processes dominate the temperature behavior of phonons in polycrystalline samples. The anti-Stokes/Stokes peak intensity ratio was also investigated and found to be smaller for nanosized CeO{sub 2} powders than in the bulk counterpart.

  7. Model-based failure detection for cylindrical shells from noisy vibration measurements.

    Science.gov (United States)

    Candy, J V; Fisher, K A; Guidry, B L; Chambers, D H

    2014-12-01

    Model-based processing is a theoretically sound methodology to address difficult objectives in complex physical problems involving multi-channel sensor measurement systems. It involves the incorporation of analytical models of both physical phenomenology (complex vibrating structures, noisy operating environment, etc.) and the measurement processes (sensor networks and including noise) into the processor to extract the desired information. In this paper, a model-based methodology is developed to accomplish the task of online failure monitoring of a vibrating cylindrical shell externally excited by controlled excitations. A model-based processor is formulated to monitor system performance and detect potential failure conditions. The objective of this paper is to develop a real-time, model-based monitoring scheme for online diagnostics in a representative structural vibrational system based on controlled experimental data.

  8. Numerical Modelling and Simulation of Dynamic Parameters for Vibration Driven Mobile Robot: Preliminary Study

    Science.gov (United States)

    Baharudin, M. E.; Nor, A. M.; Saad, A. R. M.; Yusof, A. M.

    2018-03-01

    The motion of vibration-driven robots is based on an internal oscillating mass which can move without legs or wheels. The oscillation of the unbalanced mass by a motor is translated into vibration which in turn produces vertical and horizontal forces. Both vertical and horizontal oscillations are of the same frequency but the phases are shifted. The vertical forces will deflect the bristles which cause the robot to move forward. In this paper, the horizontal motion direction caused by the vertically vibrated bristle is numerically simulated by tuning the frequency of their oscillatory actuation. As a preliminary work, basic equations for a simple off-centered vibration location on the robot platform and simulation model for vibration excitement are introduced. It involves both static and dynamic vibration analysis of robots and analysis of different type of parameters. In addition, the orientation of the bristles and oscillators are also analysed. Results from the numerical integration seem to be in good agreement with those achieved from the literature. The presented numerical integration modeling can be used for designing the bristles and controlling the speed and direction of the robot.

  9. The influence of molecular rotation on vibration--translation energy transfer

    International Nuclear Information System (INIS)

    McKenzie, R.L.

    1977-01-01

    The role of molecular rotations in the exchange of vibrational and translational energy is investigated for collisions between anharmonic diatomic molecules and structureless atoms. A three-dimensional, semiclassical, impact parameter description is applied with emphasis directed towards the influence of rotational coupling on the net rate of vibrational energy transfer summed over all final rotational states. These results are then related to the predictions of an equivalent collinear collision model, and their comparison allows an evaluation of the collinear approximation. The mechanisms of vibrational energy transfer including rotational transitions are shown to be separable into three classes, with the molecules belonging to each class identified first and foremost by their ratio of fundamental vibrational and rotational frequencies, ω/sub e//B/sub e/, and second by the proximity of their initial state to a near-resonant vibration--rotation transition with a small change in angular momentum. While the dynamics of molecules with ω/sub e//B/sub e/ ratios that are comparable to the range of angular momentum transitions having strong coupling are found to require a complete three-dimensional description, the rates of vibrational energy transfer in molecules with large ω/sub e//B/sub e/ ratios appear to be well approximated by a collinear collision model

  10. Determination of acoustic vibration in watermelon by finite element modeling

    Science.gov (United States)

    Nourain, Jamal; Ying, Yibin B.; Wang, Jianping; Rao, Xiuqin

    2004-11-01

    The analysis of the vibration responses of a fruit is suggested to measure firmness non-destructively. A wooden ball excited the fruits and the response signals were captured using an accelerometer sensor. The method has been well studied and understood on ellipsoidal shaped fruit (watermelon). In this work, using the finite element simulations, the applicability of the method on watermelon was investigated. The firmness index is dependent on the mass, density, and natural frequency of the lowest spherical modes (under free boundary conditions). This developed index extends the firmness estimation for fruits or vegetables from a spherical to an ellipsoidal shape. The mode of Finite element analysis (FEA) of watermelon was generated based on measured geometry, and it can be served as a theoretical reference for predicting the modal characteristics as a function of design parameters such as material, geometrical, and physical properties. It was found that there were four types of mode shapes. The 1st one was first-type longitudinal mode, the 2nd one was the second-type longitudinal mode, the 3rd one was breathing mode or pure compression mode, and the fourth was flexural or torsional mode shape. As suggested in many references, the First-type spherical vibration mode or oblate-Prolate for watermelon is the lowest bending modes, it's most likely related to fruit firmness. Comparisons of finite element and experimental modal parameters show that both results were agreed in mode shape as well as natural frequencies. In order to measure the vibration signal of the mode, excitation and sensors should be placed on the watermelon surface far away from the nodal lines. The excitation and the response sensors should be in accordance with vibration directions. The correlations between the natural frequency and firmness was 0.856, natural frequency and Young's modulus was 0.800, and the natural frequency and stiffness factor (SF) was 0.862. The stiffness factor (SF) is adequate

  11. Prediction of powerplant vibration using FRF data of FE model; Dentatsu kansu wo mochiita power plant shindo yosoku

    Energy Technology Data Exchange (ETDEWEB)

    Suzuki, T; Tsukahara, M; Sakaguchi, M; Takahashi, Y [Honda R and D Co. Ltd., Tokyo (Japan)

    1997-10-01

    For the purpose of shortening the development period, the estimation of powerplant vibration has become more important in the early design stage, and eigenvalue analysis by FEM is commonly used to solve this problem. Eigenvalue Analysis cannot directly predict vibration levels under running conditions that affect the durability of each component and the vibration of a car body. This paper presents a new approach using FRF data from FE models for accurate prediction of engine vibration under running conditions. By applying this approach to an in-line four cylinder engine, the predicted vibration is reasonably comparable with experimental results. 3 refs., 8 figs.

  12. Kinetic model of vibrational relaxation in a humid-air pulsed corona discharge

    International Nuclear Information System (INIS)

    Komuro, Atsushi; Ono, Ryo; Oda, Tetsuji

    2010-01-01

    The effect of humidity on the vibrational relaxation of O 2 (v) and N 2 (v) in a humid-air pulsed corona discharge is studied using a kinetic model. We previously showed that humidity markedly increases the vibration-to-translation (V-T) rate of molecules in a humid-air pulsed corona discharge by measuring O 2 (v) density (Ono et al 2010 Plasma Sources Sci. Technol. 19 015009). In this paper, we numerically calculate the vibrational kinetics of O 2 , N 2 and H 2 O to study the reason behind the acceleration of V-T in the presence of humidity. The calculation closely reproduces the measured acceleration of V-T due to humidity, and shows that the increase in the V-T rate is caused by the fast vibration-to-vibration (V-V) processes of O 2 -H 2 O and N 2 -H 2 O and the subsequent rapid V-T process of H 2 O-H 2 O. In addition, it is shown that O atom density is also important in the vibrational kinetics owing to the rapid V-T process of O 2 -O.

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

    Directory of Open Access Journals (Sweden)

    Xu Liu

    2015-01-01

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

  14. Dynamic modeling and adaptive vibration suppression of a high-speed macro-micro manipulator

    Science.gov (United States)

    Yang, Yi-ling; Wei, Yan-ding; Lou, Jun-qiang; Fu, Lei; Fang, Sheng; Chen, Te-huan

    2018-05-01

    This paper presents a dynamic modeling and microscopic vibration suppression for a flexible macro-micro manipulator dedicated to high-speed operation. The manipulator system mainly consists of a macro motion stage and a flexible micromanipulator bonded with one macro-fiber-composite actuator. Based on Hamilton's principle and the Bouc-Wen hysteresis equation, the nonlinear dynamic model is obtained. Then, a hybrid control scheme is proposed to simultaneously suppress the elastic vibration during and after the motor motion. In particular, the hybrid control strategy is composed of a trajectory planning approach and an adaptive variable structure control. Moreover, two optimization indices regarding the comprehensive torques and synthesized vibrations are designed, and the optimal trajectories are acquired using a genetic algorithm. Furthermore, a nonlinear fuzzy regulator is used to adjust the switching gain in the variable structure control. Thus, a fuzzy variable structure control with nonlinear adaptive control law is achieved. A series of experiments are performed to verify the effectiveness and feasibility of the established system model and hybrid control strategy. The excited vibration during the motor motion and the residual vibration after the motor motion are decreased. Meanwhile, the settling time is shortened. Both the manipulation stability and operation efficiency of the manipulator are improved by the proposed hybrid strategy.

  15. Forced vibration test on large scale model on soft rock site

    International Nuclear Information System (INIS)

    Kobayashi, Toshio; Fukuoka, Atsunobu; Izumi, Masanori; Miyamoto, Yuji; Ohtsuka, Yasuhiro; Nasuda, Toshiaki.

    1991-01-01

    Forced vibration tests were conducted in order to investigate the embedment effect on dynamic soil-structure interaction. Two model structures were constructed on actual soil about 60 m apart, after excavating the ground to 5 m depth. For both models, the sinusoidal forced vibration tests were performed with the conditions of different embedment depth, namely non-embedment, half-embedment and full-embedment. As the test results, the increase in both natural frequency and damping factor due to the embedment effects can be observed, and the soil impedances calculated from test results are discussed. (author)

  16. Vibration test of spherical shell structure and replacing method into mathematical model

    International Nuclear Information System (INIS)

    Takayanagi, M.; Suzuki, S.; Okamura, T.; Haas, E.E.; Krutzik, N.J.

    1989-01-01

    To verify the beam-type and oval-type vibratory characteristics of a spherical shell structure, two test specimens were made and vibration tests were carried out. Results of these tests are compared with results of detailed analyses using 3-D FEM and 2-D axisymmetric FEM models. The analytical results of overall vibratory characteristics are in good agreement with the test results, has been found that the effect of the attached mass should be considered in evaluating local vibration. The replacing method into equivalent beam model is proposed

  17. Mathematical model for cross-flow-induced vibrations of tube rows

    International Nuclear Information System (INIS)

    Chen, S.S.

    1976-09-01

    A mathematical model for flow-induced vibrations in heat exchanger tube banks is presented which includes the effects of vortex shedding, fluidelastic coupling, drag force, and fluid inertia coupling. Once the fluid forces are known, the model can predict the details of complex tube-fluid interactions: (1) natural frequencies and mode shapes of coupled vibrations; (2) critical flow velocities; (3) responses to vortex shedding, drag force, and other types of excitations; and (4) the dominant excitation mechanism at a given flow velocity. The analytical results are in good agreement with the published experimental results

  18. Properties of one-dimensional anharmonic lattice solitons

    Science.gov (United States)

    Szeftel, Jacob; Laurent-Gengoux, Pascal; Ilisca, Ernest; Hebbache, Mohamed

    2000-12-01

    The existence of bell- and kink-shaped solitons moving at constant velocity while keeping a permanent profile is studied in infinite periodic monoatomic chains of arbitrary anharmonicity by taking advantage of the equation of motion being integrable with respect to solitons. A second-order, non-linear differential equation involving advanced and retarded terms must be solved, which is done by implementing a scheme based on the finite element and Newton's methods. If the potential has a harmonic limit, the asymptotic time-decay behaves exponentially and there is a dispersion relation between propagation velocity and decay time. Inversely if the potential has no harmonic limit, the asymptotic regime shows up either as a power-law or faster than exponential. Excellent agreement is achieved with Toda's model. Illustrative examples are also given for the Fermi-Pasta-Ulam and sine-Gordon potentials. Owing to integrability an effective one-body potential is worked out in each case. Lattice and continuum solitons differ markedly from one another as regards the amplitude versus propagation velocity relationship and the asymptotic time behavior. The relevance of the linear stability analysis when applied to solitons propagating in an infinite crystal is questioned. The reasons preventing solitons from arising in a diatomic lattice are discussed.

  19. An Enhanced Random Vibration and Fatigue Model for Printed Circuit Boards

    Directory of Open Access Journals (Sweden)

    Bruno de Castro Braz

    Full Text Available Abstract Aerospace vehicles are mostly exposed to random vibration loads during its operational lifetime. These harsh conditions excites vibration responses in the vehicles printed circuit boards, what can cause failure on mission functionality due to fatigue damage of electronic components. A novel analytical model to evaluate the useful life of embedded electronic components (capacitors, chips, oscillators etc. mounted on Printed Circuit Boards (PCB is presented. The fatigue damage predictions are calculated by the relative displacement between the PCB and the component, the lead stiffness, as well the natural vibration modes of the PCB and the component itself. Statistical methods are used for fatigue cycle counting. The model is applied to experimental fatigue tests of PCBs available on literature. The analytical results are of the same magnitude order of the experimental findings.

  20. Modeling of forced vibration phenomenon by making an electrical analogy with ANSYS finite element software

    Directory of Open Access Journals (Sweden)

    Myriam Rocío Pallares Muñoz

    2009-01-01

    Full Text Available Designing mechanical systems which are submitted to vibration requires calculation methods which are very different to those u-sed in other disciplines because, when this occurs, the magnitude of the forces becomes secondary and the frequency with which the force is repeated becomes the most important aspect. It must be taken care of, given that smaller periodic forces can prompt disasters than greater static forces. The article presents a representative problem regarding systems having forced vibration, the mathematical treatment of differential equations from an electrical and mechanical viewpoint, an electrical analogy, numerical modeling of circuits using ANSYS finite element software, analysis and comparison of numerical modeling results compared to test values, the post-processing of results and conclusions regarding electrical analogy methodology when analysing forced vibra-tion systems.

  1. First-Principles Lattice Dynamics Method for Strongly Anharmonic Crystals

    Science.gov (United States)

    Tadano, Terumasa; Tsuneyuki, Shinji

    2018-04-01

    We review our recent development of a first-principles lattice dynamics method that can treat anharmonic effects nonperturbatively. The method is based on the self-consistent phonon theory, and temperature-dependent phonon frequencies can be calculated efficiently by incorporating recent numerical techniques to estimate anharmonic force constants. The validity of our approach is demonstrated through applications to cubic strontium titanate, where overall good agreement with experimental data is obtained for phonon frequencies and lattice thermal conductivity. We also show the feasibility of highly accurate calculations based on a hybrid exchange-correlation functional within the present framework. Our method provides a new way of studying lattice dynamics in severely anharmonic materials where the standard harmonic approximation and the perturbative approach break down.

  2. Quantum versus semiclassical description of selftrapping: anharmonic effects

    International Nuclear Information System (INIS)

    Raghavan, S.; Bishop, A.R.; Kenkre, V.M.

    1998-09-01

    Selftrapping has been traditionally studied on the assumption that quasiparticles interact with harmonic phonons and that this interaction is linear in the displacement of the phonon. To complement recent semiclassical studies of anharmonicity and nonlinearity in this context, we present below a fully quantum mechanical analysis of a two-site system, where the oscillator is described by a tunably anharmonic potential, with a square well with infinite walls and the harmonic potential as its extreme limits, and wherein the interaction is nonlinear in the oscillator displacement. We find that even highly anharmonic polarons behave similar to their harmonic counterparts in that selftrapping is preserved for long times in the limit of strong coupling, and that the polaronic tunneling time scale depends exponentially on the polaron binding energy. Further, in agreement with earlier results related to harmonic polarons, the semiclassical approximation agrees with the full quantum result in the massive oscillator limit of small oscillator frequency and strong quasiparticle-oscillator coupling. (author)

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

    Science.gov (United States)

    Goel, Rahul; Kaderka, Justin; Newman, Dava

    2012-01-01

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

  4. Vibration analysis of concrete bridges during a train pass-by using various models

    International Nuclear Information System (INIS)

    Li, Qi; Wang, Ke; Cheng, Shili; Li, Wuqian; Song, Xiaodong

    2016-01-01

    The vibration of a bridge must be determined in order to predict the bridge noise during a train pass-by. It can be generally solved with different models either in the time domain or the frequency domain. The computation cost and accuracy of these models vary a lot in a wide frequency band. This study aims to compare the results obtained from various models for recommending the most suitable model in further noise prediction. First, train-track-bridge models in the time domain are developed by using the finite element method and mode superposition method. The rails are modeled by Timoshenko beam elements and the bridge is respectively modeled by shell elements and volume elements. Second, power flow models for the coupled system are established in the frequency domain. The rails are modelled by infinite Timoshenko beams and the bridge is respectively represented by three finite element models, an infinite Kirchhoff plate, and an infinite Mindlin plate model. The vibration at given locations of the bridge and the power input to the bridges through the rail fasteners are calculated using these models. The results show that the shear deformation of the bridge deck has significant influences on the bridge vibration at medium-to-high frequencies. The Mindlin plate model can be used to represent the U-shaped girder to obtain the power input to the bridge with high accuracy and efficiency. (paper)

  5. On the nature of highly vibrationally excited states of thiophosgene

    Indian Academy of Sciences (India)

    Understanding the nature of the highly excited molecu- lar eigenstates is equivalent to deciphering the mecha- nism of intramolecular vibrational energy redistribution. (IVR) occurring in the molecule.1 However, the assign- ment of eigenstates is far from simple. The existence of and interplay of several strong anharmonic ...

  6. Exact solutions and ladder operators for a new anharmonic oscillator

    International Nuclear Information System (INIS)

    Dong Shihai; Sun Guohua; Lozada-Cassou, M.

    2005-01-01

    In this Letter, we propose a new anharmonic oscillator and present the exact solutions of the Schrodinger equation with this oscillator. The ladder operators are established directly from the normalized radial wave functions and used to evaluate the closed expressions of matrix elements for some related functions. Some comments are made on the general calculation formula and recurrence relation for off-diagonal matrix elements. Finally, we show that this anharmonic oscillator possesses a hidden symmetry between E(r) and E(ir) by substituting r->ir

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

    Science.gov (United States)

    Van Dyke, Michael B.

    2014-01-01

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

  8. On the Modeling of a MEMS Based Capacitive Accelerometer for Measurement of Tractor Seat Vibration

    Directory of Open Access Journals (Sweden)

    M. Alidoost

    2010-04-01

    Full Text Available Drivers of heavy vehicles often face with higher amplitudes of frequencies range between 1-80 Hz. Hence, this range of frequency results in temporary or even sometimes permanent damages to the health of drivers. Examples for these problems are damages to the vertebral column and early tiredness, which both reduce the driver’s performance significantly. One solution to this problem is to decrease the imposed vibration to the driver’s seat by developing an active seat system. These systems require an online measuring unit to sense vibrations transferred to the seat. The measuring unit can include a capacitive micro-accelerometer on the basis of MEMS which measure online vibrations on the seat. In this study, the mechanical behavior of a capacitive micro-accelerometer for the vibration range applied to a tractor seat has been simulated. The accelerometer is capable to measure step, impact and harmonic external excitations applied to the system. The results of the study indicate that, with increasing the applied voltage, the system sensitivity also increases, but the measuring range of vibrations decreases and vice versa. The modeled accelerometer, at damping ratio of 0.67 is capable to measure accelerations within the frequency range of lower than 130 Hz.

  9. Modeling fluid forces and response of a tube bundle in cross-flow induced vibrations

    International Nuclear Information System (INIS)

    Khushnood, Shahab; Khan, Zaffar M.; Malik, M. Afzaal; Koreshi, Zafarullah; Khan, Mahmood Anwar

    2003-01-01

    Flow induced vibrations occur in process heat exchangers, condensers, boilers and nuclear steam generators. Under certain flow conditions and fluid velocities, the fluid forces result in tube vibrations and possible damage of tube, tube sheet or baffle due to fretting and fatigue. Prediction of these forces is an important consideration. The characteristics of vibration depend greatly on the fluid dynamic forces and structure of the tube bundle. It is undesirable for the tube bundles to vibrate excessively under normal operating conditions because tubes wear and eventual leakage can occur leading to costly shutdowns. In this paper modeling of fluid forces and vibration response of a tube in a heat exchanger bundle has been carried out. Experimental validation has been performed on an existing refinery heat exchanger tube bundle. The target tube has been instrumented with an accelerometer and strain gages. The bundle has been studied for pulse, sinusoidal and random excitations. Natural frequencies and damping of the tubes have also been computed. Experimental fluid forces and response shows a reasonable agreement with the predictions. (author)

  10. Incorporating Vibration Test Results for the Advanced Stirling Convertor into the System Dynamic Model

    Science.gov (United States)

    Meer, David W.; Lewandowski, Edward J.

    2010-01-01

    The U.S. Department of Energy (DOE), Lockheed Martin Corporation (LM), and NASA Glenn Research Center (GRC) have been developing the Advanced Stirling Radioisotope Generator (ASRG) for use as a power system for space science missions. As part of the extended operation testing of this power system, the Advanced Stirling Convertors (ASC) at NASA GRC undergo a vibration test sequence intended to simulate the vibration history that an ASC would experience when used in an ASRG for a space mission. During these tests, a data system collects several performance-related parameters from the convertor under test for health monitoring and analysis. Recently, an additional sensor recorded the slip table position during vibration testing to qualification level. The System Dynamic Model (SDM) integrates Stirling cycle thermodynamics, heat flow, mechanical mass, spring, damper systems, and electrical characteristics of the linear alternator and controller. This Paper presents a comparison of the performance of the ASC when exposed to vibration to that predicted by the SDM when exposed to the same vibration.

  11. Analysis and modeling of unsteady aerodynamics with application to wind turbine blade vibration at standstill conditions

    Energy Technology Data Exchange (ETDEWEB)

    Skrzypinski, W.

    2012-02-15

    Wind turbine blade vibrations at standstill conditions were investigated in the present work. These included vortex-induced and stall-induced vibrations. Thus, it was investigated whether the stand still vibrations are vortex-induced, stall-induced or a combination of both types. The work comprised analyzes based on engineering models and Computational Fluid Dynamics. Two-dimensional, three-degree-of-freedom, elastically-mounted-airfoil engineering models were created. These models aimed at investigating the effect of temporal lag in the aerodynamic response of an airfoil on the aeroelastic stability limits. The motivation for it was that the standard aerodynamics existing in state-of-the-art aeroelastic codes is effectively quasi-steady in deep stall. If such an assumption was incorrect, these codes could predict stall-induced vibrations inaccurately. The main conclusion drawn from these analyses was that even a relatively low amount of temporal lag in the aerodynamic response may significantly increase the aerodynamic damping and therefore influence the aeroelastic stability limits, relative to quasisteady aerodynamic response. Two- and three-dimensional CFD computations included non-moving, prescribed-motion and elastically mounted airfoil suspensions. 2D and 3D prescribed-motion CFD computations performed on a DU96-W-180 airfoil predicted vortex-induced vibrations at 90 degrees angle of attack at the frequency close to the stationary vortex shedding frequency predicted by 2D CFD computations. Significant discrepancies were observed between 2D and 3D computations around 25 degrees angle of attack. 3D computations predicted occurrence of vortex-induced vibrations while the wind speed necessary for the occurrence of stall-induced vibrations was predicted too high to occur in normal conditions. Analysis of the dynamic lift and drag resulting from 2D and 3D CFD computations carried out around 25 degrees angle of attack showed loops with the slopes of opposite signs

  12. On thermal vibration effects in diffusion model calculations of blocking dips

    International Nuclear Information System (INIS)

    Fuschini, E.; Ugozzoni, A.

    1983-01-01

    In the framework of the diffusion model, a method for calculating blocking dips is suggested that takes into account thermal vibrations of the crystal lattice. Results of calculations of the diffusion factor and the transverse energy distribution taking into accoUnt scattering of the channeled particles at thermal vibrations of lattice nuclei, are presented. Calculations are performed for α-particles with the energy of 2.12 MeV at 300 K scattered by Al crystal. It is shown that calculations performed according to the above method prove the necessity of taking into account effects of multiple scattering under blocking conditions

  13. Mathematical Modelling and Parameter Identification of an Electro-Magneto-Mechanical Actuator for Vibration Control

    DEFF Research Database (Denmark)

    Darula, Radoslav; Stein, George Juraj; Kallesøe, Carsten Skovmose

    2012-01-01

    Electromechanical systems for vibration control exhibit complex non-linear behaviour. Therefore advanced mathematical tools and appropriate simplifications are required for their modelling. To properly understand the dynamics of such a non-linear system, it is necessary to identify the parameters....... The electric circuit is closed with a shunt resistance connected to the electromagnet. The current induced in the circuit generates additional alternating magnetic force. This force counteracts the original vibration and damps it. In this way the coupled electro-magneto-mechanical system suppresses the forced...

  14. Vibration Noise Modeling for Measurement While Drilling System Based on FOGs

    Directory of Open Access Journals (Sweden)

    Chunxi Zhang

    2017-10-01

    Full Text Available Aiming to improve survey accuracy of Measurement While Drilling (MWD based on Fiber Optic Gyroscopes (FOGs in the long period, the external aiding sources are fused into the inertial navigation by the Kalman filter (KF method. The KF method needs to model the inertial sensors’ noise as the system noise model. The system noise is modeled as white Gaussian noise conventionally. However, because of the vibration while drilling, the noise in gyros isn’t white Gaussian noise any more. Moreover, an incorrect noise model will degrade the accuracy of KF. This paper developed a new approach for noise modeling on the basis of dynamic Allan variance (DAVAR. In contrast to conventional white noise models, the new noise model contains both the white noise and the color noise. With this new noise model, the KF for the MWD was designed. Finally, two vibration experiments have been performed. Experimental results showed that the proposed vibration noise modeling approach significantly improved the estimated accuracies of the inertial sensor drifts. Compared the navigation results based on different noise model, with the DAVAR noise model, the position error and the toolface angle error are reduced more than 90%. The velocity error is reduced more than 65%. The azimuth error is reduced more than 50%.

  15. Vibration Noise Modeling for Measurement While Drilling System Based on FOGs.

    Science.gov (United States)

    Zhang, Chunxi; Wang, Lu; Gao, Shuang; Lin, Tie; Li, Xianmu

    2017-10-17

    Aiming to improve survey accuracy of Measurement While Drilling (MWD) based on Fiber Optic Gyroscopes (FOGs) in the long period, the external aiding sources are fused into the inertial navigation by the Kalman filter (KF) method. The KF method needs to model the inertial sensors' noise as the system noise model. The system noise is modeled as white Gaussian noise conventionally. However, because of the vibration while drilling, the noise in gyros isn't white Gaussian noise any more. Moreover, an incorrect noise model will degrade the accuracy of KF. This paper developed a new approach for noise modeling on the basis of dynamic Allan variance (DAVAR). In contrast to conventional white noise models, the new noise model contains both the white noise and the color noise. With this new noise model, the KF for the MWD was designed. Finally, two vibration experiments have been performed. Experimental results showed that the proposed vibration noise modeling approach significantly improved the estimated accuracies of the inertial sensor drifts. Compared the navigation results based on different noise model, with the DAVAR noise model, the position error and the toolface angle error are reduced more than 90%. The velocity error is reduced more than 65%. The azimuth error is reduced more than 50%.

  16. COMPENSATED INVERSE PID CONTROLLER FOR ACTIVE VIBRATION CONTROL WITH PIEZOELECTRIC PATCHES: MODELING, SIMULATION AND IMPLEMENTATION

    Directory of Open Access Journals (Sweden)

    Asan Gani

    2010-09-01

    Full Text Available Active vibration control of the first three modes of a vibrating cantilever beam using collocated piezoelectric sensor and actuator is examined in this paper. To achieve this, a model based on Euler-Bernoulli beam equation is adopted and extended to the case of three bonded piezoelectric patches that act as sensor, actuator and exciter respectively. A compensated inverse PID controller has been designed and developed to damp first three modes of vibration. Controllers have been designed for each mode and these are later combined in parallel to damp any of the three modes. Individual controller gives better reduction in sensor output for the second and third modes while the combined controller performs better for the first mode. Simulation studies are carried out using MATLAB. These results are compared and verified experimentally and the real-time implementation is carried out with xPC-target toolbox in MATLAB

  17. Hydroelastic model of PWR reactor internals SAFRAN 1 - Validation of a vibration calculation method

    International Nuclear Information System (INIS)

    Epstein, A.; Gibert, R.J.; Jeanpierre, F.; Livolant, M.

    1978-01-01

    The SAFRAN 1 test loop consists of an hydroelastic similitude of a 1/8 scale model of a 3 loop P.W.R. Vibrations of the main internals (thermal shield and core barrel) and pressure fluctuations in water thin sections between vessel and internals, and in inlet and outlet pipes, have been measured. The calculation method consists of: an evaluation of the main vibration and acoustic sources owing to the flow (unsteady jet impingement on the core barrel, turbulent flow in a water thin section). A calculation of the internal modal parameters taking into account the inertial effects of fluid (the computer codes AQUAMODE and TRISTANA have been used). A calculation of the acoustic response of the circuit (the computer code VIBRAPHONE has been used). The good agreement between the calculation and the experimental results allows using this method with better security for the prediction of the vibration levels of full scale P.W.R. internals

  18. Modeling of vibrations isolation and arrest by shape memory parts and permanent magnets

    Science.gov (United States)

    Belyaev, Fedor S.; Volkov, Aleksandr E.; Evard, Margarita E.; Vikulenkov, Andrey V.; Uspenskiy, Evgeniy S.

    2018-05-01

    A vibration protection system under consideration consists of a payload connected to a vibrating housing by shape memory alloy (SMA) slotted springs. To provide an arrest function two permanent magnets are inserted into the system. The slotted SMA elements are preliminary deformed in the martensitic state. Activation of one element by heating initiates force and displacement generation, which provide an arrest of the payload by magnets. The magnets also secure the arrest mode after cooling of the SMA element. Activation of the other element results in uncaging of the payload and switching to the vibration isolation mode. Computer simulations of arrest and uncaging when the housing is quiescent or producing sine-wave displacements were carried out. Functional-mechanical behavior of SMA parts was described by means of a microstructural model.

  19. Development of hardware system using temperature and vibration maintenance models integration concepts for conventional machines monitoring: A case study

    OpenAIRE

    Adeyeri, Michael Kanisuru; Mpofu, Khumbulani; Kareem, Buliaminu

    2016-01-01

    This article describes the integration of temperature and vibration models for maintenance monitoring of conventional machinery parts in which their optimal andbest functionalities are affected by abnormal changes in temperature and vibration values thereby resulting in machine failures, machines breakdown, poor quality of products, inability to meeting customers' demand, poor inventory control and just to mention a few. The work entails the use of temperature and vibration sensors as monitor...

  20. MATHEMATICAL MODELING OF SELF-EXCITED VIBRATION OF PIPES CONTAINING MOBILE BOILING FLUID CLOTS

    Directory of Open Access Journals (Sweden)

    Yevgeniy Tolbatov

    2015-06-01

    Full Text Available Numerical modeling dynamic behavior of a pipe containing inner nonhomogeneous flows of a boiling fluid has been carried out. The system vibrations at different values of the parameters of the flow nonhomogeneity and its velocity are observed. The possibility of forming stable and unstable flows depending on the character ofnonhomogeneity and the velocity of fluid clots has been found.

  1. The vibrating reed frequency meter : digital investigation of an early cochlear model

    NARCIS (Netherlands)

    Bell, Andrew; Wit, Hero P.

    2015-01-01

    The vibrating reed frequency meter, originally employed by Bekesy and later by Wilson as a cochlear model, uses a set of tuned reeds to represent the cochlea's graded bank of resonant elements and an elastic band threaded between them to provide nearest-neighbour coupling. Here the system,

  2. Advanced electromagnetic modeling applied to anti-vibration systems for high precision and automotive applications

    NARCIS (Netherlands)

    Janssen, J.L.G.; Gysen, B.L.J.; Paulides, J.J.H.; Lomonova, E.

    2012-01-01

    This paper presents the application of two (semi-) analytical modeling techniques to the design of anti-vibration systems. Both methods are based on the direct solution of the Laplace and Poisson equations in terms of the scalar or magnetic vector potential. The first technique, the surface charge

  3. Analytical model for vibration prediction of two parallel tunnels in a full-space

    Science.gov (United States)

    He, Chao; Zhou, Shunhua; Guo, Peijun; Di, Honggui; Zhang, Xiaohui

    2018-06-01

    This paper presents a three-dimensional analytical model for the prediction of ground vibrations from two parallel tunnels embedded in a full-space. The two tunnels are modelled as cylindrical shells of infinite length, and the surrounding soil is modelled as a full-space with two cylindrical cavities. A virtual interface is introduced to divide the soil into the right layer and the left layer. By transforming the cylindrical waves into the plane waves, the solution of wave propagation in the full-space with two cylindrical cavities is obtained. The transformations from the plane waves to cylindrical waves are then used to satisfy the boundary conditions on the tunnel-soil interfaces. The proposed model provides a highly efficient tool to predict the ground vibration induced by the underground railway, which accounts for the dynamic interaction between neighbouring tunnels. Analysis of the vibration fields produced over a range of frequencies and soil properties is conducted. When the distance between the two tunnels is smaller than three times the tunnel diameter, the interaction between neighbouring tunnels is highly significant, at times in the order of 20 dB. It is necessary to consider the interaction between neighbouring tunnels for the prediction of ground vibrations induced underground railways.

  4. Spectra-structure correlations in NIR region: Spectroscopic and anharmonic DFT study of n-hexanol, cyclohexanol and phenol

    Science.gov (United States)

    Beć, Krzysztof B.; Grabska, Justyna; Czarnecki, Mirosław A.

    2018-05-01

    We investigated near-infrared (7500-4000 cm-1) spectra of n-hexanol, cyclohexanol and phenol in CCl4 (0.2 M) by using anharmonic quantum calculations. These molecules represent three major kinds of alcohols; linear and cyclic aliphatic, and aromatic ones. Vibrational second-order perturbation theory (VPT2) was employed to calculate the first overtones and binary combination modes and to reproduce the experimental NIR spectra. The level of conformational flexibility of these three alcohols varies from one stable conformer of phenol through four conformers of cyclohexanol to few hundreds conformers in the case of n-hexanol. To take into account the most relevant conformational population of n-hexanol, a systematic conformational search was performed. Accurate reproduction of the experimental NIR spectra was achieved and detailed spectra-structure correlations were obtained for these three alcohols. VPT2 approach provides less reliable description of highly anharmonic modes, i.e. OH stretching. In the present work this limitation was manifested in erroneous results yielded by VPT2 for 2νOH mode of cyclohexanol. To study the anharmonicity of this mode we solved the corresponding time-independent Schrödinger equation based on a dense-grid probing of the relevant vibrational potential. These results allowed for significant improvement of the agreement between the calculated and experimental 2νOH band of cyclohexanol. Various important biomolecules include similar structural units to the systems investigated here. A detailed knowledge on spectral properties of these three types of alcohols is therefore essential for advancing our understanding of NIR spectroscopy of biomolecules.

  5. Vibrational Spectroscopy and Astrobiology

    Science.gov (United States)

    Chaban, Galina M.; Kwak, D. (Technical Monitor)

    2001-01-01

    Role of vibrational spectroscopy in solving problems related to astrobiology will be discussed. Vibrational (infrared) spectroscopy is a very sensitive tool for identifying molecules. Theoretical approach used in this work is based on direct computation of anharmonic vibrational frequencies and intensities from electronic structure codes. One of the applications of this computational technique is possible identification of biological building blocks (amino acids, small peptides, DNA bases) in the interstellar medium (ISM). Identifying small biological molecules in the ISM is very important from the point of view of origin of life. Hybrid (quantum mechanics/molecular mechanics) theoretical techniques will be discussed that may allow to obtain accurate vibrational spectra of biomolecular building blocks and to create a database of spectroscopic signatures that can assist observations of these molecules in space. Another application of the direct computational spectroscopy technique is to help to design and analyze experimental observations of ice surfaces of one of the Jupiter's moons, Europa, that possibly contains hydrated salts. The presence of hydrated salts on the surface can be an indication of a subsurface ocean and the possible existence of life forms inhabiting such an ocean.

  6. A study of modelling simplifications in ground vibration predictions for railway traffic at grade

    Science.gov (United States)

    Germonpré, M.; Degrande, G.; Lombaert, G.

    2017-10-01

    Accurate computational models are required to predict ground-borne vibration due to railway traffic. Such models generally require a substantial computational effort. Therefore, much research has focused on developing computationally efficient methods, by either exploiting the regularity of the problem geometry in the direction along the track or assuming a simplified track structure. This paper investigates the modelling errors caused by commonly made simplifications of the track geometry. A case study is presented investigating a ballasted track in an excavation. The soil underneath the ballast is stiffened by a lime treatment. First, periodic track models with different cross sections are analyzed, revealing that a prediction of the rail receptance only requires an accurate representation of the soil layering directly underneath the ballast. A much more detailed representation of the cross sectional geometry is required, however, to calculate vibration transfer from track to free field. Second, simplifications in the longitudinal track direction are investigated by comparing 2.5D and periodic track models. This comparison shows that the 2.5D model slightly overestimates the track stiffness, while the transfer functions between track and free field are well predicted. Using a 2.5D model to predict the response during a train passage leads to an overestimation of both train-track interaction forces and free field vibrations. A combined periodic/2.5D approach is therefore proposed in this paper. First, the dynamic axle loads are computed by solving the train-track interaction problem with a periodic model. Next, the vibration transfer to the free field is computed with a 2.5D model. This combined periodic/2.5D approach only introduces small modelling errors compared to an approach in which a periodic model is used in both steps, while significantly reducing the computational cost.

  7. Modelling and tuning for a time-delayed vibration absorber with friction

    Science.gov (United States)

    Zhang, Xiaoxu; Xu, Jian; Ji, Jinchen

    2018-06-01

    This paper presents an integrated analytical and experimental study to the modelling and tuning of a time-delayed vibration absorber (TDVA) with friction. In system modelling, this paper firstly applies the method of averaging to obtain the frequency response function (FRF), and then uses the derived FRF to evaluate the fitness of different friction models. After the determination of the system model, this paper employs the obtained FRF to evaluate the vibration absorption performance with respect to tunable parameters. A significant feature of the TDVA with friction is that its stability is dependent on the excitation parameters. To ensure the stability of the time-delayed control, this paper defines a sufficient condition for stability estimation. Experimental measurements show that the dynamic response of the TDVA with friction can be accurately predicted and the time-delayed control can be precisely achieved by using the modelling and tuning technique provided in this paper.

  8. Spherical anharmonic oscillator in self-similar approximation

    International Nuclear Information System (INIS)

    Yukalova, E.P.; Yukalov, V.I.

    1992-01-01

    The method of self-similar approximation is applied here for calculating the eigenvalues of the three-dimensional spherical anharmonic oscillator. The advantage of this method is in its simplicity and high accuracy. The comparison with other known analytical methods proves that this method is more simple and accurate. 25 refs

  9. Harmonic and Anharmonic Behaviour of a Simple Oscillator

    Science.gov (United States)

    O'Shea, Michael J.

    2009-01-01

    We consider a simple oscillator that exhibits harmonic and anharmonic regimes and analyse its behaviour over the complete range of possible amplitudes. The oscillator consists of a mass "m" fixed at the midpoint of a horizontal rope. For zero initial rope tension and small amplitude the period of oscillation, tau, varies as tau is approximately…

  10. 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.

  11. Adaptive Neuro-Fuzzy Modeling of UH-60A Pilot Vibration

    Science.gov (United States)

    Kottapalli, Sesi; Malki, Heidar A.; Langari, Reza

    2003-01-01

    Adaptive neuro-fuzzy relationships have been developed to model the UH-60A Black Hawk pilot floor vertical vibration. A 200 point database that approximates the entire UH-60A helicopter flight envelope is used for training and testing purposes. The NASA/Army Airloads Program flight test database was the source of the 200 point database. The present study is conducted in two parts. The first part involves level flight conditions and the second part involves the entire (200 point) database including maneuver conditions. The results show that a neuro-fuzzy model can successfully predict the pilot vibration. Also, it is found that the training phase of this neuro-fuzzy model takes only two or three iterations to converge for most cases. Thus, the proposed approach produces a potentially viable model for real-time implementation.

  12. Adaptive Model Predictive Vibration Control of a Cantilever Beam with Real-Time Parameter Estimation

    Directory of Open Access Journals (Sweden)

    Gergely Takács

    2014-01-01

    Full Text Available This paper presents an adaptive-predictive vibration control system using extended Kalman filtering for the joint estimation of system states and model parameters. A fixed-free cantilever beam equipped with piezoceramic actuators serves as a test platform to validate the proposed control strategy. Deflection readings taken at the end of the beam have been used to reconstruct the position and velocity information for a second-order state-space model. In addition to the states, the dynamic system has been augmented by the unknown model parameters: stiffness, damping constant, and a voltage/force conversion constant, characterizing the actuating effect of the piezoceramic transducers. The states and parameters of this augmented system have been estimated in real time, using the hybrid extended Kalman filter. The estimated model parameters have been applied to define the continuous state-space model of the vibrating system, which in turn is discretized for the predictive controller. The model predictive control algorithm generates state predictions and dual-mode quadratic cost prediction matrices based on the updated discrete state-space models. The resulting cost function is then minimized using quadratic programming to find the sequence of optimal but constrained control inputs. The proposed active vibration control system is implemented and evaluated experimentally to investigate the viability of the control method.

  13. Controlling flow-induced vibrations of flood barrier gates with data-driven and finite-element modelling

    NARCIS (Netherlands)

    Erdbrink, C.D.; Krzhizhanovskaya, V.V.; Sloot, P.M.A.; Klijn, F.; Schweckendiek, T.

    2012-01-01

    Operation of flood barrier gates is sometimes hampered by flow-induced vibrations. Although the physics is understood for specific gate types, it remains challenging to judge dynamic gate behaviour for unanticipated conditions. This paper presents a hybrid modelling system for predicting vibrations

  14. The influence of material anisotropy on vibration at onset in a three-dimensional vocal fold model

    Science.gov (United States)

    Zhang, Zhaoyan

    2014-01-01

    Although vocal folds are known to be anisotropic, the influence of material anisotropy on vocal fold vibration remains largely unknown. Using a linear stability analysis, phonation onset characteristics were investigated in a three-dimensional anisotropic vocal fold model. The results showed that isotropic models had a tendency to vibrate in a swing-like motion, with vibration primarily along the superior-inferior direction. Anterior-posterior (AP) out-of-phase motion was also observed and large vocal fold vibration was confined to the middle third region along the AP length. In contrast, increasing anisotropy or increasing AP-transverse stiffness ratio suppressed this swing-like motion and allowed the vocal fold to vibrate in a more wave-like motion with strong medial-lateral motion over the entire medial surface. Increasing anisotropy also suppressed the AP out-of-phase motion, allowing the vocal fold to vibrate in phase along the entire AP length. Results also showed that such improvement in vibration pattern was the most effective with large anisotropy in the cover layer alone. These numerical predictions were consistent with previous experimental observations using self-oscillating physical models. It was further hypothesized that these differences may facilitate complete glottal closure in finite-amplitude vibration of anisotropic models as observed in recent experiments. PMID:24606284

  15. Thermal Effects on Vibration and Control of Piezocomposite Kirchhoff Plate Modeled by Finite Elements Method

    OpenAIRE

    Sanbi, M.; Saadani, R.; Sbai, K.; Rahmoune, M.

    2015-01-01

    Theoretical and numerical results of the modeling of a smart plate are presented for optimal active vibration control. The smart plate consists of a rectangular aluminum piezocomposite plate modeled in cantilever configuration with surface bonded thermopiezoelectric patches. The patches are symmetrically bonded on top and bottom surfaces. A generic thermopiezoelastic theory for piezocomposite plate is derived, using linear thermopiezoelastic theory and Kirchhoff assumptions. Finite element eq...

  16. Forced vibration analysis of a Timoshenko cracked beam using a continuous model for the crack

    OpenAIRE

    Mahdi Heydari; Alireza Ebrahimi; Mehdi Behzad

    2014-01-01

    In this paper, forced flexural vibration of a cracked beam is studied by using a continuous bilinear model for the displacement field. The effects of shear deformation and rotary inertia are considered in the model. The governing equation of motion for the beam is obtained using the Hamilton principle and based on the proposed displacement field. The equation of motion is given for a general force distribution. Then, the equation of motion has been solved for a concentrated force to present a...

  17. Modeling study of vibrational photochemical isotope enrichment. [HBr + Cl/sub 2/; HCl + Br/sub 2/

    Energy Technology Data Exchange (ETDEWEB)

    Badcock, C.C.; Hwang, W.C.; Kalsch, J.F.

    1978-09-29

    Chemical kinetic modeling studies of vibrational-photochemical isotope enrichment have been performed on two systems: Model (I), H/sup 79/Br(H/sup 81/Br) + Cl/sub 2/ and, Model (II), H/sup 37/Cl(H/sup 35/Cl) + Br. Pulsed laser excitation was modeled to the first excited vibrational level of H/sup 79/Br in Model I and the first and second excited vibrational levels of both HCl isotopes in Model II. These are prototype systems of exoergic (Model I) and endoergic (Model II) reactions. The effects on enrichment of varying the external parameters (pressure, laser intensity) and the internal parameters (rate constants for V-V exchange and excited-state reactions) were examined. Studies of these prototype systems indicate that a favorable reaction for enrichment, with isotopically-specific excitation and a significantly accelerated vibrationally-excited-state reaction should have the following properties: the reaction from v = 0 should be only moderately exoergic, and the most favorable coreactant should be a polyatomic species, such as alkyl radical. Direct excitation of the reacting vibrational level is at least an order of magnitude more favorable for enrichment than is population by energy transfer. Enrichment of the minor isotope by these processes is more effective than is major isotope enrichment. Within limits, increased laser intensity is beneficial. However, for sequential excitation of a second vibrational level, major isotope enrichment can be diminished by high populations of the first vibrational level.

  18. Analytical Model of Underground Train Induced Vibrations on Nearby Building Structures in Cameroon: Assessment and Prediction

    Directory of Open Access Journals (Sweden)

    Lezin Seba MINSILI

    2013-11-01

    Full Text Available The purpose of this research paper was to assess and predict the effect of vibrations induced by an underground railway on nearby-existing buildings prior to the construction of projected new railway lines of the National Railway Master Plan of Cameroon and after upgrading of the railway conceded to CAMRAIL linking the two most densely populated cities of Cameroon: Douala and Yaoundé. With the source-transmitter-receiver mathematical model as the train-soil-structure interaction model, taking into account sub-model parameters such as type of the train-railway system, typical geotechnical conditions of the ground and the sensitivity of the nearby buildings, the analysis is carried out over the entire system using the dynamic finite element method in the time domain. This subdivision of the model is a powerful tool that allows to consider different alternatives of sub-models with different characteristics, and thus to determine any critical excessive vibration impact. Based on semi-empirical analytical results obtained from presented models, the present work assesses and predicts characteristics of traffic-induced vibrations as a function of time duration, intensity and vehicle speed, as well as their influence on buildings at different levels.

  19. Are water simulation models consistent with steady-state and ultrafast vibrational spectroscopy experiments?

    International Nuclear Information System (INIS)

    Schmidt, J.R.; Roberts, S.T.; Loparo, J.J.; Tokmakoff, A.; Fayer, M.D.; Skinner, J.L.

    2007-01-01

    Vibrational spectroscopy can provide important information about structure and dynamics in liquids. In the case of liquid water, this is particularly true for isotopically dilute HOD/D 2 O and HOD/H 2 O systems. Infrared and Raman line shapes for these systems were measured some time ago. Very recently, ultrafast three-pulse vibrational echo experiments have been performed on these systems, which provide new, exciting, and important dynamical benchmarks for liquid water. There has been tremendous theoretical effort expended on the development of classical simulation models for liquid water. These models have been parameterized from experimental structural and thermodynamic measurements. The goal of this paper is to determine if representative simulation models are consistent with steady-state, and especially with these new ultrafast, experiments. Such a comparison provides information about the accuracy of the dynamics of these simulation models. We perform this comparison using theoretical methods developed in previous papers, and calculate the experimental observables directly, without making the Condon and cumulant approximations, and taking into account molecular rotation, vibrational relaxation, and finite excitation pulses. On the whole, the simulation models do remarkably well; perhaps the best overall agreement with experiment comes from the SPC/E model

  20. Vibration modeling of structural fuzzy with continuous boundary

    DEFF Research Database (Denmark)

    Friis, Lars; Ohlrich, Mogens

    2008-01-01

    a multitude of different sprung masses each strongly resisting any motion of the main structure (master) at their base antiresonance. The “theory of structural fuzzy” is intended for modeling such high damping. In the present article the theory of fuzzy structures is briefly outlined and a method of modeling...

  1. Component vibration of VVER-reactors - diagnostics and modelling

    International Nuclear Information System (INIS)

    Altstadt, E.; Scheffler, M.; Weiss, F.P.

    1994-01-01

    The model comprises the whole primary circuit, including steam generators, loops, coolant pumps, main isolating valves and certainly the reactor pressure vessel and its internals. It was developed using the finite-element-code ANSYS. The model has a modular structure, so that various operational and assembling states can easily be considered. (orig./DG)

  2. Vibrational characteristics of graphene sheets elucidated using an elastic network model.

    Science.gov (United States)

    Kim, Min Hyeok; Kim, Daejoong; Choi, Jae Boong; Kim, Moon Ki

    2014-08-07

    Recent studies of graphene have demonstrated its great potential for highly sensitive resonators. In order to capture the intrinsic vibrational characteristics of graphene, we propose an atomistic modeling method called the elastic network model (ENM), in which a graphene sheet is modeled as a mass-spring network of adjacent atoms connected by various linear springs with specific bond ratios. Normal mode analysis (NMA) reveals the various vibrational features of bi-layer graphene sheets (BLGSs) clamped at two edges. We also propose a coarse-graining (CG) method to extend our graphene study into the meso- and macroscales, at which experimental measurements and synthesis of graphene become practical. The simulation results show good agreement with experimental observations. Therefore, the proposed ENM approach will not only shed light on the theoretical study of graphene mechanics, but also play an important role in the design of highly-sensitive graphene-based resonators.

  3. Vibrational and electronic collisional-radiative model in air for Earth entry problems

    Energy Technology Data Exchange (ETDEWEB)

    Annaloro, Julien, E-mail: Julien.Annaloro@cnes.fr [CNES, 18 Avenue Edouard Belin, 31401 Toulouse Cedex 9 (France); CORIA - UMR 6614, Normandie Université, CNRS - Université et INSA de Rouen, Campus Universitaire du Madrillet, 76800 Saint-Etienne du Rouvray Cedex (France); Bultel, Arnaud, E-mail: Arnaud.Bultel@coria.fr [CORIA - UMR 6614, Normandie Université, CNRS - Université et INSA de Rouen, Campus Universitaire du Madrillet, 76800 Saint-Etienne du Rouvray Cedex (France)

    2014-12-15

    The two-temperature collisional-radiative model CoRaM-AIR, working over a wide range for pressure and temperatures, has been developed for the flow conditions around a space vehicle entering the Earth's atmosphere. The species N{sub 2}, O{sub 2}, NO, N, O, Ar, N{sub 2}{sup +}, O{sub 2}{sup +}, NO{sup +}, N{sup +}, O{sup +}, Ar{sup +}, and free electrons are taken into account. The model is vibrationally specific on the ground electronic state of N{sub 2}, O{sub 2}, and NO, and electronically specific for all species, with a total of 169 vibrational states and 829 electronic states, respectively. A wide set of elementary processes is considered under electron and heavy particle impact given the temperatures involved (up to 30 000 K). This set corresponds to almost 700 000 forward and backward elementary processes. The relaxation from initial thermal or chemical nonequilibrium is studied for dissociation-ionization situations in conditions related to the FIRE II flight experiment. Boltzmann plots clearly prove that the vibrational and electronic excitation distributions are far from being Boltzmanian. In particular, high-lying vibrational levels remain underpopulated for most of the duration of the relaxation. This relaxation can be separated in a first phase characterized by the dissociation and the excitation of the molecular species, and a second phase leading to the excitation and the ionization of the dissociation products. Owing to the vibrational relaxation, the time scales are slightly higher than the ones predicted by former kinetic mechanisms usually used in flow simulations. In the present FIRE II conditions, radiation does not play a significant role.

  4. Effect of instantaneous and continuous quenches on the density of vibrational modes in model glasses

    Science.gov (United States)

    Lerner, Edan; Bouchbinder, Eran

    2017-08-01

    Computational studies of supercooled liquids often focus on various analyses of their "underlying inherent states"—the glassy configurations at zero temperature obtained by an infinitely fast (instantaneous) quench from equilibrium supercooled states. Similar protocols are also regularly employed in investigations of the unjamming transition at which the rigidity of decompressed soft-sphere packings is lost. Here we investigate the statistics and localization properties of low-frequency vibrational modes of glassy configurations obtained by such instantaneous quenches. We show that the density of vibrational modes grows as ωβ with β depending on the parent temperature T0 from which the glassy configurations were instantaneously quenched. For quenches from high temperature liquid states we find β ≈3 , whereas β appears to approach the previously observed value β =4 as T0 approaches the glass transition temperature. We discuss the consistency of our findings with the theoretical framework of the soft potential model, and contrast them with similar measurements performed on configurations obtained by continuous quenches at finite cooling rates. Our results suggest that any physical quench at rates sufficiently slower than the inverse vibrational time scale—including all physically realistic quenching rates of molecular or atomistic glasses—would result in a glass whose density of vibrational modes is universally characterized by β =4 .

  5. Experimental vibration analysis for a 3D scaled model of a three-floor steel structure

    Directory of Open Access Journals (Sweden)

    Ernesto F. Castillo

    Full Text Available In this paper we present an experimental study of a three dimensional physical model of a three-floor structure subjected to forced vibrations by imposing displacements in its support. The aim of this work is to analyze the behavior of the building when a dynamic vibration absorber (DVA is acting. An analytic simplified analysis and a numerical study are developed to obtain the natural frequencies of the structure. Experiments are carried out in a vibrating table. The frequency range to be experimentally analyzed is determined by the first natural frequency of the structure for which the DVA damping effects are verified. The equipment capabilities, i.e. the frequencies, amplitudes and admissible load, limit the analyses. Nevertheless, satisfactory results are obtained for the study of the first mode of vibration. The effect of different amplitudes of the imposed support motion is also analyzed. In addition, the damping effect of the DVA device is evaluated upon varying its mass and its location in the structure. The characteristic curves in the frequency domain are obtained computing the Fast Fourier Transformation (FFT of the acceleration history registered with piezoelectric accelerometers at different checkpoints for the cases analyzed.

  6. Modal analysis of human body vibration model for Indian subjects under sitting posture.

    Science.gov (United States)

    Singh, Ishbir; Nigam, S P; Saran, V H

    2015-01-01

    Need and importance of modelling in human body vibration research studies are well established. The study of biodynamic responses of human beings can be classified into experimental and analytical methods. In the past few decades, plenty of mathematical models have been developed based on the diverse field measurements to describe the biodynamic responses of human beings. In this paper, a complete study on lumped parameter model derived from 50th percentile anthropometric data for a seated 54- kg Indian male subject without backrest support under free un-damped conditions has been carried out considering human body segments to be of ellipsoidal shape. Conventional lumped parameter modelling considers the human body as several rigid masses interconnected by springs and dampers. In this study, concept of mass of interconnecting springs has been incorporated and eigenvalues thus obtained are found to be closer to the values reported in the literature. Results obtained clearly establish decoupling of vertical and fore-and-aft oscillations. The mathematical modelling of human body vibration studies help in validating the experimental investigations for ride comfort of a sitting subject. This study clearly establishes the decoupling of vertical and fore-and-aft vibrations and helps in better understanding of possible human response to single and multi-axial excitations.

  7. 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.

  8. Does ℏ play a role in multidimensional spectroscopy? Reduced hierarchy equations of motion approach to molecular vibrations.

    Science.gov (United States)

    Sakurai, Atsunori; Tanimura, Yoshitaka

    2011-04-28

    To investigate the role of quantum effects in vibrational spectroscopies, we have carried out numerically exact calculations of linear and nonlinear response functions for an anharmonic potential system nonlinearly coupled to a harmonic oscillator bath. Although one cannot carry out the quantum calculations of the response functions with full molecular dynamics (MD) simulations for a realistic system which consists of many molecules, it is possible to grasp the essence of the quantum effects on the vibrational spectra by employing a model Hamiltonian that describes an intra- or intermolecular vibrational motion in a condensed phase. The present model fully includes vibrational relaxation, while the stochastic model often used to simulate infrared spectra does not. We have employed the reduced quantum hierarchy equations of motion approach in the Wigner space representation to deal with nonperturbative, non-Markovian, and nonsecular system-bath interactions. Taking the classical limit of the hierarchy equations of motion, we have obtained the classical equations of motion that describe the classical dynamics under the same physical conditions as in the quantum case. By comparing the classical and quantum mechanically calculated linear and multidimensional spectra, we found that the profiles of spectra for a fast modulation case were similar, but different for a slow modulation case. In both the classical and quantum cases, we identified the resonant oscillation peak in the spectra, but the quantum peak shifted to the red compared with the classical one if the potential is anharmonic. The prominent quantum effect is the 1-2 transition peak, which appears only in the quantum mechanically calculated spectra as a result of anharmonicity in the potential or nonlinearity of the system-bath coupling. While the contribution of the 1-2 transition is negligible in the fast modulation case, it becomes important in the slow modulation case as long as the amplitude of the

  9. Modeling and Tuning for Vibration Energy Harvesting using a Piezoelectric Bimorph

    Science.gov (United States)

    Cao, Yongqing

    With the development of wireless sensors and other devices, the need for continuous power supply with high reliability is growing ever more. The traditional battery power supply has the disadvantage of limited duration of continuous power supply capability so that replacement for new batteries has to be done regularly. This can be quite inconvenient and sometimes quite difficult especially when the sensors are located in places not easily accessible such as the inside of a machine or wild field. This situation stimulates the development of renewable power supply which can harvest energy from the environment. The use of piezoelectric materials to converting environment vibration to electrical energy is one of the alternatives of which a broad range of research has been done by many researchers, focusing on different issues. The improvement of efficiency is one of the most important issues in vibration based energy harvesting. For this purpose different methods are devised and more accurate modeling of coupled piezoelectric mechanical systems is investigated. In the current paper, the research is focused on improving voltage generation of a piezoelectric bimorph on a vibration beam, as well as the analytical modeling of the same system. Also an initial study is conducted on the characteristics of the vibration of Zinc oxide (ZnO) nanowire, which is a promising material for its coupled semiconducting and piezoelectric properties. The effect on the voltage generation by different placement of the piezoelectric bimorph on the vibrating beam is investigated. The relation between the voltage output and the curvature is derived which is used to explain the effect of placement on voltage generation. The effect of adding a lumped mass on the modal frequencies of the beam and on the curvature distribution is investigated. The increased voltage output from the piezoelectric bimorph by using appropriately selected mass is proved analytically and also verified by experiment. For

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

    CSIR Research Space (South Africa)

    Loveday, PW

    1996-01-01

    Full Text Available which is closed at one end with discrete piezoceramic actuation and sensing elements bonded close to the open end. The operation of the gyroscope and the effect of imperfections are briefly described. The model allows direct comparison with experimental...

  11. Vibrations of turbine blades bundles model with rubber damping elements

    Czech Academy of Sciences Publication Activity Database

    Půst, Ladislav; Pešek, Luděk

    2014-01-01

    Roč. 21, č. 1 (2014), s. 45-52 ISSN 1802-1484 R&D Projects: GA ČR GA101/09/1166 Institutional support: RVO:61388998 Keywords : mathematical model * bundle of five blades * rubber damping elements * eigenmodes Subject RIV: BI - Acoustics http://www.engineeringmechanics.cz/obsahy.html?R=21&C=1

  12. MODELLING AND VIBRATION ANALYSIS OF A ROAD PROFILE MEASURING SYSTEM

    Directory of Open Access Journals (Sweden)

    C. B. Patel

    2010-06-01

    Full Text Available During a vehicle development program, load data representing severe customer usage is required. The dilemma faced by a design engineer during the design process is that during the initial stage, only predicted loads estimated from historical targets are available, whereas the actual loads are available only at the fag end of the process. At the same time, changes required, if any, are easier and inexpensive during the initial stages of the design process whereas they are extremely costly in the latter stages of the process. The use of road profiles and vehicle models to predict the load acting on the whole vehicle is currently being researched. This work hinges on the ability to accurately measure road profiles. The objective of the work is to develop an algorithm, using MATLAB Simulink software, to convert the input signals into measured road profile. The algorithm is checked by the MATLAB Simulink 4 degrees of freedom half car model. To make the whole Simulink model more realistic, accelerometer and laser sensor properties are introduced. The present work contains the simulation of the mentioned algorithm with a half car model and studies the results in distance, time, and the frequency domain.

  13. Vibrational collective model for spheric even-even nuclei

    International Nuclear Information System (INIS)

    Cruz, M.T.F. da.

    1985-01-01

    A review is made on the evidences of collective motions in spherical even-even nuclei. The several multipole transitions occuring in such a nuclei are discussed. Some hypothesis which are necessary in order to build-up the model are presented. (L.C.) [pt

  14. Nonlinear Model of Vibrating Screen to Determine Permissible Spring Deterioration for Proper Separation

    Directory of Open Access Journals (Sweden)

    Cristian G. Rodriguez

    2016-01-01

    Full Text Available Springs of vibrating screens are prone to fatigue induced failure because they operate in a heavy duty environment, with abrasive dust and under heavy cyclic loads. If a spring breaks, the stiffness at supporting positions changes, and therefore the amplitude of motion and the static and dynamic angular inclination of deck motion also change. This change in the amplitude and in the inclination of motion produces a reduction in separation efficiency. Available models are useful to determine motion under nominal operating conditions when angular displacement is not significant. However in practice there is significant angular motion during startup, during shutdown, or under off-design operating conditions. In this article, a two-dimensional three-degree-of-freedom nonlinear model that considers significant angular motion and damping is developed. The proposed model allows the prediction of vibrating screen behavior when there is a reduction in spring stiffness. Making use of this model for an actual vibrating screen in operation in industry has permitted determining a limit for spring’s failure before separation efficiency is affected. This information is of practical value for operation and maintenance staff helping to determine whether or not it is necessary to change springs, and hence optimizing stoppage time.

  15. Numerical investigation of two control rod models for vibration noise in two dimensions

    International Nuclear Information System (INIS)

    Pazsit, I.; Garis, N.S.

    1995-01-01

    In two previous publications it was investigated how the spatial structure of neutron noise, induced by the vibration of localized absorbers, depends on (a) the strength of the rod (i.e. an investigation of the applicability of the weak absorber approximation), and (b) the way the vibrating absorbers are modelled. A quantitative analysis of both items was performed in 1-D. In 2-D, however, only analytical formulae were given. The purpose of this paper is to present a quantitative analysis of the above two problems in 2-D. The results show that the domain of applicability of the weak absorber approximation is smaller in 2-D than in the 1-D case. On the other hand, the choice of the rod model plays a much less significant role in 2-D. (author)

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

    Science.gov (United States)

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

    2018-03-01

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

  17. Modeling and control of lateral vibration of an axially translating flexible link

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Heon Seop; Rhim, Sung Soo [Kyung Hee University, Yongin (Korea, Republic of)

    2015-01-15

    Manipulators used for the transportation of large panel-shape payloads often adopt long and slender links (or forks) with translational joins to carry the payloads. As the size of the payload increases, the length of the links also increases to hold the payload securely. The increased length of the link inevitably amplifies the effect of the flexure in the link. Intuitively, the translational motion of the link in its longitudinal direction should have no effect on the lateral vibration of the link because of the orthogonality between the direction of the translational motion and the lateral vibration. If, however, the link was flexible and translated horizontally (perpendicular to the gravitational field) the asymmetric deflection of the link caused by gravity would break the orthogonality between the two directions, and the longitudinal motion of the link would excite lateral motion in the link. In this paper, the lateral oscillatory motion of the flexible link in a large-scale solar cell panel handling robot is investigated where the links carry the panel in its longitudinal direction. The Newtonian approach in conjunction with the assumed modes method is used for derivation of the equation of motion for the flexible forks where non-zero control force is applied at the base of the link. The analysis illustrates the effect of longitudinal motion on the lateral vibration and dynamic stiffening effect (variation of the natural frequency) of the link due to the translational velocity. Lateral vibration behavior is simulated using the derived equations of the motion. A robust vibration control scheme, the input shaping filter technique, is implemented on the model and the effectiveness of the scheme is verified numerically.

  18. Modeling and control of lateral vibration of an axially translating flexible link

    International Nuclear Information System (INIS)

    Shin, Heon Seop; Rhim, Sung Soo

    2015-01-01

    Manipulators used for the transportation of large panel-shape payloads often adopt long and slender links (or forks) with translational joins to carry the payloads. As the size of the payload increases, the length of the links also increases to hold the payload securely. The increased length of the link inevitably amplifies the effect of the flexure in the link. Intuitively, the translational motion of the link in its longitudinal direction should have no effect on the lateral vibration of the link because of the orthogonality between the direction of the translational motion and the lateral vibration. If, however, the link was flexible and translated horizontally (perpendicular to the gravitational field) the asymmetric deflection of the link caused by gravity would break the orthogonality between the two directions, and the longitudinal motion of the link would excite lateral motion in the link. In this paper, the lateral oscillatory motion of the flexible link in a large-scale solar cell panel handling robot is investigated where the links carry the panel in its longitudinal direction. The Newtonian approach in conjunction with the assumed modes method is used for derivation of the equation of motion for the flexible forks where non-zero control force is applied at the base of the link. The analysis illustrates the effect of longitudinal motion on the lateral vibration and dynamic stiffening effect (variation of the natural frequency) of the link due to the translational velocity. Lateral vibration behavior is simulated using the derived equations of the motion. A robust vibration control scheme, the input shaping filter technique, is implemented on the model and the effectiveness of the scheme is verified numerically.

  19. Active vibration control using state space LQG and internal model control methods

    DEFF Research Database (Denmark)

    Mørkholt, Jakob; Elliott, S.J.

    1998-01-01

    Two ways of designing discrete time robust H2-controllers for feedback broadband active vibration control are compared through computer simulations. The methods are based on different models of disturbance and plant transfer functions, but yield controllers with identical properties. Two simple...... ways of introducing robustness into the H2-design are compared, and finally an efficient way of designing a practical IIR-controller is proposed....

  20. Comparison of Vibrational Relaxation Modeling for Strongly Non-Equilibrium Flows

    Science.gov (United States)

    2014-01-01

    important pro- cess in a wide range of high speed flows. High temperature shock layers that form in front of hypersonic vehicles can lead to significant...continuum flows for use in traditional Computational Fluid Dynamics ( CFD ) and non-continuum flows for use with rarefied flow de- scriptions, such as the...145 .98 4396 V. Summary and Conclusions The form of two vibrational relaxation models that are commonly used in DSMC and CFD simula- tions have been

  1. Vibration Stabilization of a Mechanical Model of a X-Band Linear Collider Final Focus Magnet

    CERN Document Server

    Frisch, J; Decker, V; Hendrickson, L; Markiewicz, T W; Partridge, R; Seryi, Andrei

    2004-01-01

    The small beam sizes at the interaction point of a X-band linear collider require mechanical stabilization of the final focus magnets at the nanometer level. While passive systems provide adequate performance at many potential sites, active mechanical stabilization is useful if the natural or cultural ground vibration is higher than expected. A mechanical model of a room temperature linear collider final focus magnet has been constructed and actively stabilized with an accelerometer based system.

  2. Vibration Stabilization of a Mechanical Model of a X-Band Linear Collider Final Focus Magnet

    International Nuclear Information System (INIS)

    Frisch, Josef; Chang, Allison; Decker, Valentin; Doyle, Eric; Eriksson, Leif; Hendrickson, Linda; Himel, Thomas; Markiewicz, Thomas; Partridge, Richard; Seryi, Andrei; SLAC

    2006-01-01

    The small beam sizes at the interaction point of a X-band linear collider require mechanical stabilization of the final focus magnets at the nanometer level. While passive systems provide adequate performance at many potential sites, active mechanical stabilization is useful if the natural or cultural ground vibration is higher than expected. A mechanical model of a room temperature linear collider final focus magnet has been constructed and actively stabilized with an accelerometer based system

  3. Performance of a reduced-order FSI model for flow-induced vocal fold vibration

    Science.gov (United States)

    Luo, Haoxiang; Chang, Siyuan; Chen, Ye; Rousseau, Bernard; PhonoSim Team

    2017-11-01

    Vocal fold vibration during speech production involves a three-dimensional unsteady glottal jet flow and three-dimensional nonlinear tissue mechanics. A full 3D fluid-structure interaction (FSI) model is computationally expensive even though it provides most accurate information about the system. On the other hand, an efficient reduced-order FSI model is useful for fast simulation and analysis of the vocal fold dynamics, which can be applied in procedures such as optimization and parameter estimation. In this work, we study performance of a reduced-order model as compared with the corresponding full 3D model in terms of its accuracy in predicting the vibration frequency and deformation mode. In the reduced-order model, we use a 1D flow model coupled with a 3D tissue model that is the same as in the full 3D model. Two different hyperelastic tissue behaviors are assumed. In addition, the vocal fold thickness and subglottal pressure are varied for systematic comparison. The result shows that the reduced-order model provides consistent predictions as the full 3D model across different tissue material assumptions and subglottal pressures. However, the vocal fold thickness has most effect on the model accuracy, especially when the vocal fold is thin.

  4. Vibration tests on some models of PEC reactor core elements

    International Nuclear Information System (INIS)

    Bonacina, G.; Castoldi, A.; Zola, M.; Cecchini, F.; Martelli, A.; Vincenzi, D.

    1982-01-01

    This paper describes the aims of the experimental tests carried out at ISMES, within an agreement with the Department of Fast Reactors of ENEA, on some models of the elements of PEC Fast Nuclear Reactor Core in the frame of the activities for the seismic verification of the PEC core. The seismic verification is briefly described with particular attention to the problems arising from the shocks among the various elements during an earthquake, as well as the computer code used, the purpose and the techniques used to perform tests, some results and the first comparison between the theory and the experimental data

  5. Surface quality prediction model of nano-composite ceramics in ultrasonic vibration-assisted ELID mirror grinding

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Bo; Chen, Fan; Jia, Xiao-feng; Zhao, Chong-yang; Wang, Xiao-bo [Henan Polytechnic University, Jiaozuo (China)

    2017-04-15

    Ultrasonic vibration-assisted Electrolytic in-process dressing (ELID) grinding is a highly efficient and highly precise machining method. The surface quality prediction model in ultrasonic vibration-assisted ELID mirror grinding was studied. First, the interaction between grits and workpiece surface was analyzed according to kinematic mechanics, and the surface roughness model was developed. The variations in surface roughness under different parameters was subsequently calculated and analyzed by MATLAB. Results indicate that compared with the ordinary ELID grinding, ultrasonic vibration-assisted ELID grinding is superior, because it has more stable and better surface quality and has an improved range of ductile machining.

  6. Dirac bound states of anharmonic oscillator in external fields

    International Nuclear Information System (INIS)

    Hamzavi, Majid; Ikhdair, Sameer M.; Falaye, Babatunde J.

    2014-01-01

    We explore the effect of the external magnetic and Aharonov–Bohm (AB) flux fields on the energy levels of Dirac particle subjects to mixed scalar and vector anharmonic oscillator field in the two-dimensional (2D) space. We calculate the exact energy eigenvalues and the corresponding un-normalized two-spinor-components wave functions in terms of the chemical potential parameter, magnetic field strength, AB flux field and magnetic quantum number by using the Nikiforov–Uvarov (NU) method. -- Highlights: • Effect of the external fields on the energy levels of Dirac particle with the anharmonic oscillator is investigated. • The solutions are discussed in view of spin and pseudospin symmetries limits. • The energy levels and wave function are presented by the Nikiforov–Uvarov method

  7. Anharmonic phonons and magnons in BiFeO3

    Energy Technology Data Exchange (ETDEWEB)

    Delaire, Olivier A [ORNL; Ma, Jie [ORNL; Stone, Matthew B [ORNL; Huq, Ashfia [ORNL; Gout, Delphine J [ORNL; Brown, Craig [National Institute of Standards and Technology (NIST); Wang, Kefeng [Nanjing National Laboratory of Microstructures, Nanjing University, Nanjing; Ren, Zhifeng [Boston College, Chestnut Hill

    2012-01-01

    The phonon density of states (DOS) and magnetic excitation spectrum of polycrystalline BiFeO3 were measured for temperatures 200 < T < 750K , using inelastic neutron scattering (INS). Our results indicate that the magnetic spectrum of BiFeO3 closely resembles that of similar Fe perovskites, such as LaFeO3, despite the cycloid modulation in BiFeO3. We do not find any evidence for a spin gap. A strong T-dependence of the phonon DOS was found, with a marked broadening of the whole spectrum, providing evidence of strong anharmonicity. This anharmonicity is corroborated by large amplitude motions of Bi and O ions observed with neutron diffraction. These results highlight the importance of spin-phonon coupling in this material.

  8. Instantons and Borel resummability for the perturbed supersymmetric anharmonic oscillator

    International Nuclear Information System (INIS)

    Verbaarschot, J.J.M.; West, P.

    1991-01-01

    In this paper we give an analytical derivation of the large-order behavior of the perturbation series for both the ground state and the excited states of the supersymmetric anharmonic oscillator and of the anharmonic oscillator obtained from the supersymmetric case by varying the strength of the fermion coupling. The results which are obtained with the help of instanton calculus coincide with those obtained numerically in previous work. The large-order perturbation series of the ground state vanishes in the supersymmetric case, whereas away from the supersymmetric point the perturbation series diverges factorially. The perturbation series of the excited states diverges factorially both at the supersymmetric point and away from this point

  9. Finite-element time evolution operator for the anharmonic oscillator

    Science.gov (United States)

    Milton, Kimball A.

    1995-01-01

    The finite-element approach to lattice field theory is both highly accurate (relative errors approximately 1/N(exp 2), where N is the number of lattice points) and exactly unitary (in the sense that canonical commutation relations are exactly preserved at the lattice sites). In this talk I construct matrix elements for dynamical variables and for the time evolution operator for the anharmonic oscillator, for which the continuum Hamiltonian is H = p(exp 2)/2 + lambda q(exp 4)/4. Construction of such matrix elements does not require solving the implicit equations of motion. Low order approximations turn out to be extremely accurate. For example, the matrix element of the time evolution operator in the harmonic oscillator ground state gives a results for the anharmonic oscillator ground state energy accurate to better than 1 percent, while a two-state approximation reduces the error to less than 0.1 percent.

  10. Stochastic model to monitor mechanical vibrations in pressurized water reactors

    International Nuclear Information System (INIS)

    Shieh, D.J.; Upadhyaya, B.R.

    1984-01-01

    The feasibility of using neutron flux and core-exit temperature signals in PWRs for estimating core coolant flow velocity has been demonstrated using normal operational data from both the LOFT reactor and a commerical PWR. The LOFT analysis further showed that the core coolant velocity can be accurately monitored for various flow rates using the linear phase-frequency relationship in the frequency range 0.1 to 2 Hz. The development of the technique for monitoring core coolant velocity in PWRs provides a valuable alternative for flow measurement. Theoretical studies of core heat transfer in PWRs showed that the fluctuating heat sources have a dominating effect on the core-exit temperature compared to fluctuations of the coolant flow rate and core inlet coolant temperature. In the present analysis a detailed distributed parameter model of a PWR core was developed with the purpose of studying the following aspects of core coolant flow rate measurement: the mechanisms causing linear phase relationship between neutron flux and coolant temperature signals due to various perturbation sources; the effect of axial flux shape on the phase slope (or estimated transit delay time); and the relationship between transit delay time and effective distance of temperature noise propagation to maintain the flow velocity invariant

  11. Uncertainty modeling in vibration, control and fuzzy analysis of structural systems

    CERN Document Server

    Halder, Achintya; Ayyub, Bilal M

    1997-01-01

    This book gives an overview of the current state of uncertainty modeling in vibration, control, and fuzzy analysis of structural and mechanical systems. It is a coherent compendium written by leading experts and offers the reader a sampling of exciting research areas in several fast-growing branches in this field. Uncertainty modeling and analysis are becoming an integral part of system definition and modeling in many fields. The book consists of ten chapters that report the work of researchers, scientists and engineers on theoretical developments and diversified applications in engineering sy

  12. Folding-type coupling potentials in the context of the generalized rotation-vibration model

    Science.gov (United States)

    Chamon, L. C.; Morales Botero, D. F.

    2018-03-01

    The generalized rotation-vibration model was proposed in previous works to describe the structure of heavy nuclei. The model was successfully tested in the description of experimental results related to the electron-nucleus elastic and inelastic scattering. In the present work, we consider heavy-ion collisions and assume this model to calculate folding-type coupling potentials for inelastic states, through the corresponding transition densities. As an example, the method is applied to coupled-channel data analyses for the α + 70,72,74,76Ge systems.

  13. Rotational-vibrational coupling in the BPS Skyrme model of baryons

    Energy Technology Data Exchange (ETDEWEB)

    Adam, C.; Naya, C.; Sanchez-Guillen, J. [Departamento de Física de Partículas, Universidad de Santiago de Compostela and Instituto Galego de Física de Altas Enerxias (IGFAE), E-15782 Santiago de Compostela (Spain); Wereszczynski, A. [Institute of Physics, Jagiellonian University, Reymonta 4, Kraków (Poland)

    2013-11-04

    We calculate the rotational-vibrational spectrum in the BPS Skyrme model for the hedgehog skyrmion with baryon number one. The resulting excitation energies for the nucleon and delta Roper resonances are slightly above their experimental values. Together with the fact that in the standard Skyrme model these excitation energies are significantly lower than the experimental ones, this provides strong evidence for the conjecture that the inclusion of the BPS Skyrme model is required for a successful quantitative description of physical properties of baryons and nuclei.

  14. Computer Program for Inelastic Neutron Scattering by an Anharmonic Crystal

    International Nuclear Information System (INIS)

    Bohlin, L.; Ebbsjoe, I.; Hoegberg, T.

    1969-02-01

    A description is given of the program SAW (Shift and Width), which calculates the energy-dependent shift and width of the intensity peaks obtained for thermal neutrons scattered inelastically by an anharmonic crystal. The program has been coded in FORTRAN IV and may be applied to every solid with a monatomic face-centered cubic lattice where the intermolecular interactions can be described by a centro-symmetrical potential. Interactions beyond third neighbours are neglected

  15. Computer Program for Inelastic Neutron Scattering by an Anharmonic Crystal

    Energy Technology Data Exchange (ETDEWEB)

    Bohlin, L; Ebbsjoe, I; Hoegberg, T

    1969-02-15

    A description is given of the program SAW (Shift and Width), which calculates the energy-dependent shift and width of the intensity peaks obtained for thermal neutrons scattered inelastically by an anharmonic crystal. The program has been coded in FORTRAN IV and may be applied to every solid with a monatomic face-centered cubic lattice where the intermolecular interactions can be described by a centro-symmetrical potential. Interactions beyond third neighbours are neglected.

  16. A microscopic derivation of nuclear collective rotation-vibration model and its application to nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Gulshani, P., E-mail: matlap@bell.net [NUTECH Services, 3313 Fenwick Crescent, Mississauga, Ontario, L5L 5N1 (Canada)

    2016-07-07

    We derive a microscopic version of the successful phenomenological hydrodynamic model of Bohr-Davydov-Faessler-Greiner for collective rotation-vibration motion of an axially symmetric deformed nucleus. The derivation is not limited to small oscillation amplitude. The nuclear Schrodinger equation is canonically transformed to collective co-ordinates, which is then linearized using a constrained variational method. The associated constraints are imposed on the wavefunction rather than on the particle co-ordinates. The approach yields three self-consistent, time-reversal invariant, cranking-type Schrodinger equations for the rotation-vibration and intrinsic motions, and a self-consistency equation. For harmonic oscillator mean-field potentials, these equations are solved in closed forms for excitation energy, cut-off angular momentum, and other nuclear properties for the ground-state rotational band in some deformed nuclei. The results are compared with measured data.

  17. Suppression of chaotic vibrations in a nonlinear half-car model

    Energy Technology Data Exchange (ETDEWEB)

    Tusset, Ângelo Marcelo, E-mail: tusset@utfpr.edu.br, E-mail: piccirillo@utfpr.edu.br, E-mail: fcjanzen@utfpr.edu.br, E-mail: wagner-barth@hotmail.com; Piccirillo, Vinícius, E-mail: tusset@utfpr.edu.br, E-mail: piccirillo@utfpr.edu.br, E-mail: fcjanzen@utfpr.edu.br, E-mail: wagner-barth@hotmail.com; Janzen, Frederic Conrad, E-mail: tusset@utfpr.edu.br, E-mail: piccirillo@utfpr.edu.br, E-mail: fcjanzen@utfpr.edu.br, E-mail: wagner-barth@hotmail.com; Lenz, Wagner Barth, E-mail: tusset@utfpr.edu.br, E-mail: piccirillo@utfpr.edu.br, E-mail: fcjanzen@utfpr.edu.br, E-mail: wagner-barth@hotmail.com [UTFPR- PONTA GROSSA, PR (Brazil); Balthazar, José Manoel, E-mail: jmbaltha@rc.unesp.br [UNESP-BAURU, SP (Brazil); Fonseca Brasil, Reyolando M. L. R. da, E-mail: reyolando.brasil@ufabc.edu.br [UFABC-SANTO ANDRE, SP (Brazil)

    2014-12-10

    The present work investigates the nonlinear response of a half-car model. The disturbances of the road are assumed to be sinusoidal. After constructing the bifurcation diagram, we using the 0-1 test for identify the chaotic motion. The principal objective of this study is to eliminate the chaotic behaviour of the chassis and reduce its vibration, and for this reason a control system for semi-active vehicle suspension with magnetorheological damper is proposed. The control mechanism is designed based on SDRE technique, where the control parameter is the voltage applied to the coil of the damper. Numerical results show that the proposed control method is effective in significantly reducing of the chassis vibration, increasing therefore, passenger comfort.

  18. Validation of a Methodology to Predict Micro-Vibrations Based on Finite Element Model Approach

    Science.gov (United States)

    Soula, Laurent; Rathband, Ian; Laduree, Gregory

    2014-06-01

    This paper presents the second part of the ESA R&D study called "METhodology for Analysis of structure- borne MICro-vibrations" (METAMIC). After defining an integrated analysis and test methodology to help predicting micro-vibrations [1], a full-scale validation test campaign has been carried out. It is based on a bread-board representative of typical spacecraft (S/C) platform consisting in a versatile structure made of aluminium sandwich panels equipped with different disturbance sources and a dummy payload made of a silicon carbide (SiC) bench. The bread-board has been instrumented with a large set of sensitive accelerometers and tests have been performed including back-ground noise measurement, modal characterization and micro- vibration tests. The results provided responses to the perturbation coming from a reaction wheel or cryo-cooler compressors, operated independently then simultaneously with different operation modes. Using consistent modelling and associated experimental characterization techniques, a correlation status has been assessed by comparing test results with predictions based on FEM approach. Very good results have been achieved particularly for the case of a wheel in sweeping rate operation with test results over-predicted within a reasonable margin lower than two. Some limitations of the methodology have also been identified for sources operating at a fixed rate or coming with a small number of dominant harmonics and recommendations have been issued in order to deal with model uncertainties and stay conservative.

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

    Science.gov (United States)

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

    2018-04-01

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

  20. Analysis of bit-rock interaction during stick-slip vibrations using PDC cutting force model

    Energy Technology Data Exchange (ETDEWEB)

    Patil, P.A.; Teodoriu, C. [Technische Univ. Clausthal, Clausthal-Zellerfeld (Germany). ITE

    2013-08-01

    Drillstring vibration is one of the limiting factors maximizing the drilling performance and also causes premature failure of drillstring components. Polycrystalline diamond compact (PDC) bit enhances the overall drilling performance giving the best rate of penetrations with less cost per foot but the PDC bits are more susceptible to the stick slip phenomena which results in high fluctuations of bit rotational speed. Based on the torsional drillstring model developed using Matlab/Simulink for analyzing the parametric influence on stick-slip vibrations due to drilling parameters and drillstring properties, the study of relations between weight on bit, torque on bit, bit speed, rate of penetration and friction coefficient have been analyzed. While drilling with the PDC bits, the bit-rock interaction has been characterized by cutting forces and the frictional forces. The torque on bit and the weight on bit have both the cutting component and the frictional component when resolved in horizontal and vertical direction. The paper considers that the bit is undergoing stick-slip vibrations while analyzing the bit-rock interaction of the PDC bit. The Matlab/Simulink bit-rock interaction model has been developed which gives the average cutting torque, T{sub c}, and friction torque, T{sub f}, values on cutters as well as corresponding average weight transferred by the cutting face, W{sub c}, and the wear flat face, W{sub f}, of the cutters value due to friction.

  1. Modeling and experimental characterization of a new piezoelectric sensor for low-amplitude vibration measurement

    International Nuclear Information System (INIS)

    Hou, X Y; Koh, C G; Kuang, K S C; Lee, W H

    2017-01-01

    This paper investigates the capability of a novel piezoelectric sensor for low-frequency and low-amplitude vibration measurement. The proposed design effectively amplifies the input acceleration via two amplifying mechanisms and thus eliminates the use of the external charge amplifier or conditioning amplifier typically employed for measurement system. The sensor is also self-powered, i.e. no external power unit is required. Consequently, wiring and electrical insulation for on-site measurement are considerably simpler. In addition, the design also greatly reduces the interference from rotational motion which often accompanies the translational acceleration to be measured. An analytical model is developed based on a set of piezoelectric constitutive equations and beam theory. Closed-form expression is derived to correlate sensor geometry and material properties with its dynamic performance. Experimental calibration is then carried out to validate the analytical model. After calibration, experiments are carried out to check the feasibility of the new sensor in structural vibration detection. From experimental results, it is concluded that the proposed sensor is suitable for measuring low-frequency and low-amplitude vibrations. (paper)

  2. Quantum versus semiclassical description of self-trapping: Anharmonic effects

    International Nuclear Information System (INIS)

    Raghavan, S.; Bishop, A.R.; Kenkre, V.M.

    1999-01-01

    Self-trapping has been traditionally studied on the assumption that quasiparticles interact with harmonic phonons and that this interaction is linear in the displacement of the phonon. To complement recent semiclassical studies of anharmonicity and nonlinearity in this context, we present below a fully quantum-mechanical analysis of a two-site system, where the oscillator is described by a tunably anharmonic potential, with a square well with infinite walls and the harmonic potential as its extreme limits, and wherein the interaction is nonlinear in the oscillator displacement. We find that even highly anharmonic polarons behave similar to their harmonic counterparts in that self-trapping is preserved for long times in the limit of strong coupling, and that the polaronic tunneling time scale depends exponentially on the polaron binding energy. Further, in agreement, with earlier results related to harmonic polarons, the semiclassical approximation agrees with the full quantum result in the massive oscillator limit of small oscillator frequency and strong quasiparticle-oscillator coupling. copyright 1999 The American Physical Society

  3. Certain Type Turbofan Engine Whole Vibration Model with Support Looseness Fault and Casing Response Characteristics

    Directory of Open Access Journals (Sweden)

    H. F. Wang

    2014-01-01

    Full Text Available Support looseness fault is a type of common fault in aeroengine. Serious looseness fault would emerge under larger unbalanced force, which would cause excessive vibration and even lead to rubbing fault, so it is important to analyze and recognize looseness fault effectively. In this paper, based on certain type turbofan engine structural features, a rotor-support-casing whole model for certain type turbofan aeroengine is established. The rotor and casing systems are modeled by means of the finite element beam method; the support systems are modeled by lumped-mass model; the support looseness fault model is also introduced. The coupled system response is obtained by numerical integral method. In this paper, based on the casing acceleration signals, the impact characteristics of symmetrical stiffness and asymmetric stiffness models are analyzed, finding that the looseness fault would lead to the longitudinal asymmetrical characteristics of acceleration time domain wave and the multiple frequency characteristics, which is consistent with the real trial running vibration signals. Asymmetric stiffness looseness model is verified to be fit for aeroengine looseness fault model.

  4. The construction of partner potential from the general potential anharmonic in D-dimensional Schrodinger system

    Science.gov (United States)

    Suparmi; Cari, C.; Wea, K. N.; Wahyulianti

    2018-03-01

    The Schrodinger equation is the fundamental equation in quantum physics. The characteristic of the particle in physics potential field can be explained by using the Schrodinger equation. In this study, the solution of 4 dimensional Schrodinger equation for the anharmonic potential and the anharmonic partner potential have done. The method that used to solve the Schrodinger equation was the ansatz wave method, while to construction the partner potential was the supersymmetric method. The construction of partner potential used to explain the experiment result that cannot be explained by the original potential. The eigenvalue for anharmonic potential and the anharmonic partner potential have the same characteristic. Every increase of quantum orbital number the eigenvalue getting smaller. This result corresponds to Bohrn’s atomic theory that the eigenvalue is inversely proportional to the atomic shell. But the eigenvalue for the anharmonic partner potential higher than the eigenvalue for the anharmonic original potential.

  5. A comprehensive model for in-plane and out-of-plane vibration of CANDU fuel endplate rings

    Energy Technology Data Exchange (ETDEWEB)

    Yu, S.D., E-mail: syu@ryerson.ca; Fadaee, M.

    2016-08-01

    Highlights: • Proposed an effective method for modelling bending and torsional vibration of CANDU fuel endplate rings. • Applied successfully the thick plate theory to curved structural members by accounting for the transverse shear effect. • The proposed method is computationally more efficient compared to the 3D finite element. - Abstract: In this paper, a comprehensive vibration model is developed for analysing in-plane and out-of-plane vibration of CANDU fuel endplate rings by taking into consideration the effects of in-plane extension in the circumferential and radial directions, shear, and rotatory inertia. The model is based on Reddy’s thick plate theory and the nine-node isoparametric Lagrangian plate finite elements. Natural frequencies of various modes of vibration of circular rings obtained using the proposed method are compared with 3D finite element results, experimental data and results available in the literature. Excellent agreement was achieved.

  6. Study of Piezoelectric Vibration Energy Harvester with non-linear conditioning circuit using an integrated model

    Science.gov (United States)

    Manzoor, Ali; Rafique, Sajid; Usman Iftikhar, Muhammad; Mahmood Ul Hassan, Khalid; Nasir, Ali

    2017-08-01

    Piezoelectric vibration energy harvester (PVEH) consists of a cantilever bimorph with piezoelectric layers pasted on its top and bottom, which can harvest power from vibrations and feed to low power wireless sensor nodes through some power conditioning circuit. In this paper, a non-linear conditioning circuit, consisting of a full-bridge rectifier followed by a buck-boost converter, is employed to investigate the issues of electrical side of the energy harvesting system. An integrated mathematical model of complete electromechanical system has been developed. Previously, researchers have studied PVEH with sophisticated piezo-beam models but employed simplistic linear circuits, such as resistor, as electrical load. In contrast, other researchers have worked on more complex non-linear circuits but with over-simplified piezo-beam models. Such models neglect different aspects of the system which result from complex interactions of its electrical and mechanical subsystems. In this work, authors have integrated the distributed parameter-based model of piezo-beam presented in literature with a real world non-linear electrical load. Then, the developed integrated model is employed to analyse the stability of complete energy harvesting system. This work provides a more realistic and useful electromechanical model having realistic non-linear electrical load unlike the simplistic linear circuit elements employed by many researchers.

  7. Modeling the interference of vortex-induced vibration and galloping for a slender rectangular prism

    Science.gov (United States)

    Mannini, Claudio; Massai, Tommaso; Marra, Antonino Maria

    2018-04-01

    Several bluff bodies in an airflow, such as rectangular cylinders with moderate side ratio, in particular conditions of mass and damping can experience the interference of vortex-induced vibration (VIV) and galloping. This promotes a combined instability, which one may call "unsteady galloping", with peculiar features and possibly large vibration amplitudes in flow speed ranges where no excitation is predicted by classical theories. The mathematical model proposed between the 70's and the 80's by Prof. Y. Tamura to simulate this phenomenon was considered here for the case study of a two-dimensional rectangular cylinder with a side ratio of 1.5, having the shorter section side perpendicular to the smooth airflow. This wake-oscillator model relies on the linear superposition of the unsteady wake force producing VIV excitation and the quasi-steady force that is responsible for galloping. The model formulation was slightly modified, and the way to determine a crucial parameter was changed, revealing a previously unexplored behavior of the equations. In the present form, the model is able to predict the dynamic response of the rectangular cylinder with a satisfactory qualitative and, to a certain extent, quantitative agreement with the experimental data, although the limitations of the present approach are clearly highlighted in the paper. The mathematical modeling of unsteady galloping and the analysis of the results offer a deep insight into this complicated phenomenon and its nonlinear features. The model also represents a useful engineering tool to estimate the vibration of a structure or structural element for which the interference of VIV and galloping is envisaged.

  8. Numerical Modelling of Building Vibrations due to Railway Traffic: Analysis of the Mitigation Capacity of a Wave Barrier

    Directory of Open Access Journals (Sweden)

    Fran Ribes-Llario

    2017-01-01

    Full Text Available Transmission of train-induced vibrations to buildings located in the vicinity of the track is one of the main negative externalities of railway transport, since both human comfort and the adequate functioning of sensitive equipment may be compromised. In this paper, a 3D FEM model is presented and validated with data from a real track stretch near Barcelona, Spain. Furthermore, a case study is analyzed as an application of the model, in order to evaluate the propagation and transmission of vibrations induced by the passage of a suburban train to a nearby 3-storey building. As a main outcome, vertical vibrations in the foundation slab are found to be maximum in the corners, while horizontal vibrations keep constant along the edges. The propagation within the building structure is also studied, concluding that vibrations invariably increase in their propagation upwards the building. Moreover, the mitigation capacity of a wave barrier acting as a source isolation is assessed by comparing vibration levels registered in several points of the building structure with and without the barrier. In this regard, the wave barrier is found to effectively reduce vibration in both the soil and the structure.

  9. A THEORETICAL STUDY AND 3D MODELING OF NONLINEAR PASSIVE VIBRATION ISOLATOR

    OpenAIRE

    Sabyasachi Mukherjee

    2017-01-01

    The study of sound and vibration are closely related. Sound or "pressure waves" are generated by vibrating structures (e.g. vocal cords); these pressure waves can also induce the vibration of structures (e.g. ear drum). Hence, when trying to reduce noise it is often a problem in trying to reduce vibration. The high speed engines and machines when mounted on foundations and supports cause vibrations of excessive amplitude because of unbalance forces setup during their working. These are the di...

  10. ir overtone spectrum of the vibrational soliton in crystalline acetanilide

    International Nuclear Information System (INIS)

    Scott, A.C.; Gratton, E.; Shyamsunder, E.; Careri, G.

    1985-01-01

    The self-trapping (soliton) theory which was recently developed to account for the anomalous amide-I band at 1650 cm -1 in crystalline acetanilide (a model system for protein) has been extended to predict the anharmonicity constant of the overtone spectrum. These infrared-active overtones which have been detected at 3250, 4803, and 6304 cm -1 yield an anharmonicity constant that is in good agreement with the theory

  11. ir overtone spectrum of the vibrational soliton in crystalline acetanilide

    Science.gov (United States)

    Scott, A. C.; Gratton, E.; Shyamsunder, E.; Careri, G.

    1985-10-01

    The self-trapping (soliton) theory which was recently developed to account for the anomalous amide-I band at 1650 cm-1 in crystalline acetanilide (a model system for protein) has been extended to predict the anharmonicity constant of the overtone spectrum. These infrared-active overtones which have been detected at 3250, 4803, and 6304 cm-1 yield an anharmonicity constant that is in good agreement with the theory.

  12. Histologic Comparison of Vibrating Guidewire with Conventional Guidewire Technique in an Experimental Coronary In Vivo Model

    International Nuclear Information System (INIS)

    Katsouras, Christos S.; Michalis, Lampros K.; Malamou-Mitsi, Vassiliki D.; Niokou, Demetra; Giogiakas, Vassilios; Nikas, Dimitrios; Massouras, Gerasimos; Dallas, Pavlos; Tsetis, Dimitrios K.; Sideris, Dimitris A.; Rees, Michael R.

    2003-01-01

    Purpose: To compare the damage caused by vibrating guidewire manipulation and conventional guidewire manipulation of soft coronary wires in normal sheep coronary arteries. Methods: Using an intact sheep model the two methods of passing a coronary guidewire down a normal coronary artery under fluoroscopic screening control were studied. The resulting arterial damage caused by the two techniques was studied histologically. The severity of damage was scored from 1 (no damage) to 4 (severe damage) and expressed as: (a) percentage of damaged sections, (b) mean damage score per section and (c) percentage of sections suffering the most severe degree of damage (scores 3 and 4). Results: One hundred and sixty-eight sections were studied.The percentage of damaged sections was lower in the vibrating guidewire group (p 0.004). The mean damage score and the percentage of sections with a damage score of 3 or 4 were smaller in the vibrating guidewire group than in the conventional guidewire manipulation group (p = 0.001 and p =0.009, respectively). Conclusions: Both methods of guidewire manipulation cause identifiable vascular damage. The extent and severity of damage appear greater when the guidewire is manipulated manually

  13. A nonlocal, ab initio model of dissociative electron attachment and vibrational excitation of NO

    International Nuclear Information System (INIS)

    Trevisan, Cynthia S.; Houfek, Karel; Zhang, Zhiyong; Orel, Ann E.; McCurdy, C. William; Rescigno, Thomas N.

    2005-01-01

    We present the results of an ab initio study of elastic scattering and vibrational excitation of NO by electron impact in the loW--energy (0-2 eV) region where the cross sections are dominated by resonance contributions. The 3Sigma-, 1Delta and 1Sigma+ NO- resonance lifetimes are taken from our earlier study [Phys. Rev. A 69, 062711 (2004)], but the resonance energies used here are obtained from new configuration-interaction studies. Here we employ a more elaborate nonlocal treatment of the nuclear dynamics, which is found to remedy the principal deficiencies of the local complex potential model we employed in our earlier study, and gives cross sections in better agreement with the most recent experiments. We also present cross sections for dissociative electron attachment to NO leading to groundstate products. The calculations show that, while the peak cross sections starting from NO in its ground vibrational state are very small, the cross sections are extremely sensitive to vibrational excitation of the target and should be readily observable for target NO molecules excited to v = 10 and above

  14. Airy function approach and Numerov method to study the anharmonic oscillator potentials V(x = Ax2α + Bx2

    Directory of Open Access Journals (Sweden)

    N. Al Sdran

    2016-06-01

    Full Text Available The numerical solutions of the time independent Schrödinger equation of different one-dimensional potentials forms are sometime achieved by the asymptotic iteration method. Its importance appears, for example, on its efficiency to describe vibrational system in quantum mechanics. In this paper, the Airy function approach and the Numerov method have been used and presented to study the oscillator anharmonic potential V(x = Ax2α + Bx2, (A>0, B<0, with (α = 2 for quadratic, (α =3 for sextic and (α =4 for octic anharmonic oscillators. The Airy function approach is based on the replacement of the real potential V(x by a piecewise-linear potential v(x, while, the Numerov method is based on the discretization of the wave function on the x-axis. The first energies levels have been calculated and the wave functions for the sextic system have been evaluated. These specific values are unlimited by the magnitude of A, B and α. It’s found that the obtained results are in good agreement with the previous results obtained by the asymptotic iteration method for α =3.

  15. Fluctuations and Anharmonicity in Lead Iodide Perovskites from Molecular Dynamics Supercell Simulationss

    KAUST Repository

    Carignano, Marcelo Andrés

    2017-09-05

    We present a systematic study based on first principles molecular dynamics simulations of lead iodide perovskites with three different cations, including methylammonium (MA), formamidinium (FA) and cesium. Using the high temperature perovskite structure as a reference, we investigate the instabilities that develop as the material is cooled down to 370 K. All three perovskites display anharmonicity in the motion of the iodine atoms, with the stronger effect observed for the MAPbI$_3$ and CsPbI$_3$. At high temperature, this behavior can be traced back to the reduced effective size of the Cs$^+$ and MA$^+$ cations. MAPbI$_3$ undergoes a spontaneous phase transition within our simulation model driven by the dipolar interaction between neighboring MA cations as the temperature is decreased from 450 K. The reverse transformation from tetragonal to cubic is also monitored through the large distribution of the octahedral tilting angles accompanied by an increase in the anharmonicity of the iodine atoms motion. Both MA and FA hybrid perovskites show a strong coupling between the molecular orientations and the local lattice deformations, suggesting mixed order-disorder/displacive characters of the high temperature phase transitions.

  16. Non-Gaussian wave packet dynamics in anharmonic potential: Cumulant expansion treatment

    International Nuclear Information System (INIS)

    Toutounji, Mohamad

    2015-01-01

    This manuscript utilizes cumulant expansion as an alternative algebraic approach to evaluating integrals and solving a system of nonlinear differential equations for probing anharmonic dynamics in condensed phase systems using Morse oscillator. These integrals and differential equations become harder to solve as the anharmonicity of the system goes beyond that of Morse oscillator description. This algebraic approach becomes critically important in case of Morse oscillator as it tends to exhibit divergent dynamics and numerical uncertainties at low temperatures. The autocorrelation function is calculated algebraically and compared to the exact one for they match perfectly. It is also compared to the approximate autocorrelation function using the differential equations technique reported in Toutounji (2014) for weak and strong electron–phonon coupling cases. It is found that the present cumulant method is more efficient, and easier to use, than the exact expression. Deviation between the approximate autocorrelation function and the exact autocorrelation function starts to arise as the electron–phonon coupling strength increases. The autocorrelation function obtained using cumulants identically matches the exact autocorrelation function, thereby surpassing the approach presented in Toutounji (2014). The advantage of the present methodology is its applicability to various types of electron–phonon coupling cases. Additionally, the herein approach only uses algebraic techniques, thereby avoiding both the divergence integral and solving a set of linear first- and second-order partial differential equations as was done in previous work. Model calculations are presented to demonstrate the accuracy of the herein work

  17. Random vibration sensitivity studies of modeling uncertainties in the NIF structures

    International Nuclear Information System (INIS)

    Swensen, E.A.; Farrar, C.R.; Barron, A.A.; Cornwell, P.

    1996-01-01

    The National Ignition Facility is a laser fusion project that will provide an above-ground experimental capability for nuclear weapons effects simulation. This facility will achieve fusion ignition utilizing solid-state lasers as the energy driver. The facility will cover an estimated 33,400 m 2 at an average height of 5--6 stories. Within this complex, a number of beam transport structures will be houses that will deliver the laser beams to the target area within a 50 microm ms radius of the target center. The beam transport structures are approximately 23 m long and reach approximately heights of 2--3 stories. Low-level ambient random vibrations are one of the primary concerns currently controlling the design of these structures. Low level ambient vibrations, 10 -10 g 2 /Hz over a frequency range of 1 to 200 Hz, are assumed to be present during all facility operations. Each structure described in this paper will be required to achieve and maintain 0.6 microrad ms laser beam pointing stability for a minimum of 2 hours under these vibration levels. To date, finite element (FE) analysis has been performed on a number of the beam transport structures. Certain assumptions have to be made regarding structural uncertainties in the FE models. These uncertainties consist of damping values for concrete and steel, compliance within bolted and welded joints, and assumptions regarding the phase coherence of ground motion components. In this paper, the influence of these structural uncertainties on the predicted pointing stability of the beam line transport structures as determined by random vibration analysis will be discussed

  18. A simple steel/water model for preliminary studies of acoustic vibration in LMFBR

    International Nuclear Information System (INIS)

    Bentley, P.G.; Firth, D.; Rowley, R.; Beesley, M.

    1977-01-01

    One source of vibration excitation in Liquid Metal Fast Breeder Reactors is the acoustic energy which is generated by the circulating pump and transmitted through the fluid to various structural components. Since most of the energy occurs at fairly low frequencies, that of low harmonies of blade passing frequency, only the very large components have resonant frequencies such that they are significantly excited. To gain some preliminary understanding of the extent and magnitude of vibration in fast reactors therefore, a simple model has been constructed in which only the major components are represented. The modelling theory is discussed and it is shown that adequate representation of the steel/sodium reactor materials can be obtained in the model based on the use of steel/water. The model represents a pool design with a primary tank of 3 1/4 metres diameter and typical components scaled in proportion; however, it does not necessarily relate to any specific reactor design. The pump acoustic source is represented by an underwater loudspeaker system and vibration amplitudes are scaled according to typical pressures generated by reactor circulators. Results from the model include calibration data for the acoustic source and measurements of acoustic pressure throughout the primary flow circuit and the inner and outer pools. Stresses are measured on structural components over a frequency range scaled from reactor frequencies and compensated for the characteristics of the acoustic source. Appreciable stresses are found on all the components in the primary circuit, not necessarily only those close to the simulated pump source. After scaling them to reactor size and allowing for the source calibration, it is found that stresses are unlikely to be sufficiently high to cause damage

  19. Refinement of finite element model of a power plant by Ambient Vibration Test using system identification

    International Nuclear Information System (INIS)

    Murnal, Pranesh; Kotalwar, Sandip; Ramarao, A.; Sinha, S.K.; Singh, U.P.

    2008-01-01

    Finite Element Modeling is one of the efficient analytical tools for analysis of complicated structures subjected to variety of loads. However the reliability of the analyses is always questionable due to idealizations and assumptions made in the design. The model can be more realistic if it is refined based on experimental support. This paper presents refinement of finite-element model of Koyna Dam-foot Power House (KDPH) building, which is structurally complicated and asymmetrical. The dynamic properties of the building have been identified experimentally through Ambient Vibration Tests (AVT). The building has also been elaborately modeled analytically. The finite-element model is further refined so as to minimize the differences between analytical and the measured natural frequency of the building. The final refined finite-element model of KDPH building is able to produce natural frequency in good agreement with the measured natural frequency of the building. (author)

  20. Role of energy exchange in vibrational dephasing processes in liquids and solids

    International Nuclear Information System (INIS)

    Marks, S.

    1981-08-01

    Three theories which claim relevance to the dephasing of molecular vibrations in condensed phase matter are presented. All of these theories predict (in certain limiting cases) that the widths and shifts of molecular vibrations will obey an Arrhenius temperature dependence. The basic tenets of the theories are detailed so that the differences between them may be used in an experiment to distinguish between them. One model, based on intermolecular energy exchange of low-frequency modes, results in dephasing the high-frequency modes when anharmonic coupling is present. A computer analysis of temperature dependent experimental lineshapes can result in the extraction of various parameters such as the anharmonic shifts and the exchange rates. It is shown that, in order to properly assess the relative validity of the three models, other evidence must be obtained such as the spectral parameters of the low-frequency modes, the combination bands, and the isotopic dilution behavior. This evidence is presented for d 14 -durene (perdeutero-1,2,4,5-tetramethylbenzene) and compared to previous data obtained on pure h 14 -durene. An extension of the (HSC) intermolecular energy exchange model which allows for the possibility of partial delocalization of the low-frequency modes gives an adequate description of the experimental evidence. Isotopic dilution experiments, in particular, have resulted in a detailed picture of the energy transfer dynamics of the low-frequency modes. A section in which some spontaneous Raman spectra support a model of inhomogeneous broadening in liquids based on results of picosecond stimulated Raman spectroscopy is presented. The model is that a distribution of environmental sites is created by a distribution in the local density and thus creates inhomogeneous broadening

  1. Effect of anharmonicity and Debye-Waller factor on the superconductivity of PdHsub(x) and PdDsub(x)

    International Nuclear Information System (INIS)

    Griessen, R.; Groot, D.G. de

    1983-01-01

    On the basis of existing superconducting tunnelling, neutron scattering, electrical resistivity and Raman scattering data and new thermal expansion, elastic moduli and point-contact spectroscopy data it is concluded that the anharmonicity of the proton (deuteron)-palladium potential is such that Msub(H)#betta#sub(H) 2 /(Msub(D)#betta#sub(D) 2 ) = 1.12 +- 0.05 Msub(H(D)) is the mass and #betta#sub(H(D)) the frequency of the vibration of hydrogen (deuterium). This anharmonicity is approximately 2 times too weak to reproduce the observed inverse isotope effect in the superconducting transition temperature of concentrated PdHsub(x) and PdDsub(x) alloys. Within a pseudopotential formalism it is shown that the Debye-Waller factor arising from the large zero-point amplitude of the interstitial hydrogen (deuterium) leads to a contribution to the inverse isotope effect in Tsub(c) which is as large as that of anharmonicity alone. (Auth.)

  2. A mathematical model for estimating the vibration due to basting in Sarcheshmeh Copper Mine

    International Nuclear Information System (INIS)

    Hossaini, M. F.; Javaherian, A.; Pourghasemi Sagand, M.

    2002-01-01

    Ground vibration due to blasting is the research subject of many investigations. A lot of works have been done in order to estimate the quality and quantity of this blasting outcome. Mathematical models proposed by various investigators are a noticeable result of these investigations. In this paper, the origin of these mathematical models are studied and the short comes are pointed out. With aid of real data a new empirical model has been proposed. This model is some modification of the previous ones with some different parameters. This investigation is based on analyzing the data obtained by operating 14 blasts in Sarcheshmeh Copper Mine whose data have been collected by seismographs installed in the area. In the proposed model, instead of the amount of charge exploded in each delay the amount of charge the vibration due to which is designed to facilitate application of a radial confining pressure to a grouted bolt while pulling it axially. During the test, both axial displacement of the bolt as well as the radial dilation of the grout was monitored. Few deformed bolts were designed and manufactured to study the effect of the shape of the ribs. While pull out, the cement that is captured between lugs will shear which in turn emphasizes the importance of shear strength of the grout annulus. In this report, details of the laboratory test results are presented and conclusions are given based on the obtained results

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

    Science.gov (United States)

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

    2017-04-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Qingyong, E-mail: mengqingyong@dicp.ac.cn [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Zhongshan Road 457, 116023 Dalian (China); Meyer, Hans-Dieter, E-mail: hans-dieter.meyer@pci.uni-heidelberg.de [Theoretische Chemie, Physikalisch-Chemisches Institut, Ruprecht-Karls Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg (Germany)

    2015-10-28

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

  5. Modeling and analysis of Galfenol cantilever vibration energy harvester with nonlinear magnetic force

    Science.gov (United States)

    Cao, Shuying; Sun, Shuaishuai; Zheng, Jiaju; Wang, Bowen; Wan, Lili; Pan, Ruzheng; Zhao, Ran; Zhang, Changgeng

    2018-05-01

    Galfenol traditional cantilever energy harvesters (TCEHs) have bigger electrical output only at resonance and exhibit nonlinear mechanical-magnetic-electric coupled (NMMEC) behaviors. To increase low-frequency broadband performances of a TCEH, an improved CEH (ICEH) with magnetic repulsive force is studied. Based on the magnetic dipole model, the nonlinear model of material, the Faraday law and the dynamic principle, a lumped parameter NMMEC model of the devices is established. Comparisons between the calculated and measured results show that the proposed model can provide reasonable data trends of TCEH under acceleration, bias field and different loads. Simulated results show that ICEH exhibits low-frequency resonant, hard spring and bistable behaviors, thus can harvest more low-frequency broadband vibration energy than TCEH, and can elicit snap-through and generate higher voltage even under weak noise. The proposed structure and model are useful for improving performances of the devices.

  6. Consistent post-reaction vibrational energy redistribution in DSMC simulations using TCE model

    Science.gov (United States)

    Borges Sebastião, Israel; Alexeenko, Alina

    2016-10-01

    The direct simulation Monte Carlo (DSMC) method has been widely applied to study shockwaves, hypersonic reentry flows, and other nonequilibrium flow phenomena. Although there is currently active research on high-fidelity models based on ab initio data, the total collision energy (TCE) and Larsen-Borgnakke (LB) models remain the most often used chemistry and relaxation models in DSMC simulations, respectively. The conventional implementation of the discrete LB model, however, may not satisfy detailed balance when recombination and exchange reactions play an important role in the flow energy balance. This issue can become even more critical in reacting mixtures involving polyatomic molecules, such as in combustion. In this work, this important shortcoming is addressed and an empirical approach to consistently specify the post-reaction vibrational states close to thermochemical equilibrium conditions is proposed within the TCE framework. Following Bird's quantum-kinetic (QK) methodology for populating post-reaction states, the new TCE-based approach involves two main steps. The state-specific TCE reaction probabilities for a forward reaction are first pre-computed from equilibrium 0-D simulations. These probabilities are then employed to populate the post-reaction vibrational states of the corresponding reverse reaction. The new approach is illustrated by application to exchange and recombination reactions relevant to H2-O2 combustion processes.

  7. The vibrating reed frequency meter: digital investigation of an early cochlear model

    Directory of Open Access Journals (Sweden)

    Andrew Bell

    2015-10-01

    Full Text Available The vibrating reed frequency meter, originally employed by Békésy and later by Wilson as a cochlear model, uses a set of tuned reeds to represent the cochlea’s graded bank of resonant elements and an elastic band threaded between them to provide nearest-neighbour coupling. Here the system, constructed of 21 reeds progressively tuned from 45 to 55 Hz, is simulated numerically as an elastically coupled bank of passive harmonic oscillators driven simultaneously by an external sinusoidal force. To uncover more detail, simulations were extended to 201 oscillators covering the range 1–2 kHz. Calculations mirror the results reported by Wilson and show expected characteristics such as traveling waves, phase plateaus, and a response with a broad peak at a forcing frequency just above the natural frequency. The system also displays additional fine-grain features that resemble those which have only recently been recognised in the cochlea. Thus, detailed analysis brings to light a secondary peak beyond the main peak, a set of closely spaced low-amplitude ripples, rapid rotation of phase as the driving frequency is swept, frequency plateaus, clustering, and waxing and waning of impulse responses. Further investigation shows that each reed’s vibrations are strongly localised, with small energy flow along the chain. The distinctive set of equally spaced ripples is an inherent feature which is found to be largely independent of boundary conditions. Although the vibrating reed model is functionally different to the standard transmission line, its cochlea-like properties make it an intriguing local oscillator model whose relevance to cochlear mechanics needs further investigation.

  8. Low intensity, high frequency vibration training to improve musculoskeletal function in a mouse model of Duchenne muscular dystrophy.

    Directory of Open Access Journals (Sweden)

    Susan A Novotny

    Full Text Available The objective of the study was to determine if low intensity, high frequency vibration training impacted the musculoskeletal system in a mouse model of Duchenne muscular dystrophy, relative to healthy mice. Three-week old wildtype (n = 26 and mdx mice (n = 22 were randomized to non-vibrated or vibrated (45 Hz and 0.6 g, 15 min/d, 5 d/wk groups. In vivo and ex vivo contractile function of the anterior crural and extensor digitorum longus muscles, respectively, were assessed following 8 wks of vibration. Mdx mice were injected 5 and 1 days prior to sacrifice with Calcein and Xylenol, respectively. Muscles were prepared for histological and triglyceride analyses and subcutaneous and visceral fat pads were excised and weighed. Tibial bones were dissected and analyzed by micro-computed tomography for trabecular morphometry at the metaphysis, and cortical geometry and density at the mid-diaphysis. Three-point bending tests were used to assess cortical bone mechanical properties and a subset of tibiae was processed for dynamic histomorphometry. Vibration training for 8 wks did not alter trabecular morphometry, dynamic histomorphometry, cortical geometry, or mechanical properties (P ≥ 0.34. Vibration did not alter any measure of muscle contractile function (P ≥ 0.12; however the preservation of muscle function and morphology in mdx mice indicates vibration is not deleterious to muscle lacking dystrophin. Vibrated mice had smaller subcutaneous fat pads (P = 0.03 and higher intramuscular triglyceride concentrations (P = 0.03. These data suggest that vibration training at 45 Hz and 0.6 g did not significantly impact the tibial bone and the surrounding musculature, but may influence fat distribution in mice.

  9. On the dependence of the OH* Meinel emission altitude on vibrational level: SCIAMACHY observations and model simulations

    Directory of Open Access Journals (Sweden)

    J. P. Burrows

    2012-09-01

    Full Text Available Measurements of the OH Meinel emissions in the terrestrial nightglow are one of the standard ground-based techniques to retrieve upper mesospheric temperatures. It is often assumed that the emission peak altitudes are not strongly dependent on the vibrational level, although this assumption is not based on convincing experimental evidence. In this study we use Envisat/SCIAMACHY (Scanning Imaging Absorption spectroMeter for Atmospheric CHartographY observations in the near-IR spectral range to retrieve vertical volume emission rate profiles of the OH(3-1, OH(6-2 and OH(8-3 Meinel bands in order to investigate whether systematic differences in emission peak altitudes can be observed between the different OH Meinel bands. The results indicate that the emission peak altitudes are different for the different vibrational levels, with bands originating from higher vibrational levels having higher emission peak altitudes. It is shown that this finding is consistent with the majority of the previously published results. The SCIAMACHY observations yield differences in emission peak altitudes of up to about 4 km between the OH(3-1 and the OH(8-3 band. The observations are complemented by model simulations of the fractional population of the different vibrational levels and of the vibrational level dependence of the emission peak altitude. The model simulations reproduce the observed vibrational level dependence of the emission peak altitude well – both qualitatively and quantitatively – if quenching by atomic oxygen as well as multi-quantum collisional relaxation by O2 is considered. If a linear relationship between emission peak altitude and vibrational level is assumed, then a peak altitude difference of roughly 0.5 km per vibrational level is inferred from both the SCIAMACHY observations and the model simulations.

  10. Vibrational behavior of adaptive aircraft wing structures modelled as composite thin-walled beams

    Science.gov (United States)

    Song, O.; Librescu, L.; Rogers, C. A.

    1992-01-01

    The vibrational behavior of cantilevered aircraft wings modeled as thin-walled beams and incorporating piezoelectric effects is studied. Based on the converse piezoelectric effect, the system of piezoelectric actuators conveniently located on the wing yield the control of its associated vertical and lateral bending eigenfrequencies. The possibility revealed by this study enabling one to increase adaptively the eigenfrequencies of thin-walled cantilevered beams could play a significant role in the control of the dynamic response and flutter of wing and rotor blade structures.

  11. Taking into account for the Pauli principle in particle-vibrator model

    International Nuclear Information System (INIS)

    Knyaz'kov, O.M.

    1985-01-01

    To construct Hamiltonian of the particle interaction and phonons a semimicroscopic approach developed by the author earlier is used. At that the Pauli principle is taken account of in local formalism of density matrix. Analytical expressions permitting in a closed form to solve a task of taking account of the Pauli principle in the particle-vibrator model have been derived. Unlike a phenomenological approach form factors of inelastic transitions are determined with parameters of effective nucleon-nucleon forces, central and transition densities and contain no free parameters

  12. Decision tree based knowledge acquisition and failure diagnosis using a PWR loop vibration model

    International Nuclear Information System (INIS)

    Bauernfeind, V.; Ding, Y.

    1993-01-01

    An analytical vibration model of the primary system of a 1300 MW PWR was used for simulating mechanical faults. Deviations in the calculated power density spectra and coherence functions are determined and classified. The decision tree technique is then used for a personal computer supported knowledge presentation and for optimizing the logical relationships between the simulated faults and the observed symptoms. The optimized decision tree forms the knowledge base and can be used to diagnose known cases as well as to include new data into the knowledge base if new faults occur. (author)

  13. Active vibration absorber for the CSI evolutionary model - Design and experimental results. [Controls Structures Interaction

    Science.gov (United States)

    Bruner, Anne M.; Belvin, W. Keith; Horta, Lucas G.; Juang, Jer-Nan

    1991-01-01

    The development of control of large flexible structures technology must include practical demonstrations to aid in the understanding and characterization of controlled structures in space. To support this effort, a testbed facility has been developed to study practical implementation of new control technologies under realistic conditions. The paper discusses the design of a second order, acceleration feedback controller which acts as an active vibration absorber. This controller provides guaranteed stability margins for collocated sensor/actuator pairs in the absence of sensor/actuator dynamics and computational time delay. Experimental results in the presence of these factors are presented and discussed. The robustness of this design under model uncertainty is demonstrated.

  14. Simultaneous measurements of disk vibration and pressure fluctuation in turbulent flow developing in a model hard disk drive

    Energy Technology Data Exchange (ETDEWEB)

    Kurashima, D.; Naka, Y.; Fukagata, K. [Department of Mechanical Engineering, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama 223-8522 (Japan); Obi, S., E-mail: obsn@mech.keio.ac.jp [Department of Mechanical Engineering, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama 223-8522 (Japan)

    2011-06-15

    The complex flow features inside hard disk drive models are investigated in an axisymmetric and a semi-open shroud configurations. For the axisymmetric case, we have employed both experimental and computational approaches. The experiment focuses on both flow dynamics and the disk vibration, where measurements of the fluctuating pressure and velocity are undertaken at some representative points. The correlation between the disk vibration and the fluctuating pressure in the turbulent flow between disks is evident from the spectral analysis. The experimentally observed fluctuating pressure and velocity are partly due to the disk vibration and its contribution could be estimated by comparing the experiment with the results of a large eddy simulation. For the semi-open shroud case, although the characteristic peaks attributable to the large-scale vortical structure are still observed in the power spectra, the pressure fluctuation and the disk vibration are suppressed when the arm is inserted.

  15. Forced vibration analysis of a Timoshenko cracked beam using a continuous model for the crack

    Directory of Open Access Journals (Sweden)

    Mahdi Heydari

    2014-12-01

    Full Text Available In this paper, forced flexural vibration of a cracked beam is studied by using a continuous bilinear model for the displacement field. The effects of shear deformation and rotary inertia are considered in the model. The governing equation of motion for the beam is obtained using the Hamilton principle and based on the proposed displacement field. The equation of motion is given for a general force distribution. Then, the equation of motion has been solved for a concentrated force to present a numerical simulation of the method. The frequency response diagrams obtained from this study are compared with the finite element results to demonstrate the accuracy of the method. The results are also compared to results of a similar model with Euler-Bernoulli assumptions to confirm the advantages of the proposed model in the case of short beams.

  16. Small-amplitude vibrations at a finite temperature in the liquid drop model

    International Nuclear Information System (INIS)

    Providencia, J. da Jr.

    1991-01-01

    The ground state of a hot nucleus is studied in the classical limit. The equations of motion and boundary conditions of the liquid drop model are derived from the variational principle. The effect of the surface tension is taken into account. The temperature dependence of small-amplitude vibrations in the liquid drop model is investigated. It is shown that the breathing mode suffers a 6.3% decrease in energy when the temperature increases from 0 to 5 MeV. The present model allows for a description of surface modes with an A -1/2 dependence of the energy. It is also found that the surface modes will show an appreciable temperature dependence if a reasonable temperature dependence of the surface tension is postulated. It is shown that the model satisfies the energy-weighted sum rule and the inverse energy-weighted sum rule. (orig.)D

  17. Modeling and imaging of the vocal fold vibration for voice health

    DEFF Research Database (Denmark)

    Granados, Alba

    Identication of abnormalities on the vocal fold by means of dierent diagnostic methods is a key step to determine the cause or causes of a voice disorder, and subsequently give an adequate treatment. To this end, clinical investigations benet from accurate mathematical models for prediction......, analysis and inference. This thesis deals with biomechanical models of the vocal fold, specially of the collision, and laryngeal videoendoscopic analysis procedures suitable for the inference of the underlying vocal fold characteristics. The rst part of this research is devoted to frictionless contact...... modeling during asymmetric vocal fold vibration. The prediction problem is numerically addressed with a self-sustained three-dimensional nite element model of the vocal fold with position-based contact constraints. A novel contact detection mechanism is shown to successfully detect collision in asymmetric...

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

    Directory of Open Access Journals (Sweden)

    Omar Gaber

    2014-01-01

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

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

    Science.gov (United States)

    Ghatge, Mayur; Tabrizian, Roozbeh

    2018-03-01

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

  20. Quantum vibrational polarons: Crystalline acetanilide revisited

    Science.gov (United States)

    Hamm, Peter; Edler, Julian

    2006-03-01

    We discuss a refined theoretical description of the peculiar spectroscopy of crystalline acetanilide (ACN). Acetanilide is a molecular crystal with quasi-one-dimensional chains of hydrogen-bonded units, which is often regarded as a model system for the vibrational spectroscopy of proteins. In linear spectroscopy, the CO stretching (amide I) band of ACN features a double-peak structure, the lower of which shows a pronounced temperature dependence which has been discussed in the context of polaron theory. In nonlinear spectroscopy, both of these peaks respond distinctly differently. The lower-frequency band exhibits the anharmonicity expected from polaron theory, while the higher-frequency band responds as if it were quasiharmonic. We have recently related the response of the higher-frequency band to that of a free exciton [J. Edler and P. Hamm, J. Chem. Phys. 117, 2415 (2002)]. However, as discussed in the present paper, the free exciton is not an eigenstate of the full quantum version of the Holstein polaron Hamiltonian, which is commonly used to describe these phenomena. In order to resolve this issue, we present a numerically exact solution of the Holstein polaron Hamiltonian in one dimension (1D) and 3D. In 1D, we find that the commonly used displaced oscillator picture remains qualitatively correct, even for relatively large exciton coupling. However, the result is not in agreement with the experiment, as it fails to explain the free-exciton band. In contrast, when taking into account the 3D nature of crystalline acetanilide, certain parameter regimes exist where the displaced oscillator picture breaks down and states appear in the spectrum that indeed exhibit the characteristics of a free exciton. The appearance of these states is a speciality of vibrational polarons, whose source of exciton coupling is transition dipole coupling which is expected to have opposite signs of interchain and intrachain coupling.

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

    Science.gov (United States)

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

    2012-01-01

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

  2. Study of thermophysical and anharmonic properties of fluorite compounds

    International Nuclear Information System (INIS)

    Singh, R.K.; Pandey, N.K.

    1983-01-01

    An extensive study is made of thermophysical and anharmonic properties of fluorite compounds using an interionic potential, which consists of a long-range Coulomb and three-body interactions and the short-range overlap repulsion and van der Waals attraction. The agreement achieved between experimental and theoretical results on third-order elastic constants and pressure derivatives of second order elastic constants are generally better than those obtained by others. This potential succeeds in predicting various thermophysical properties, like compressibility and its pressure and temperature derivatives, thermal expansion and Grueneisen parameters of seven crystals of fluorite structure. (author)

  3. A combined Raman spectroscopic and theoretical investigation of fundamental vibrational bands of furfuryl alcohol (2-furanmethanol)

    DEFF Research Database (Denmark)

    Barsberg, S.; Berg, Rolf W.

    2006-01-01

    . study of FA in weakly interacting environments. It is the first study of FA vibrational properties based on d. functional theory (DFT/B3LYP), and a recently proposed hybrid approach to the calcn. of fundamental frequencies, which also includes an anharmonic contribution. FA occupies five different...

  4. Steady-state mechanical squeezing and ground-state cooling of a Duffing anharmonic oscillator in an optomechanical cavity assisted by a nonlinear medium

    Science.gov (United States)

    Momeni, F.; Naderi, M. H.

    2018-05-01

    In this paper, we study theoretically a hybrid optomechanical system consisting of a degenerate optical parametric amplifier inside a driven optical cavity with a moving end mirror which is modeled as a stiffening Duffing-like anharmonic quantum mechanical oscillator. By providing analytical expressions for the critical values of the system parameters corresponding to the emergence of the multistability behavior in the steady-state response of the system, we show that the stiffening mechanical Duffing anharmonicity reduces the width of the multistability region while the optical parametric nonlinearity can be exploited to drive the system toward the multistability region. We also show that for appropriate values of the mechanical anharmonicity strength the steady-state mechanical squeezing and the ground-state cooling of the mechanical resonator can be achieved. Moreover, we find that the presence of the nonlinear gain medium can lead to the improvement of the mechanical anharmonicity-induced cooling of the mechanical motion, as well as to the mechanical squeezing beyond the standard quantum limit of 3 dB.

  5. Transfer matrix method for dynamics modeling and independent modal space vibration control design of linear hybrid multibody system

    Science.gov (United States)

    Rong, Bao; Rui, Xiaoting; Lu, Kun; Tao, Ling; Wang, Guoping; Ni, Xiaojun

    2018-05-01

    In this paper, an efficient method of dynamics modeling and vibration control design of a linear hybrid multibody system (MS) is studied based on the transfer matrix method. The natural vibration characteristics of a linear hybrid MS are solved by using low-order transfer equations. Then, by constructing the brand-new body dynamics equation, augmented operator and augmented eigenvector, the orthogonality of augmented eigenvector of a linear hybrid MS is satisfied, and its state space model expressed in each independent model space is obtained easily. According to this dynamics model, a robust independent modal space-fuzzy controller is designed for vibration control of a general MS, and the genetic optimization of some critical control parameters of fuzzy tuners is also presented. Two illustrative examples are performed, which results show that this method is computationally efficient and with perfect control performance.

  6. Remarks on the choice of trial hamiltonians for the quantum statistical treatment of anharmonic systems

    International Nuclear Information System (INIS)

    Tsallis, C.; Valle, J.W.F.

    1979-01-01

    The use of the Variational Method to discuss Quantum Statistical Mechanics of anharmonic systems requires, in order to be able to obtain the correct classical limit, the allowance for renormalization of every operator whose definition depends on the harmonic coefficients. The point is exhibited for a single anharmonic oscillator. In this particular case there is no need for mass renormalization. (Author) [pt

  7. Equidistance of the complex two-dimensional anharmonic oscillator spectrum: the exact solution

    International Nuclear Information System (INIS)

    Cannata, F; Ioffe, M V; Nishnianidze, D N

    2012-01-01

    We study a class of quantum two-dimensional models with complex potentials of a specific form. They can be considered as the generalization of a recently studied model with quadratic interaction not amenable to the conventional separation of variables. In the present case, the property of shape invariance provides the equidistant form of the spectrum and the algorithm to construct eigenfunctions analytically. It is shown that the Hamiltonian is non-diagonalizable, and the resolution of identity must also include the corresponding associated functions. In the specific case of anharmonic second plus fourth-order interaction, expressions for the wavefunctions and associated functions are constructed explicitly for the lowest levels, and the recursive algorithm to produce higher level wavefunctions is given. (paper)

  8. Coulomb friction modelling in numerical simulations of vibration and wear work rate of multispan tube bundles

    International Nuclear Information System (INIS)

    Antunes, J.; Axisa, F.; Beaufils, B.; Guilbaud, D.

    1990-01-01

    The working life of heat exchanger multispan tube bundles subjected to flow-induced vibration, is heavily dependent on nonlinear interaction between the loosely supported tubes and their supports. Reliable wear prediction techniques must account for a number of factors controlling impact-sliding tube response, such as tube support gap, contact stiffness, impact damping, Coulomb friction and squeeze film effect at supports. Tube fretting wear potential risk may then be adequately quantified by an equivalent wear work rate. A simple model is presented which accounts for the key aspects of dry friction and is well suited to the efficient explicit numerical integration schemes, specifically through nonlinear model superposition. Extensive parametric two-dimensional simulations, under random vibration induced by flow turbulence, are presented. Also, the effect of permanent tube-support preload, arising from cross flow drag, tube-support misalignment and thermal expansion, is investigated. Results show that frictional forces consistently reduce wear work rates, which decrease for high values of the coefficient of friction. Such reductions may be extremely important for the limiting case when preload and frictional forces are of sufficient magnitude to overcome dynamic forces, preventing tube-support relative motion. (author)

  9. Mathematical Modeling of a Transient Vibration Control Strategy Using a Switchable Mass Stiffness Compound System

    Directory of Open Access Journals (Sweden)

    Diego Francisco Ledezma-Ramirez

    2014-01-01

    Full Text Available A theoretical control strategy for residual vibration control resulting from a shock pulse is studied. The semiactive control strategy is applied in a piecewise linear compound model and involves an on-off logic to connect and disconnect a secondary mass stiffness system from the primary isolation device, with the aim of providing high energy dissipation for lightly damped systems. The compound model is characterized by an energy dissipation mechanism due to the inelastic collision between the two masses and then viscous damping is introduced and its effects are analyzed. The objective of the simulations is to evaluate the transient vibration response in comparison to the results for a passive viscously damped single degree-of-freedom system considered as the benchmark or reference case. Similarly the decay in the compound system is associated with an equivalent decay rate or logarithmic decrement for direct comparison. It is found how the compound system provides improved isolation compared to the passive system, and the damping mechanisms are explained.

  10. Nonlinear mathematical modeling of vibrating motion of nanomechanical cantilever active probe

    Directory of Open Access Journals (Sweden)

    Reza Ghaderi

    Full Text Available Nonlinear vibration response of nanomechanical cantilever (NMC active probes in atomic force microscope (AFM application has been studied in the amplitude mode. Piezoelectric layer is placed piecewise and as an actuator on NMC. Continuous beam model has been chosen for analysis with regard to the geometric discontinuities of piezoelectric layer attachment and NMC's cross section. The force between the tip and the sample surface is modeled using Leonard-Jones potential. Assuming that cantilever is inclined to the sample surface, the effect of nonlinear force on NMC is considered as a shearing force and the concentrated bending moment is regarded at the end. Nonlinear frequency response of NMC is obtained close to the sample surface using the dynamic modeling. It is then become clear that the distance and angle of NMC, the probe length, and the geometric dimensions of piezoelectric layer can affect frequency response bending of the curve.

  11. Modeling the dynamic stiffness of cracked reinforced concrete beams under low-amplitude vibration loads

    Science.gov (United States)

    Xu, Tengfei; Castel, Arnaud

    2016-04-01

    In this paper, a model, initially developed to calculate the stiffness of cracked reinforced concrete beams under static loading, is used to assess the dynamic stiffness. The model allows calculating the average inertia of cracked beams by taking into account the effect of bending cracks (primary cracks) and steel-concrete bond damage (i.e. interfacial microcracks). Free and forced vibration experiments are used to assess the performance of the model. The respective influence of bending cracks and steel-concrete bond damage on both static and dynamic responses is analyzed. The comparison between experimental and simulated deflections confirms that the effects of both bending cracks and steel-concrete bond loss should be taken into account to assess reinforced concrete stiffness under service static loading. On the contrary, comparison of experimental and calculated dynamic responses reveals that localized steel-concrete bond damages do not influence significantly the dynamic stiffness and the fundamental frequency.

  12. Vibration analysis of rotating nanobeam systems using Eringen's two-phase local/nonlocal model

    Science.gov (United States)

    Khaniki, Hossein Bakhshi

    2018-05-01

    Due to the inability of differential form of nonlocal elastic theory in modelling cantilever beams and inaccurate results for some type of boundaries, in this study, a reliable investigation on transverse vibrational behavior of rotating cantilever size-dependent beams is presented. Governing higher order equations are written in the framework of Eringen's two-phase local/nonlocal model and solved using a modified generalized differential quadrature method. In order to indicate the influence of different material and scale parameters, a comprehensive parametric study is presented. It is shown that increasing the nonlocality term leads to lower natural frequency terms for cantilever nanobeams especially for the fundamental frequency parameter which differential nonlocal model is unable to track appropriately. Moreover, it is shown that rotating speed and hub radius have a remarkable effect in varying the mechanical behavior of rotating cantilever nanobeams. This study is a step forward in analyzing nanorotors, nanoturbines, nanoblades, etc.

  13. Resummation of divergent perturbation series: Application to the vibrational states of H2CO molecule.

    Science.gov (United States)

    Duchko, A N; Bykov, A D

    2015-10-21

    Large-order Rayleigh-Schrödinger perturbation theory (RSPT) is applied to the calculation of anharmonic vibrational energy levels of H2CO molecule. We use the model of harmonic oscillators perturbed by anharmonic terms of potential energy. Since the perturbation series typically diverge due to strong couplings, we apply the algebraic approximation technique because of its effectiveness shown earlier by Goodson and Sergeev [J. Chem. Phys. 110, 8205 (1999); ibid. 124, 094111 (2006)] and in our previous articles [A. D. Bykov et al. Opt. Spectrosc. 114, 396 (2013); ibid. 116, 598 (2014)]. To facilitate the resummation of terms contributing to perturbed states, when resonance mixing between states is especially strong and perturbation series diverge very quick, we used repartition of the Hamiltonian by shifting the normal mode frequencies. Energy levels obtained by algebraic approximants were compared with the results of variational calculation. It was found that for low energy states (up to ∼5000 cm(-1)), algebraic approximants gave accurate values of energy levels, which were in excellent agreement with the variational method. For highly excited states, strong and multiple resonances complicate series resummation, but a suitable change of normal mode frequencies allows one to reduce the resonance mixing and to get accurate energy levels. The theoretical background of the problem of RSPT series divergence is discussed along with its numerical analysis. For these purposes, the vibrational energy is considered as a function of a complex perturbation parameter. Layout and classification of its singularities allow us to model the asymptotic behavior of the perturbation series and prove the robustness of the algorithm.

  14. Resummation of divergent perturbation series: Application to the vibrational states of H2CO molecule

    International Nuclear Information System (INIS)

    Duchko, A. N.; Bykov, A. D.

    2015-01-01

    Large-order Rayleigh–Schrödinger perturbation theory (RSPT) is applied to the calculation of anharmonic vibrational energy levels of H 2 CO molecule. We use the model of harmonic oscillators perturbed by anharmonic terms of potential energy. Since the perturbation series typically diverge due to strong couplings, we apply the algebraic approximation technique because of its effectiveness shown earlier by Goodson and Sergeev [J. Chem. Phys. 110, 8205 (1999); ibid. 124, 094111 (2006)] and in our previous articles [A. D. Bykov et al. Opt. Spectrosc. 114, 396 (2013); ibid. 116, 598 (2014)]. To facilitate the resummation of terms contributing to perturbed states, when resonance mixing between states is especially strong and perturbation series diverge very quick, we used repartition of the Hamiltonian by shifting the normal mode frequencies. Energy levels obtained by algebraic approximants were compared with the results of variational calculation. It was found that for low energy states (up to ∼5000 cm −1 ), algebraic approximants gave accurate values of energy levels, which were in excellent agreement with the variational method. For highly excited states, strong and multiple resonances complicate series resummation, but a suitable change of normal mode frequencies allows one to reduce the resonance mixing and to get accurate energy levels. The theoretical background of the problem of RSPT series divergence is discussed along with its numerical analysis. For these purposes, the vibrational energy is considered as a function of a complex perturbation parameter. Layout and classification of its singularities allow us to model the asymptotic behavior of the perturbation series and prove the robustness of the algorithm

  15. The monopole and quadrupole vibrations of a hot nucleus

    International Nuclear Information System (INIS)

    Okolowicz, J.; Drozdz, S.; Ploszajczak, M.; Caurier, E.

    1989-03-01

    An extended time-dependent Hartree-Fock approach has been applied to a description of the isoscalar giant monopole and quadrupole vibration modes in the excited nuclear system at finite temperature. The temperature dependence of the resonance characteristics is established for both modes. In anticipation of some anharmonic effects the principle of regularity and single-valuedness has been used to extract the energies of the collective modes. (orig.)

  16. Vibrational entropies in metallic alloys

    Science.gov (United States)

    Ozolins, Vidvuds; Asta, Mark; Wolverton, Christopher

    2000-03-01

    Recently, it has been recognized that vibrational entropy can have significant effects on the phase stability of metallic alloys. Using density functional linear response calculations and molecular dynamics simulations we study three representative cases: (i) phase diagram of Al-rich Al-Sc alloys, (ii) stability of precipitate phases in CuAl_2, and (iii) phonon dynamics in bcc Zr. We find large vibrational entropy effects in all cases. In the Al-Sc system, vibrations increase the solid solubility of Sc in Al by decreasing the stability of the L12 (Al_3Sc) phase. This leads to a nearly ten-fold increase in the solid solubility of Sc in Al at T=800 K. In the Cu-Al system, our calculations predict that the tetragonal Laves phase of CuAl2 has 0.35 kB/atom higher vibrational entropy than the cubic CaF_2-type phase (the latter is predicted to be the T=0 K ground state of CuAl_2). This entropy difference causes a structural transformation in CuAl2 precipitates from the fluorite to the tetragonal Laves phase around T=500 K. Finally, we analyze the highly unusual dynamics of anharmonically stabilized bcc Zr, finding large diffuse-scattering intensity streaks between the bcc Bragg peaks.

  17. X ray absorption fine structure of systems in the anharmonic limit

    Science.gov (United States)

    Mustredeleon, J.; Conradson, S. D.; Batistic, I.; Bishop, A. R.; Raistrick, I.; Jackson, W. E.; Brown, G. E.

    A new approach to the analysis of x-ray absorption fine structure (XAFS) data is presented. It is based on the use of radial distribution functions directly calculated from a single-particle ion Hamiltonian containing model potentials. The starting point of this approach is the statistical average of the XAFS for an atomic pair. This average can be computed using a radial distribution function (RDF), which can be expressed in terms of the eigenvalues and wavefunctions associated with the model potential. The pair potential describing the ionic motion is then expressed in terms of parameters that are determined by fitting this statistical average to the experimental XAFS spectrum. This approach allows the use of XAFS as a tool for mapping near-neighbor interatomic potentials, and allows the treatment of systems which exhibit strongly anharmonic potentials which can be treated by perturbative methods. Using this method we have analyzed the high temperature behavior of the oxygen contributions to the Fe K-edge XAFS in the ferrosilicate minerals andradite (Ca3Fe2Si3O12) and magnesiowustite (Mg(0.9)Fe(0.1)O). Using a temperature dependent anharmonic correction derived from these model compounds, we have found evidence for a local structural change in the Fe-O coordination environment upon melting of the geologically important mineral fayalite (Fe2SiO4). We have also employed this method to the study of the axial oxygen contributions to the polarized Cu K-edge XAFS on oriented samples of YBa2Cu3O7 and related compounds. From this study we find evidence for an axial oxygen-centered lattice distortion accompanying the superconducting phase transition and a correlation between this distortion and Tc. The relation of the observed lattice distortion to mechanisms of superconductivity is discussed.

  18. X-ray absorption fine structure of systems in the anharmonic limit

    International Nuclear Information System (INIS)

    Mustre de Leon, J.; Conradson, S.D.; Batistic, I.; Bishop, A.R.; Raistrick, I.; Jackson, W.E.; Brown, G.E.

    1991-01-01

    A new approach to the analysis of x-ray absorption fine structure (XAFS) data is presented. It is based on the use of radial distribution functions directly calculated from a single-particle ion hamiltonian containing model potentials. The starting point of this approach is the statistical average of the XAFS for an atomic pair. This average can be computed using a radial distribution function (RDF), which can be expressed in terms of the eigenvalues and wavefunctions associated with the model potential. The pair potential describing the ionic motion is then expressed in terms of parameters that are determined by fitting this statistical average to the experimental XAFS spectrum. This approach allow the use of XAFS as a tool for mapping near-neighbor interatomic potentials, and allows the treatment of systems which exhibit strongly anharmonic potentials which can be treated by perturbative methods. Using this method we have analyzed the high temperature behavior of the oxygen contributions to the Fe K-edge XAFS in the ferrosilicate minerals andradite (Ca 3 Fe 2 Si 3 O 12 ) and magnesiowustite (Mg 0.9 Fe 0.1 O). Using a temperature dependent anharmonic correction derived from these model compounds, we have found evidence for a local structural change in the Fe-O coordination environment upon melting of the geologically important mineral fayalite (Fe 2 SiO 4 ). We have also employed this method to the study of the axial oxygen contributions to the polarized Cu K-edge XAFS on oriented samples of YBa 2 Cu 3 O 7 and related compounds. From this study we find evidence for an axial oxygen-centered lattice distortion accompanying the superconducting phase transition and a correlation between this distortion and T c . The relation of the observed lattice distortion to mechanisms of superconductivity is discussed. 33 refs., 6 figs

  19. Vibration of hydraulic machinery

    CERN Document Server

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

    2013-01-01

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

  20. An analytical method for free vibration analysis of Timoshenko beam theory applied to cracked nanobeams using a nonlocal elasticity model

    International Nuclear Information System (INIS)

    Torabi, K.; Nafar Dastgerdi, J.

    2012-01-01

    This paper is concerned with the free transverse vibration of cracked nanobeams modeled after Eringen's nonlocal elasticity theory and Timoshenko beam theory. The cracked beam is modeled as two segments connected by a rotational spring located at the cracked section. This model promotes discontinuities in rotational displacement due to bending which is proportional to bending moment transmitted by the cracked section. The governing equations of cracked nanobeams with two symmetric and asymmetric boundary conditions are derived; then these equations are solved analytically based on concerning basic standard trigonometric and hyperbolic functions. Besides, the frequency parameters and the vibration modes of cracked nanobeams for variant crack positions, crack ratio, and small scale effect parameters are calculated. The vibration solutions obtained provide a better representation of the vibration behavior of short, stubby, micro/nanobeams where the effects of small scale, transverse shear deformation and rotary inertia are significant. - Highlights: ► The free vibration analysis of cracked nanobeams is investigated. ► This study is based on the theory of nonlocal elasticity and Timoshenko beam theory. ► The small scale effect parameter greatly affects the value of natural frequencies. ► Crack reduces the natural frequencies, causes a discontinuity in the cracked section.

  1. An analytical method for free vibration analysis of Timoshenko beam theory applied to cracked nanobeams using a nonlocal elasticity model

    Energy Technology Data Exchange (ETDEWEB)

    Torabi, K., E-mail: kvntrb@KashanU.ac.ir; Nafar Dastgerdi, J., E-mail: J.nafardastgerdi@me.iut.ac.ir

    2012-08-31

    This paper is concerned with the free transverse vibration of cracked nanobeams modeled after Eringen's nonlocal elasticity theory and Timoshenko beam theory. The cracked beam is modeled as two segments connected by a rotational spring located at the cracked section. This model promotes discontinuities in rotational displacement due to bending which is proportional to bending moment transmitted by the cracked section. The governing equations of cracked nanobeams with two symmetric and asymmetric boundary conditions are derived; then these equations are solved analytically based on concerning basic standard trigonometric and hyperbolic functions. Besides, the frequency parameters and the vibration modes of cracked nanobeams for variant crack positions, crack ratio, and small scale effect parameters are calculated. The vibration solutions obtained provide a better representation of the vibration behavior of short, stubby, micro/nanobeams where the effects of small scale, transverse shear deformation and rotary inertia are significant. - Highlights: Black-Right-Pointing-Pointer The free vibration analysis of cracked nanobeams is investigated. Black-Right-Pointing-Pointer This study is based on the theory of nonlocal elasticity and Timoshenko beam theory. Black-Right-Pointing-Pointer The small scale effect parameter greatly affects the value of natural frequencies. Black-Right-Pointing-Pointer Crack reduces the natural frequencies, causes a discontinuity in the cracked section.

  2. Mathematical modeling of vibration processes in reinforced concrete structures for setting up crack initiation monitoring

    Science.gov (United States)

    Bykov, A. A.; Matveenko, B. P.; Serovaev, G. S.; Shardakov, I. N.; Shestakov, A. P.

    2015-03-01

    The contemporary construction industry is based on the use of reinforced concrete structures, but emergency situations resulting in fracture can arise in their exploitation. In a majority of cases, reinforced concrete fracture is realized as the process of crack formation and development. As a rule, the appearance of the first cracks does not lead to the complete loss of the carrying capacity but is a fracture precursor. One method for ensuring the safe operation of building structures is based on crack initiation monitoring. A vibration method for the monitoring of reinforced concrete structures is justified in this paper. An example of a reinforced concrete beam is used to consider all stages related to the analysis of the behavior of natural frequencies in the development of a crack-shaped defect and the use of the obtained numerical results for the vibration test method. The efficiency of the method is illustrated by the results of modeling of the physical part of the method related to the analysis of the natural frequency evolution as a response to the impact action in the crack development process.

  3. Modeling and experimental verification of a fan-folded vibration energy harvester for leadless pacemakers

    Science.gov (United States)

    Ansari, M. H.; Karami, M. Amin

    2016-03-01

    This paper studies energy harvesting from heartbeat vibrations for powering leadless pacemakers. Unlike traditional pacemakers, leadless pacemakers are implanted inside the heart and the pacemaker is in direct contact with the myocardium. A leadless pacemaker is in the shape of a cylinder. Thus, in order to utilize the available 3-dimensional space for the energy harvester, we choose a fan-folded 3D energy harvester. The proposed device consists of several piezoelectric beams stacked on top of each other. The volume of the energy harvester is 1 cm3 and its dimensions are 2 cm × 0.5 cm × 1 cm. Although high natural frequency is generally a major concern with micro-scale energy harvesters, by utilizing the fan-folded geometry and adding tip mass and link mass to the configuration, we reduced the natural frequency to the desired range. This fan-folded design makes it possible to generate more than 10 μ W of power per cubic centimeter. The proposed device is compatible with Magnetic Resonance Imaging. Although the proposed device is a linear energy harvester, it is relatively insensitive to the heart rate. The natural frequencies and the mode shapes of the device are calculated analytically. The accuracy of the analytical model is verified by experimental investigations. We use a closed loop shaker system to precisely replicate heartbeat vibrations in vitro.

  4. On the analytical modeling of the nonlinear vibrations of pretensioned space structures

    Science.gov (United States)

    Housner, J. M.; Belvin, W. K.

    1983-01-01

    Pretensioned structures are receiving considerable attention as candidate large space structures. A typical example is a hoop-column antenna. The large number of preloaded members requires efficient analytical methods for concept validation and design. Validation through analyses is especially important since ground testing may be limited due to gravity effects and structural size. The present investigation has the objective to present an examination of the analytical modeling of pretensioned members undergoing nonlinear vibrations. Two approximate nonlinear analysis are developed to model general structural arrangements which include beam-columns and pretensioned cables attached to a common nucleus, such as may occur at a joint of a pretensioned structure. Attention is given to structures undergoing nonlinear steady-state oscillations due to sinusoidal excitation forces. Three analyses, linear, quasi-linear, and nonlinear are conducted and applied to study the response of a relatively simple cable stiffened structure.

  5. Active vibration absorber for CSI evolutionary model: Design and experimental results

    Science.gov (United States)

    Bruner, Anne M.; Belvin, W. Keith; Horta, Lucas G.; Juang, Jer-Nan

    1991-01-01

    The development of control of large flexible structures technology must include practical demonstration to aid in the understanding and characterization of controlled structures in space. To support this effort, a testbed facility was developed to study practical implementation of new control technologies under realistic conditions. The design is discussed of a second order, acceleration feedback controller which acts as an active vibration absorber. This controller provides guaranteed stability margins for collocated sensor/actuator pairs in the absence of sensor/actuator dynamics and computational time delay. The primary performance objective considered is damping augmentation of the first nine structural modes. Comparison of experimental and predicted closed loop damping is presented, including test and simulation time histories for open and closed loop cases. Although the simulation and test results are not in full agreement, robustness of this design under model uncertainty is demonstrated. The basic advantage of this second order controller design is that the stability of the controller is model independent.

  6. Frequency and Temperature Dependence of Anharmonic Phonon Relaxation Rate in Carbon Nanotubes

    International Nuclear Information System (INIS)

    Hepplestone, S P; Srivastava, G P

    2007-01-01

    The relaxation rate of phonon modes in the (10, 10) single wall carbon nanotube undergoing three-phonon interactions at various temperatures has been studied using both qualitative and quantitative approaches based upon Fermi's Golden Rule and a quasi-elastic continuum model for the anharmonic potential. For the quantitative calculations, dispersion relations for the phonon modes were obtained from analytic expressions developed by Zhang et al. The qualitative expressions were derived using simple linear phonon dispersions relations. We show that in the high temperature regime the relaxation rate varies linearly with temperature and with the square of the frequency. In the low temperature regime we show that the relaxation rate varies exponentially with the inverse of temperature. These results have some very interesting implifications for effects for mean free path and thermal conductivity calculations

  7. Quantum effects in amplitude death of coupled anharmonic self-oscillators

    Science.gov (United States)

    Amitai, Ehud; Koppenhöfer, Martin; Lörch, Niels; Bruder, Christoph

    2018-05-01

    Coupling two or more self-oscillating systems may stabilize their zero-amplitude rest state, therefore quenching their oscillation. This phenomenon is termed "amplitude death." Well known and studied in classical self-oscillators, amplitude death was only recently investigated in quantum self-oscillators [Ishibashi and Kanamoto, Phys. Rev. E 96, 052210 (2017), 10.1103/PhysRevE.96.052210]. Quantitative differences between the classical and quantum descriptions were found. Here, we demonstrate that for quantum self-oscillators with anharmonicity in their energy spectrum, multiple resonances in the mean phonon number can be observed. This is a result of the discrete energy spectrum of these oscillators, and is not present in the corresponding classical model. Experiments can be realized with current technology and would demonstrate these genuine quantum effects in the amplitude death phenomenon.

  8. Carrier relaxation in (In,Ga)As quantum dots with magnetic field-induced anharmonic level structure

    Energy Technology Data Exchange (ETDEWEB)

    Kurtze, H.; Bayer, M. [Experimentelle Physik 2, TU Dortmund, D-44221 Dortmund (Germany)

    2016-07-04

    Sophisticated models have been worked out to explain the fast relaxation of carriers into quantum dot ground states after non-resonant excitation, overcoming the originally proposed phonon bottleneck. We apply a magnetic field along the quantum dot heterostructure growth direction to transform the confined level structure, which can be approximated by a Fock–Darwin spectrum, from a nearly equidistant level spacing at zero field to strong anharmonicity in finite fields. This changeover leaves the ground state carrier population rise time unchanged suggesting that fast relaxation is maintained upon considerable changes of the level spacing. This corroborates recent models explaining the relaxation by polaron formation in combination with quantum kinetic effects.

  9. Development of hardware system using temperature and vibration maintenance models integration concepts for conventional machines monitoring: a case study

    Science.gov (United States)

    Adeyeri, Michael Kanisuru; Mpofu, Khumbulani; Kareem, Buliaminu

    2016-03-01

    This article describes the integration of temperature and vibration models for maintenance monitoring of conventional machinery parts in which their optimal and best functionalities are affected by abnormal changes in temperature and vibration values thereby resulting in machine failures, machines breakdown, poor quality of products, inability to meeting customers' demand, poor inventory control and just to mention a few. The work entails the use of temperature and vibration sensors as monitoring probes programmed in microcontroller using C language. The developed hardware consists of vibration sensor of ADXL345, temperature sensor of AD594/595 of type K thermocouple, microcontroller, graphic liquid crystal display, real time clock, etc. The hardware is divided into two: one is based at the workstation (majorly meant to monitor machines behaviour) and the other at the base station (meant to receive transmission of machines information sent from the workstation), working cooperatively for effective functionalities. The resulting hardware built was calibrated, tested using model verification and validated through principles pivoted on least square and regression analysis approach using data read from the gear boxes of extruding and cutting machines used for polyethylene bag production. The results got therein confirmed related correlation existing between time, vibration and temperature, which are reflections of effective formulation of the developed concept.

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

    Science.gov (United States)

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

    2018-04-01

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

  11. Prediction of railway induced ground vibration through multibody and finite element modelling

    Directory of Open Access Journals (Sweden)

    G. Kouroussis

    2013-04-01

    Full Text Available The multibody approach is now recognized as a reliable and mature computer aided engineering tool. Namely, it is commonly used in industry for the design of road or railway vehicles. The paper presents a framework developed for predicting the vibrations induced by railway transportation. Firstly, the vehicle/track subsystem is simulated, on the basis of the home-made C++ library EasyDyn, by mixing the multibody model of the vehicle and the finite element model of the track, coupled to each other through the wheel/rail contact forces. Only the motion in the vertical plane is considered, assuming a total symmetry between left and right rails. This first step produces the time history of the forces exerted by the ballast on the foundation, which are then applied to a full 3-D FEM model of the soil, defined under the commercial software ABAQUS. The paper points out the contribution of the pitch motion of the bogies and carbodies which were neglected in previous publications, as well as the interest of the so-called coupled-lumped mass model (CLM to represent the influence of the foundation in the track model. The potentialities of the model are illustrated on the example of the Thalys high-speed train, riding at 300 km h−1 on the Belgian site of Mévergnies.

  12. Graph theory applied to noise and vibration control in statistical energy analysis models.

    Science.gov (United States)

    Guasch, Oriol; Cortés, Lluís

    2009-06-01

    A fundamental aspect of noise and vibration control in statistical energy analysis (SEA) models consists in first identifying and then reducing the energy flow paths between subsystems. In this work, it is proposed to make use of some results from graph theory to address both issues. On the one hand, linear and path algebras applied to adjacency matrices of SEA graphs are used to determine the existence of any order paths between subsystems, counting and labeling them, finding extremal paths, or determining the power flow contributions from groups of paths. On the other hand, a strategy is presented that makes use of graph cut algorithms to reduce the energy flow from a source subsystem to a receiver one, modifying as few internal and coupling loss factors as possible.

  13. Determination of Nonlinear Stiffness Coefficients for Finite Element Models with Application to the Random Vibration Problem

    Science.gov (United States)

    Muravyov, Alexander A.

    1999-01-01

    In this paper, a method for obtaining nonlinear stiffness coefficients in modal coordinates for geometrically nonlinear finite-element models is developed. The method requires application of a finite-element program with a geometrically non- linear static capability. The MSC/NASTRAN code is employed for this purpose. The equations of motion of a MDOF system are formulated in modal coordinates. A set of linear eigenvectors is used to approximate the solution of the nonlinear problem. The random vibration problem of the MDOF nonlinear system is then considered. The solutions obtained by application of two different versions of a stochastic linearization technique are compared with linear and exact (analytical) solutions in terms of root-mean-square (RMS) displacements and strains for a beam structure.

  14. Design model for bending vibrations of single-stage tunnel fan rotor

    Science.gov (United States)

    Krasyuk, AM; Kosykh, PV

    2018-03-01

    Using of one-mass model of tunnel fan rotor is justified for estimation calculation of the natural bending vibrations frequency during the design stage. It’s shown that the evaluative computation of the main axial tunnel fan at the early design stage yields the acceptable accuracy. It is shown that after completion of the design, the mass of the stepped-type shaft differs from the mass of the calculated uniform-diameter shaft no more than by 40%. Inclusion of this additional mass in the estimation calculation makes it possible to improve the calculation accuracy. The region of the dimensionless rotor design parameters at which the relative difference of frequency in the evaluative and verification calculations is not higher than 5 % is determined.

  15. Microencapsulation of a hydrophilic model molecule through vibration nozzle and emulsion phase inversion technologies.

    Science.gov (United States)

    Dorati, Rossella; Genta, Ida; Modena, Tiziana; Conti, Bice

    2013-01-01

    The goal of the present work was to evaluate and discuss vibration nozzle microencapsulation (VNM) technology combined to lyophilization, for the microencapsulation of a hydrophilic model molecule into a hydrophilic polymer. Fluorescein-loaded alginate microparticles prepared by VNM and emulsion phase inversion microencapsulation (EPIM) were lyophilized. Morphology, particle size distribution, lyophilized microspheres stability upon rehydration, drug loading and in vitro release were evaluated. Well-formed microspheres were obtained by the VNM technique, with higher yields of production (93.3-100%) and smaller particle size (d50138.10-158.00) than the EPIM microspheres. Rehydration upon lyophilization occurred in 30 min maintaining microsphere physical integrity. Fluorescein release was always faster from the microspheres obtained by VNM (364 h) than from those obtained by EPIM (504 h). The results suggest that VNM is a simple, easy to be scaled-up process suitable for the microencapsulation hydrophilic drugs.

  16. Mathematical modeling and calculation of forced resonant vibrations of composite electromechanical system

    OpenAIRE

    Ластівка, Іван Олексійович

    2014-01-01

    Resonant vibrations of composite electromechanical symmetric three-element system “metal plate - piezoceramic cylindrical panels” are considered. Forced vibrations are made under the influence of external alternating electric field, supplied to the electrodes of piezoceramic segments of cylindrical panels, previously polarized in the tangential direction.Based on the improved theory, such as the S.P. Timoshenko’s, the system of differential equations of forced vibrations of the system, taking...

  17. Fermi resonance effects on the vibration modes of hydrogen-passivated boron in silicon

    International Nuclear Information System (INIS)

    Watkins, G.D.; Fowler, W.B.; Deleo, G.G.; Stavola, M.; Kozuch, D.M.; Pearton, S.J.; Lopata, J.

    1990-01-01

    10 B - 11 B isotope shifts have been reported recently for the vibrational frequencies of hydrogen (H) and its isotope deuterium (D) in the H-B complex in silicon. The D- 10 B-D 11 B shift was found to be anomalously large. The authors show that this effect finds a natural explanation in a phenomenon called Fermi resonance, arising from a weak anharmonic coupling between the second harmonic of the transverse B vibration and the longitudinal D vibration. The authors present a simple classical explanation of the effect in terms of a parametric oscillator, or a child pumping a swing. They outline a simple quantum mechanical treatment that provides a satisfactory quantitative explanation of the results. The author's calculations also predict infrared absorption at the boron second harmonic frequencies. These are observed for both 10 B and 11 B with intensities and polarization as predicted, providing direct confirmation of the interpretation. The Pankove Si-H-B model, therefore, remains intact

  18. Dynamic Modeling and Vibration Analysis for the Vehicles with Rigid Wheels Based on Wheel-Terrain Interaction Mechanics

    Directory of Open Access Journals (Sweden)

    Jianfeng Wang

    2015-01-01

    Full Text Available The contact mechanics for a rigid wheel and deformable terrain are complicated owing to the rigid flexible coupling characteristics. Bekker’s equations are used as the basis to establish the equations of the sinking rolling wheel, to vertical load pressure relationship. Since vehicle movement on the Moon is a complex and on-going problem, the researcher is poised to simplify this problem of vertical loading of the wheel. In this paper, the quarter kinetic models of a manned lunar rover, which are both based on the rigid road and deformable lunar terrain, are used as the simulation models. With these kinetic models, the vibration simulations were conducted. The simulation results indicate that the quarter kinetic model based on the deformable lunar terrain accurately reflects the deformable terrain’s influence on the vibration characteristics of a manned lunar rover. Additionally, with the quarter kinetic model of the deformable terrain, the vibration simulations of a manned lunar rover were conducted, which include a parametric analysis of the wheel parameters, vehicle speed, and suspension parameters. The results show that a manned lunar rover requires a lower damping value and stiffness to achieve better vibration performance.

  19. Three-dimensional analytic probabilities of coupled vibrational-rotational-translational energy transfer for DSMC modeling of nonequilibrium flows

    International Nuclear Information System (INIS)

    Adamovich, Igor V.

    2014-01-01

    A three-dimensional, nonperturbative, semiclassical analytic model of vibrational energy transfer in collisions between a rotating diatomic molecule and an atom, and between two rotating diatomic molecules (Forced Harmonic Oscillator–Free Rotation model) has been extended to incorporate rotational relaxation and coupling between vibrational, translational, and rotational energy transfer. The model is based on analysis of semiclassical trajectories of rotating molecules interacting by a repulsive exponential atom-to-atom potential. The model predictions are compared with the results of three-dimensional close-coupled semiclassical trajectory calculations using the same potential energy surface. The comparison demonstrates good agreement between analytic and numerical probabilities of rotational and vibrational energy transfer processes, over a wide range of total collision energies, rotational energies, and impact parameter. The model predicts probabilities of single-quantum and multi-quantum vibrational-rotational transitions and is applicable up to very high collision energies and quantum numbers. Closed-form analytic expressions for these transition probabilities lend themselves to straightforward incorporation into DSMC nonequilibrium flow codes

  20. A direct pedestrian-structure interaction model to characterize the human induced vibrations on slender footbridges

    Directory of Open Access Journals (Sweden)

    Jiménez-Alonso, J. F.

    2014-12-01

    Full Text Available Although the scientific community had knowledge of the human induced vibration problems in structures since the end of the 19th century, it was not until the occurrence of the vibration phenomenon happened in the Millennium Bridge (London, 2000 that the importance of the problem revealed and a higher level of attention devoted. Despite the large advances achieved in the determination of the human-structure interaction force, one of the main deficiencies of the existing models is the exclusion of the effect of changes in the footbridge dynamic properties due to the presence of pedestrians. In this paper, the formulation of a human-structure interaction model, addresses these limitations, is carried out and its reliability is verified from previously published experimental results.Aunque la comunidad científica tenía conocimiento de los problemas vibratorios inducidos por peatones en estructuras desde finales del siglo xix, no fue hasta la ocurrencia de los eventos vibratorios acontecidos en la pasarela del Milenio (Londres, 2000, cuando la importancia del problema se puso de manifiesto y se le comenzó a dedicar un mayor nivel de atención. A pesar de los grandes avances alcanzados en la caracterización de la fuerza de interacción peatón-estructura una de las principales deficiencias de los modelos existentes es la exclusión del cambio en las propiedades dinámicas de la pasarela por la presencia de peatones. En este artículo, se presenta la formulación de un modelo de interacción peatón-estructura que intenta dar respuesta a dichas limitaciones, y su validación a partir de resultados experimentales previamente publicados por otros autores.

  1. Modeling and Analysis of a Combined Stress-Vibration Fiber Bragg Grating Sensor.

    Science.gov (United States)

    Yao, Kun; Lin, Qijing; Jiang, Zhuangde; Zhao, Na; Tian, Bian; Shi, Peng; Peng, Gang-Ding

    2018-03-01

    A combined stress-vibration sensor was developed to measure stress and vibration simultaneously based on fiber Bragg grating (FBG) technology. The sensor is composed of two FBGs and a stainless steel plate with a special design. The two FBGs sense vibration and stress and the sensor can realize temperature compensation by itself. The stainless steel plate can significantly increase sensitivity of vibration measurement. Theoretical analysis and Finite Element Method (FEM) were used to analyze the sensor's working mechanism. As demonstrated with analysis, the obtained sensor has working range of 0-6000 Hz for vibration sensing and 0-100 MPa for stress sensing, respectively. The corresponding sensitivity for vibration is 0.46 pm/g and the resulted stress sensitivity is 5.94 pm/MPa, while the nonlinearity error for vibration and stress measurement is 0.77% and 1.02%, respectively. Compared to general FBGs, the vibration sensitivity of this sensor is 26.2 times higher. Therefore, the developed sensor can be used to concurrently detect vibration and stress. As this sensor has height of 1 mm and weight of 1.15 g, it is beneficial for minimization and integration.

  2. Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb2ZnCl4

    International Nuclear Information System (INIS)

    Li, Liang; Wölfel, Alexander; Schönleber, Andreas; Mondal, Swastik; Schreurs, Antoine M. M.; Kroon-Batenburg, Loes M. J.; Smaalen, Sander van

    2011-01-01

    The superspace maximum entropy method (MEM) density in combination with structure refinements has been used to uncover the modulation in incommensurate Rb 2 ZnCl 4 close to the lock-in transition. Modulated atomic displacement parameters (ADPs) and modulated anharmonic ADPs are found to form an intrinsic part of the modulation. Refined values for the displacement modulation function depend on the presence or absence of modulated ADPs in the model. A combination of structure refinements, analysis of the superspace MEM density and interpretation of difference-Fourier maps has been used to characterize the incommensurate modulation of rubidium tetrachlorozincate, Rb 2 ZnCl 4 , at a temperature of T = 196 K, close to the lock-in transition at T lock-in = 192 K. The modulation is found to consist of a combination of displacement modulation functions, modulated atomic displacement parameters (ADPs) and modulated third-order anharmonic ADPs. Up to fifth-order Fourier coefficients could be refined against diffraction data containing up to fifth-order satellite reflections. The center-of-charge of the atomic basins of the MEM density and the displacive modulation functions of the structure model provide equivalent descriptions of the displacive modulation. Modulations of the ADPs and anharmonic ADPs are visible in the MEM density, but extracting quantitative information about these modulations appears to be difficult. In the structure refinements the modulation parameters of the ADPs form a dependent set, and ad hoc restrictions had to be introduced in the refinements. It is suggested that modulated harmonic ADPs and modulated third-order anharmonic ADPs form an intrinsic part, however small, of incommensurately modulated structures in general. Refinements of alternate models with and without parameters for modulated ADPs lead to significant differences between the parameters of the displacement modulation in these two types of models, thus showing the modulation of ADPs to

  3. Similarity-transformed equation-of-motion vibrational coupled-cluster theory

    Science.gov (United States)

    Faucheaux, Jacob A.; Nooijen, Marcel; Hirata, So

    2018-02-01

    A similarity-transformed equation-of-motion vibrational coupled-cluster (STEOM-XVCC) method is introduced as a one-mode theory with an effective vibrational Hamiltonian, which is similarity transformed twice so that its lower-order operators are dressed with higher-order anharmonic effects. The first transformation uses an exponential excitation operator, defining the equation-of-motion vibrational coupled-cluster (EOM-XVCC) method, and the second uses an exponential excitation-deexcitation operator. From diagonalization of this doubly similarity-transformed Hamiltonian in the small one-mode excitation space, the method simultaneously computes accurate anharmonic vibrational frequencies of all fundamentals, which have unique significance in vibrational analyses. We establish a diagrammatic method of deriving the working equations of STEOM-XVCC and prove their connectedness and thus size-consistency as well as the exact equality of its frequencies with the corresponding roots of EOM-XVCC. We furthermore elucidate the similarities and differences between electronic and vibrational STEOM methods and between STEOM-XVCC and vibrational many-body Green's function theory based on the Dyson equation, which is also an anharmonic one-mode theory. The latter comparison inspires three approximate STEOM-XVCC methods utilizing the common approximations made in the Dyson equation: the diagonal approximation, a perturbative expansion of the Dyson self-energy, and the frequency-independent approximation. The STEOM-XVCC method including up to the simultaneous four-mode excitation operator in a quartic force field and its three approximate variants are formulated and implemented in computer codes with the aid of computer algebra, and they are applied to small test cases with varied degrees of anharmonicity.

  4. Modeling of fuel bundle vibration and the associated fretting wear in a CANDU fuel channel

    International Nuclear Information System (INIS)

    Mohany, A.; Hassan, M.

    2011-01-01

    In this paper a numerical model is developed to predict the vibration response of a CANDU® fuel bundle and the associated fretting wear in the surrounding pressure tube. One excitation mechanism is considered in this model; turbulence-induced excitation caused by coolant flow inside the fuel channel. The numerical model can be easily adapted to include the effects of seismic events, fuel bundle impact during refuelling and start-up of the reactor, and the acoustic pressure pulsations caused by the primary heat transport (PHT) pumps. The simulation is performed for a typical CANDU fuel bundle with 37 fuel elements. The clearances between the buttons of the inner fuel elements, and between the bearing pads of the outer fuel elements and the pressure tube were measured from an actual fuel bundle. Some variability among the measured clearance values was observed. Therefore, probability density functions of the measured clearance values were established and the simulation was performed for the probabilistic distribution of the clearance values. The contact between the fuel bundle and the pressure tube is modeled using pseudo-force contact method. The proposed modelling technique can be used in future CANDU reactors to avoid fuel and pressure tube fretting damage due to the aforementioned excitation mechanisms. (author)

  5. Implementation of internal model based control and individual pitch control to reduce fatigue loads and tower vibrations in wind turbines

    Science.gov (United States)

    Mohammadi, Ebrahim; Fadaeinedjad, Roohollah; Moschopoulos, Gerry

    2018-05-01

    Vibration control and fatigue loads reduction are important issues in large-scale wind turbines. Identifying the vibration frequencies and tuning dampers and controllers at these frequencies are major concerns in many control methods. In this paper, an internal model control (IMC) method with an adaptive algorithm is implemented to first identify the vibration frequency of the wind turbine tower and then to cancel the vibration signal. Standard individual pitch control (IPC) is also implemented to compare the performance of the controllers in term of fatigue loads reduction. Finally, the performance of the system when both controllers are implemented together is evaluated. Simulation results demonstrate that using only IMC or IPC alone has advantages and can reduce fatigue loads on specific components. IMC can identify and suppress tower vibrations in both fore-aft and side-to-side directions, whereas, IPC can reduce fatigue loads on blades, shaft and yaw bearings. When both IMC and IPC are implemented together, the advantages of both controllers can be used. The aforementioned analysis and comparisons were not studied in literature and this study fills this gap. FAST, AreoDyn and Simulink are used to simulate the mechanical, aerodynamic and electrical aspects of wind turbine.

  6. Positron-attachment to small molecules: Vibrational enhancement of positron affinities with configuration interaction level of multi-component molecular orbital approach

    Energy Technology Data Exchange (ETDEWEB)

    Tachikawa, Masanori [Quantum Chemistry Division, Graduate School of NanoBioScience, Yokohama City University, 22-2 Seto, Kanazawa, Yokohama 236-0027 (Japan)

    2015-12-31

    To theoretically demonstrate the binding of a positron to small polarized molecules, we have calculated the vibrational averaged positron affinity (PA) values along the local vibrational contribution with the configuration interaction level of multi-component molecular orbital method. This method can take the electron-positron correlation contribution into account through single electronic - single positronic excitation configurations. The PA values are enhanced by including the local vibrational contribution from vertical PA values due to the anharmonicity of the potential.

  7. [The effect of betahistine on histological changes in rabbit brain in model of whole body wide-frequency vibration].

    Science.gov (United States)

    Shimkus, Iu Iu; Sapegin, I D

    2013-01-01

    In acute experiments in conscious rabbits was studied protective action of selective blocker of histamine H3-receptor betahistine (2mg/kg i/v) against histological changes in precentral and postcentral gyrus, as well as in temporal lobe of cerebral cortex, thalamus, hypothalamus, and cerebellum, arising in case of modeling of whole body wide-frequency vibration. Betahistine attenuates edematous and degenerative changes in neurons and reciprocal glial reaction, caused by vibration, but does not eliminate edema in perivascular spaces. This effect may be related to the improvement of blood supply as a result of of vasodilatory action and decrease of oxygen consumption via vestibuloprotective effect.

  8. Anharmonic, dimensionality and size effects in phonon transport

    Science.gov (United States)

    Thomas, Iorwerth O.; Srivastava, G. P.

    2017-12-01

    We have developed and employed a numerically efficient semi- ab initio theory, based on density-functional and relaxation-time schemes, to examine anharmonic, dimensionality and size effects in phonon transport in three- and two-dimensional solids of different crystal symmetries. Our method uses third- and fourth-order terms in crystal Hamiltonian expressed in terms of a temperature-dependent Grüneisen’s constant. All input to numerical calculations are generated from phonon calculations based on the density-functional perturbation theory. It is found that four-phonon processes make important and measurable contribution to lattice thermal resistivity above the Debye temperature. From our numerical results for bulk Si, bulk Ge, bulk MoS2 and monolayer MoS2 we find that the sample length dependence of phonon conductivity is significantly stronger in low-dimensional solids.

  9. Terahertz generation via laser coupling to anharmonic carbon nanotube array

    Science.gov (United States)

    Sharma, Soni; Vijay, A.

    2018-02-01

    A scheme of terahertz radiation generation employing a matrix of anharmonic carbon nanotubes (CNTs) embedded in silica is proposed. The matrix is irradiated by two collinear laser beams that induce large excursions on CNT electrons and exert a nonlinear force at the beat frequency ω = ω1-ω2. The force derives a nonlinear current producing THz radiation. The THz field is resonantly enhanced at the plasmon resource, ω = ω p ( 1 + β ) / √{ 2 } , where ωp is the plasma frequency and β is a characteristic parameter. Collisions are a limiting factor, suppressing the plasmon resonance. For typical values of plasma parameters, we obtain power conversion efficiency of the order of 10-6.

  10. Anharmonic effective pair potentials of gold under high pressure and high temperature

    CERN Document Server

    Okube, M; Ohtaka, O; Fukui, H; Katayama, Y; Utsumi, W

    2002-01-01

    In order to examine the effect of pressure on the anharmonicity of Au, extended x-ray absorption fine-structure spectra near the Au L sub 3 edge were measured in the temperature range from 300 to 1100 K under pressures up to 14 GPa using large-volume high-pressure devices and synchrotron radiation. The anharmonic effective pair potentials of Au, V (u) = au sup 2 + bu sup 3 , at 0.1 MPa, 6 and 14 GPa have been calculated. The pressure dependence of the thermal expansion coefficients has also been evaluated. The reliability of the anharmonic correction proposed on the basis of the Anderson scale has been discussed.

  11. An approach for modeling the influence of wheel tractor loads and vibration frequencies on soil compaction

    Science.gov (United States)

    Verotti, M.; Servadio, P.; Belfiore, N. P.; Bergonzoli, S.

    2012-04-01

    Both soil compaction and ground vibration are forms of environmental degradation that may be understood in the context of the vehicle-soil interaction process considered (Hildebrand et al., 2008). The transit of tractors on agricultural soil is often the main cause of soil compaction increasing. As known, this can be a serious problems for tillage and sowing and therefore the influence of all the affecting factors have been extensively studied in the last decades in order to understand their impact on the biosystem. There are factors related to the climate, namely to the rainfalls and temperature, and many others. Hence, it is not simple to figure out a complete model for predicting an index of compaction, for a given situation. Soil compaction models are important tools for controlling soil compaction due to agricultural field traffic and they are potentially useful technique to provide information concerning correct soil management. By means of such models, strategies and recommendations for prevention of soil compaction may be developed and specific advice may be given to farmers and advisers. In order to predict field wheeled and tracked vehicle performance, some empirical methods, used for off-road vehicle, were applied by Servadio (2010) on agricultural soil. The empirical indexes included, besides the soil strength, the load carried by the tire or track, some technical characteristics of the tire or track of the vehicle (tire or track width, tire or track wheel diameter, unloaded tire section height, number of wheel station in one track, tire deflection, total length of the belt track, the track pitch) as well as the vehicle passes. They have been validated with the tests results of agricultural vehicles over a range of soil in central Italy. Among the parameters which affect soil compaction, the water content of the soil, the axle load and number of vehicle passes proved to be the most important ones. The present paper concerns mainly vehicle

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

    Directory of Open Access Journals (Sweden)

    Lianchao Sheng

    2017-01-01

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

  13. PSpice Modeling of a Sandwich Piezoelectric Ceramic Ultrasonic Transducer in Longitudinal Vibration

    Directory of Open Access Journals (Sweden)

    Xiaoyuan Wei

    2017-09-01

    Full Text Available Sandwiched piezoelectric transducers are widely used, especially in high power applications. For more convenient analysis and design, a PSpice lossy model of sandwiched piezoelectric ultrasonic transducers in longitudinal vibration is proposed by means of the one-dimensional wave and transmission line theories. With the proposed model, the resonance and antiresonance frequencies are obtained, and it is shown that the simulations and measurements have good consistency. For the purpose of further verification the accuracy and application of the PSpice model, a pitch-catch setup and an experimental platform are built. They include two sandwiched piezoelectric ultrasonic transducers and two aluminum cylinders whose lengths are 20 mm and 100 mm respectively. Based on this pitch-catch setup, the impedance and transient analysis are performed. Compared with the measured results, it is shown that the simulated results have good consistency. In addition, the conclusion can be drawn that the optimal excitation frequency for the pitch-catch setup is not necessarily the resonance frequency of ultrasonic transducers, because the resonance frequency is obtained under no load. The proposed PSpice model of the sandwiched piezoelectric transducer is more conveniently applied to combine with other circuits such as driving circuits, filters, amplifiers, and so on.

  14. CFD Simulation of Vortex Induced Vibration for FRP Composite Riser with Different Modeling Methods

    Directory of Open Access Journals (Sweden)

    Chunguang Wang

    2018-04-01

    Full Text Available Steel risers are widely used in offshore oil and gas industry. However, the production capacity and depths are limited due to their extreme weight and poor fatigue and corrosion resistance. Nowadays, it is confirmed that fiber reinforced polymer (FRP composite risers have apparent advantages over steel risers. However, the study of vortex induced vibration (VIV for composite risers is rarely involved. Three different risers (one steel riser and two composite risers were compared for their VIV characteristics. The effects of 2D and 3D models and fluid–structure interaction (FSI were considered. The models of composite risers are established by effective modulus method (EMM and layered-structure method (LSM. It is found that 2D model are only suitable for ideal condition, while, for real situation, 3D model with FSI has to be considered. The results show that the displacements of the FRP composite risers are significantly larger than those of the steel riser, while the stresses are reversed. In addition, the distributions of the displacements and stresses depend on the geometries, material properties, top-tension force, constraints, etc. In addition, it is obvious that EMM are suitable to study the global working condition while LSM can be utilized to obtain the results in every single composite layer.

  15. PSpice Modeling of a Sandwich Piezoelectric Ceramic Ultrasonic Transducer in Longitudinal Vibration.

    Science.gov (United States)

    Wei, Xiaoyuan; Yang, Yuan; Yao, Wenqing; Zhang, Lei

    2017-09-30

    Sandwiched piezoelectric transducers are widely used, especially in high power applications. For more convenient analysis and design, a PSpice lossy model of sandwiched piezoelectric ultrasonic transducers in longitudinal vibration is proposed by means of the one-dimensional wave and transmission line theories. With the proposed model, the resonance and antiresonance frequencies are obtained, and it is shown that the simulations and measurements have good consistency. For the purpose of further verification the accuracy and application of the PSpice model, a pitch-catch setup and an experimental platform are built. They include two sandwiched piezoelectric ultrasonic transducers and two aluminum cylinders whose lengths are 20 mm and 100 mm respectively. Based on this pitch-catch setup, the impedance and transient analysis are performed. Compared with the measured results, it is shown that the simulated results have good consistency. In addition, the conclusion can be drawn that the optimal excitation frequency for the pitch-catch setup is not necessarily the resonance frequency of ultrasonic transducers, because the resonance frequency is obtained under no load. The proposed PSpice model of the sandwiched piezoelectric transducer is more conveniently applied to combine with other circuits such as driving circuits, filters, amplifiers, and so on.

  16. Strong anharmonicity in the phonon spectra of PbTe and SnTe from first principles

    Science.gov (United States)

    Ribeiro, Guilherme A. S.; Paulatto, Lorenzo; Bianco, Raffaello; Errea, Ion; Mauri, Francesco; Calandra, Matteo

    2018-01-01

    At room temperature, PbTe and SnTe are efficient thermoelectrics with a cubic structure. At low temperature, SnTe undergoes a ferroelectric transition with a critical temperature strongly dependent on the hole concentration, while PbTe is an incipient ferroelectric. By using the stochastic self-consistent harmonic approximation, we investigate the anharmonic phonon spectra and the occurrence of a ferroelectric transition in both systems. We find that vibrational spectra strongly depend on the approximation used for the exchange-correlation kernel in density-functional theory. If gradient corrections and the theoretical volume are employed, then the calculation of the phonon frequencies as obtained from the diagonalization of the free-energy Hessian leads to phonon spectra in good agreement with experimental data for both systems. In PbTe we evaluate the linear thermal expansion coefficient γ =2.3 ×10-5K-1 , finding it to be in good agreement with experimental value of γ =2.04 ×10-5K-1 . Furthermore, we study the phonon spectrum and we do reproduce the transverse optical mode phonon satellite detected in inelastic neutron scattering and the crossing between the transverse optical and the longitudinal acoustic modes along the Γ X direction. The phonon satellite becomes broader at high temperatures but its energy is essentially temperature independent, in agreement with experiments. We decompose the self-consistent harmonic free energy in second-, third-, and fourth-order anharmonic terms. We find that the third- and fourth-order terms are small. However, treating the third-order term perturbatively on top of the second-order self-consistent harmonic free energy overestimates the energy of the satellite associated with the transverse optical mode. On the contrary, a perturbative treatment on top of the harmonic Hamiltonian breaks down and leads to imaginary phonon frequencies already at 300 K. In the case of SnTe, we describe the occurrence of a ferroelectric

  17. Evaluation of Massey Ferguson Model 165 Tractor Drivers exposed to whole-body vibration

    Directory of Open Access Journals (Sweden)

    P. Nassiri

    2013-12-01

    Conclusion: This study shows that the need to provide intervention , controlling and managing measures to eliminate or reduce exposure to whole body vibration among tractor drivers its necessary. And, preventing main disorder Including musculoskeletal disorders, discomfort and early fatigue is of circular importance. More studies are also necessary to identify the sources of vibration among various of tractors.

  18. The Modeling and Analysis for the Self-Excited Vibration of the Maglev Vehicle-Bridge Interaction System

    Directory of Open Access Journals (Sweden)

    Jinhui Li

    2015-01-01

    Full Text Available This paper addresses the self-excited vibration problems of maglev vehicle-bridge interaction system which greatly degrades the stability of the levitation control, decreases the ride comfort, and restricts the cost of the whole system. Firstly, two levitation models with different complexity are developed, and the comparison of the energy curves associated with the two models is carried out. We conclude that the interaction model with a single levitation control unit is sufficient for the study of the self-excited vibration. Then, the principle underlying the self-excited vibration is explored from the standpoint of work acting on the bridge done by the levitation system. Furthermore, the influences of the parameters, including the modal frequency and modal damping of bridge, the gain of the controller, the sprung mass, and the unsprung mass, on the stability of the interaction system are carried out. The study provides a theoretical guidance for solving the self-excited vibration problems of the vehicle-bridge interaction systems.

  19. Railway bogie vibration analysis by mathematical simulation model and a scaled four-wheel railway bogie set

    Science.gov (United States)

    Visayataksin, Noppharat; Sooklamai, Manon

    2018-01-01

    The bogie is the part that connects and transfers all the load from the vehicle body onto the railway track; interestingly the interaction between wheels and rails is the critical point for derailment of the rail vehicles. However, observing or experimenting with real bogies on rail vehicles is impossible due to the operational rules and safety concerns. Therefore, this research aimed to develop a vibration analysis set for a four-wheel railway bogie by constructing a four-wheel bogie with scale of 1:4.5. The bogie structures, including wheels and axles, were made from an aluminium alloy, equipped with springs and dampers. The bogie was driven by an electric motor using 4 round wheels instead of 2 straight rails, with linear velocity between 0 to 11.22 m/s. The data collected from the vibration analysis set was compared to the mathematical simulation model to investigate the vibration behavior of the bogie, especially the hunting motion. The results showed that vibration behavior from a scaled four-wheel railway bogie set significantly agreed with the mathematical simulation model in terms of displacement and hunting frequency. The critical speed of the wheelset was found by executing the mathematical simulation model at 13 m/s.

  20. AB-INITIO CALCULATIONS OF ANHARMONIC VIBRATIONAL TRANSITION INTENSITIES OF TRANS-2,3-DIDEUTERIOOXIRANE

    DEFF Research Database (Denmark)

    Bludsky, O.; Bak, Keld L.; JORGENSEN, P

    1995-01-01

    The quartic force field and the cubic dipole moment surface are calculated for trans-2,3-dideuteriooxirane at the self-consistent field and the second order Moller-Plesset levels of theory using a triple zeta plus two polarization functions basis set. Contact transformation theory is used to dete...

  1. Research on the equivalent circuit model of a circular flexural-vibration-research on the equivalent circuit model of a circular flexural-vibration-mode piezoelectric transformer with moderate thickness.

    Science.gov (United States)

    Huang, Yihua; Huang, Wenjin; Wang, Qinglei; Su, Xujian

    2013-07-01

    The equivalent circuit model of a piezoelectric transformer is useful in designing and optimizing the related driving circuits. Based on previous work, an equivalent circuit model for a circular flexural-vibration-mode piezoelectric transformer with moderate thickness is proposed and validated by finite element analysis. The input impedance, voltage gain, and efficiency of the transformer are determined through computation. The basic behaviors of the transformer are shown by numerical results.

  2. Vibrational dynamics of adsorbed molecules under conditions of photodesorption: Pump-probe SFG spectra of CO/Pt(111)

    Science.gov (United States)

    Fournier, Frédéric; Zheng, Wanquan; Carrez, Serge; Dubost, Henri; Bourguignon, Bernard

    2004-09-01

    Interaction of CO adsorbed on Pt(111) with electrons and phonons is studied experimentally by means of a pump-probe experiment where CO is probed by IR+visible sum frequency generation under a pump laser intensity that allows photodesorption. Vibrational spectra of CO internal stretch are obtained as a function of pump-probe delay. A two-temperature and anharmonic coupling model is used to extract from the spectra the real time variations of CO peak frequency and dephasing time. The main conclusions are the following: (i) The CO stretch is perturbed by two low-frequency modes, assigned to frustrated rotation and frustrated translation. (ii) The frustrated rotation is directly coupled to electrons photoexcited in Pt(111) by the pump laser. (iii) There is no evidence of Pt-CO stretch excitation in the spectra. The implications for the photodesorption dynamics are discussed.

  3. Vibration analysis diagnostics by continuous-time models: A case study

    International Nuclear Information System (INIS)

    Pedregal, Diego J.; Carmen Carnero, Ma.

    2009-01-01

    In this paper a forecasting system in condition monitoring is developed based on vibration signals in order to improve the diagnosis of a certain critical equipment at an industrial plant. The system is based on statistical models capable of forecasting the state of the equipment combined with a cost model consisting of defining the time of preventive replacement when the minimum of the expected cost per unit of time is reached in the future. The most relevant features of the system are that (i) it is developed for bivariate signals; (ii) the statistical models are set up in a continuous-time framework, due to the specific nature of the data; and (iii) it has been developed from scratch for a real case study and may be generalised to other pieces of equipment. The system is thoroughly tested on the equipment available, showing its correctness with the data in a statistical sense and its capability of producing sensible results for the condition monitoring programme

  4. Vibration analysis diagnostics by continuous-time models: A case study

    Energy Technology Data Exchange (ETDEWEB)

    Pedregal, Diego J. [Escuela Tecnica Superior de Ingenieros Industriales, Universidad de Castilla-La Mancha, 13071 Ciudad Real (Spain)], E-mail: Diego.Pedregal@uclm.es; Carmen Carnero, Ma. [Escuela Tecnica Superior de Ingenieros Industriales, Universidad de Castilla-La Mancha, 13071 Ciudad Real (Spain)], E-mail: Carmen.Carnero@uclm.es

    2009-02-15

    In this paper a forecasting system in condition monitoring is developed based on vibration signals in order to improve the diagnosis of a certain critical equipment at an industrial plant. The system is based on statistical models capable of forecasting the state of the equipment combined with a cost model consisting of defining the time of preventive replacement when the minimum of the expected cost per unit of time is reached in the future. The most relevant features of the system are that (i) it is developed for bivariate signals; (ii) the statistical models are set up in a continuous-time framework, due to the specific nature of the data; and (iii) it has been developed from scratch for a real case study and may be generalised to other pieces of equipment. The system is thoroughly tested on the equipment available, showing its correctness with the data in a statistical sense and its capability of producing sensible results for the condition monitoring programme.

  5. Finite Element Modelling for Static and Free Vibration Response of Functionally Graded Beam

    Directory of Open Access Journals (Sweden)

    Ateeb Ahmad Khan

    Full Text Available Abstract A 1D Finite Element model for static response and free vibration analysis of functionally graded material (FGM beam is presented in this work. The FE model is based on efficient zig-zag theory (ZIGT with two noded beam element having four degrees of freedom at each node. Linear interpolation is used for the axial displacement and cubic hermite interpolation is used for the deflection. Out of a large variety of FGM systems available, Al/SiC and Ni/Al2O3 metal/ceramic FGM system has been chosen. Modified rule of mixture (MROM is used to calculate the young's modulus and rule of mixture (ROM is used to calculate density and poisson's ratio of FGM beam at any point. The MATLAB code based on 1D FE zigzag theory for FGM elastic beams is developed. A 2D FE model for the same elastic FGM beam has been developed using ABAQUS software. An 8-node biquadratic plane stress quadrilateral type element is used for modeling in ABAQUS. Three different end conditions namely simply-supported, cantilever and clamped- clamped are considered. The deflection, normal stress and shear stress has been reported for various models used. Eigen Value problem using subspace iteration method is solved to obtain un-damped natural frequencies and the corresponding mode shapes. The results predicted by the 1D FE model have been compared with the 2D FE results and the results present in open literature. This proves the correctness of the model. Finally, mode shapes have also been plotted for various FGM systems.

  6. Modeling and experimental verification of proof mass effects on vibration energy harvester performance

    International Nuclear Information System (INIS)

    Kim, Miso; Hoegen, Mathias; Dugundji, John; Wardle, Brian L

    2010-01-01

    An electromechanically coupled model for a cantilevered piezoelectric energy harvester with a proof mass is presented. Proof masses are essential in microscale devices to move device resonances towards optimal frequency points for harvesting. Such devices with proof masses have not been rigorously modeled previously; instead, lumped mass or concentrated point masses at arbitrary points on the beam have been used. Thus, this work focuses on the exact vibration analysis of cantilevered energy harvester devices including a tip proof mass. The model is based not only on a detailed modal analysis, but also on a thorough investigation of damping ratios that can significantly affect device performance. A model with multiple degrees of freedom is developed and then reduced to a single-mode model, yielding convenient closed-form normalized predictions of device performance. In order to verify the analytical model, experimental tests are undertaken on a macroscale, symmetric, bimorph, piezoelectric energy harvester with proof masses of different geometries. The model accurately captures all aspects of the measured response, including the location of peak-power operating points at resonance and anti-resonance, and trends such as the dependence of the maximal power harvested on the frequency. It is observed that even a small change in proof mass geometry results in a substantial change of device performance due not only to the frequency shift, but also to the effect on the strain distribution along the device length. Future work will include the optimal design of devices for various applications, and quantification of the importance of nonlinearities (structural and piezoelectric coupling) for device performance

  7. Influence of anharmonic effects on the structural-mechanical and thermophysical properties of filled polymer systems

    International Nuclear Information System (INIS)

    Bordyuk, N.A.; Nikitchuk, V.I.; Voloshin, O.M.

    1995-01-01

    The force constants of anharmonicity, the total energy, and the force of interaction between structural elements of PVC systems are determined from the values of the quasielastic constants of filled polymer systems

  8. First-principles study of anharmonic phonon effects in tetrahedral semiconductors via an external electric field

    Energy Technology Data Exchange (ETDEWEB)

    Dabiri, Zohreh, E-mail: z.dabiri@stu.yazd.ac.ir [Physics Department, Yazd University, P.O. Box 89195-741, Yazd (Iran, Islamic Republic of); Kazempour, Ali [Department of Physics, Payame Noor University, P.O. BOX 119395-3697, Tehran (Iran, Islamic Republic of); Nano Structured Coatings Institute of Yazd Payame Noor University, P.O. Code 89431-74559, Yazd (Iran, Islamic Republic of); Sadeghzadeh, Mohammad Ali [Physics Department, Yazd University, P.O. Box 89195-741, Yazd (Iran, Islamic Republic of)

    2016-11-15

    The strength of phonon anharmonicity is investigated in the framework of the Density Functional Perturbation Theory via an applied constant electric field. In contrast to routine approaches, we have employed the electric field as an effective probe to quest after the quasi-harmonic and anharmonic effects. Two typical tetrahedral semiconductors (diamond and silicon) have been selected to test the efficiency of this approach. In this scheme the applied field is responsible for establishing the perturbation and also inducing the anharmonicity in systems. The induced polarization is a result of changing the electronic density while ions are located at their ground state coordinates or at a specified strain. Employing this method, physical quantities of the semiconductors are calculated in presence of the electron–phonon interaction directly and, phonon–phonon interaction, indirectly. The present approach, which is in good agreement with previous theoretical and experimental studies, can be introduced as a benchmark to simply investigate the anharmonicity and pertinent consequences in materials.

  9. Fluctuations and Anharmonicity in Lead Iodide Perovskites from Molecular Dynamics Supercell Simulationss

    KAUST Repository

    Carignano, Marcelo André s; Aravindh, S. Assa; Roqan, Iman S.; Even, Jacky; Katan, Claudine

    2017-01-01

    cations as the temperature is decreased from 450 K. The reverse transformation from tetragonal to cubic is also monitored through the large distribution of the octahedral tilting angles accompanied by an increase in the anharmonicity of the iodine atoms

  10. Equivalence of classical spins and Hartree-Fock-Bogoliubov approximation of the Fermionic Anharmonic Oscillator

    International Nuclear Information System (INIS)

    Thomaz, M.T.; Toledo Piza, A.F.R. de

    1994-01-01

    We show that the Hartree-Fock-Bogoliubov (alias Gaussian) approximation of the initial condition problem of the Fermionic Anharmonic Oscillator i equivalent to a bosonic Hamiltonian system of two classical spin. (author)

  11. Finite element modelling to assess the effect of surface mounted piezoelectric patch size on vibration response of a hybrid beam

    Science.gov (United States)

    Rahman, N.; Alam, M. N.

    2018-02-01

    Vibration response analysis of a hybrid beam with surface mounted patch piezoelectric layer is presented in this work. A one dimensional finite element (1D-FE) model based on efficient layerwise (zigzag) theory is used for the analysis. The beam element has eight mechanical and a variable number of electrical degrees of freedom. The beams are also modelled in 2D-FE (ABAQUS) using a plane stress piezoelectric quadrilateral element for piezo layers and a plane stress quadrilateral element for the elastic layers of hybrid beams. Results are presented to assess the effect of size of piezoelectric patch layer on the free and forced vibration responses of thin and moderately thick beams under clamped-free and clamped-clamped configurations. The beams are subjected to unit step loading and harmonic loading to obtain the forced vibration responses. The vibration control using in phase actuation potential on piezoelectric patches is also studied. The 1D-FE results are compared with the 2D-FE results.

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

    Science.gov (United States)

    Góbi, Sándor; Magyarfalvi, Gábor; Tarczay, György

    2015-09-01

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

  13. Free vibration of a single-walled carbon nanotube containing a fluid flow using the Timoshenko beam model

    International Nuclear Information System (INIS)

    Chang, W.-J.; Lee, H.-L.

    2009-01-01

    The flexural vibration of the fluid-conveying single-walled carbon nanotube (SWCNT) is derived by the Timoshenko beam model, including rotary inertia and transverse shear deformation. The effects of the flow velocity and the aspect ratio of length to diameter on the vibration frequency and mode shape of the SWCNT are analyzed. Results show that the effects of rotary inertia and transverse shear deformation result in a reduction of the vibration frequencies, especially for higher modes of vibration and short nanotubes. The frequency is also compared with the previous study based on Euler beam model. In addition, if the ratio of length to diameter increased to 60, the influence of the shear deformation and rotary inertia on the mode shape and the resonant frequencies can be neglected. However, the influence is very obvious when the ratio decreased to 20. As the flow velocity of the fluid increases in the vicinity of 2π, the SWCNT reveals the divergence instability. It regains stability when the flow velocity reaches about 9. As the velocity increases further, the SWCNT undergoes a coupled-mode flutter and results in a larger amplitude

  14. Mechanical behaviour of a fuel cell stack under vibrating conditions linked to aircraft applications part II: Three-dimensional modelling

    Energy Technology Data Exchange (ETDEWEB)

    Rouss, Vicky; Charon, Willy [M3M, University of Technology Belfort - Montbeliard (France); FCLAB, Rue Thierry Mieg, F 90010 Belfort, Cedex (France); Candusso, Denis [INRETS, The French National Institute for Transport and Safety Research (France); FCLAB, Rue Thierry Mieg, F 90010 Belfort, Cedex (France)

    2008-11-15

    The implementation of fuel cells (FC) in transportation systems such as airplanes requires better understanding of their mechanical behaviour in vibrating environment. To this end, a FC stack was tested on a vibrating platform for all three orthogonal axes. The experimental procedure is described in the first part of the paper. This second part of the paper demonstrates how the experimental data collected can be used to create a three-dimensional, multi-input and multi-output model based on the Artificial Neural Network (ANN) approach. Indeed FCs are nonlinear mechanical systems, difficult to be physically modelled. The ANN methodology which depends strictly on raw data is a particularly interesting alternative solution to model FCs, for example, for monitoring purpose. The ANN model is described along with the training, pruning and validation stages. The results are exposed and commented. (author)

  15. Resummation of divergent perturbation series: Application to the vibrational states of H{sub 2}CO molecule

    Energy Technology Data Exchange (ETDEWEB)

    Duchko, A. N. [National Research Tomsk Polytechnic University, Tomsk (Russian Federation); V.E. Zuev Institute of Atmospheric Optics, Tomsk (Russian Federation); Bykov, A. D., E-mail: adbykov@rambler.ru [V.E. Zuev Institute of Atmospheric Optics, Tomsk (Russian Federation)

    2015-10-21

    Large-order Rayleigh–Schrödinger perturbation theory (RSPT) is applied to the calculation of anharmonic vibrational energy levels of H{sub 2}CO molecule. We use the model of harmonic oscillators perturbed by anharmonic terms of potential energy. Since the perturbation series typically diverge due to strong couplings, we apply the algebraic approximation technique because of its effectiveness shown earlier by Goodson and Sergeev [J. Chem. Phys. 110, 8205 (1999); ibid. 124, 094111 (2006)] and in our previous articles [A. D. Bykov et al. Opt. Spectrosc. 114, 396 (2013); ibid. 116, 598 (2014)]. To facilitate the resummation of terms contributing to perturbed states, when resonance mixing between states is especially strong and perturbation series diverge very quick, we used repartition of the Hamiltonian by shifting the normal mode frequencies. Energy levels obtained by algebraic approximants were compared with the results of variational calculation. It was found that for low energy states (up to ∼5000 cm{sup −1}), algebraic approximants gave accurate values of energy levels, which were in excellent agreement with the variational method. For highly excited states, strong and multiple resonances complicate series resummation, but a suitable change of normal mode frequencies allows one to reduce the resonance mixing and to get accurate energy levels. The theoretical background of the problem of RSPT series divergence is discussed along with its numerical analysis. For these purposes, the vibrational energy is considered as a function of a complex perturbation parameter. Layout and classification of its singularities allow us to model the asymptotic behavior of the perturbation series and prove the robustness of the algorithm.

  16. Modelling and numerical simulation of vortex induced vibrations of single cylinder or cylinder arrays

    International Nuclear Information System (INIS)

    Jus, Y.

    2011-01-01

    This research thesis fits into the frame of researches achieved in the nuclear field in order to optimize the predictive abilities of sizing models of nuclear plant components. It more precisely addresses the modelling of the action exerted by the flowing fluid and the induced feedback by the structure dynamics. The objective is herein to investigate the interaction between the turbulence at the wall vicinity and the effects of non-conservative and potentially destabilizing unsteady coupling. The peculiar case of a single cylinder in infinite environment, and submitted to a transverse flow, is studied statically and then dynamically. The influence of flow regimes on dynamic response is characterized, and the quantification of fluid-structure interaction energy is assessed. The author then addresses the case of an array of cylinders, and highlights the contribution of three-dimensional macro-simulations for the analysis of flow-induced structure vibrations in subcritical regime within a High Performance Calculation (HPC) framework, and the interest of a CFD/CSM (computational fluid dynamics/computational structure mechanics) coupling in the case of turbulent flows in an industrial environment

  17. Blasting Vibration Safety Criterion Analysis with Equivalent Elastic Boundary: Based on Accurate Loading Model

    Directory of Open Access Journals (Sweden)

    Qingwen Li

    2015-01-01

    Full Text Available In the tunnel and underground space engineering, the blasting wave will attenuate from shock wave to stress wave to elastic seismic wave in the host rock. Also, the host rock will form crushed zone, fractured zone, and elastic seismic zone under the blasting loading and waves. In this paper, an accurate mathematical dynamic loading model was built. And the crushed zone as well as fractured zone was considered as the blasting vibration source thus deducting the partial energy for cutting host rock. So this complicated dynamic problem of segmented differential blasting was regarded as an equivalent elastic boundary problem by taking advantage of Saint-Venant’s Theorem. At last, a 3D model in finite element software FLAC3D accepted the constitutive parameters, uniformly distributed mutative loading, and the cylindrical attenuation law to predict the velocity curves and effective tensile curves for calculating safety criterion formulas of surrounding rock and tunnel liner after verifying well with the in situ monitoring data.

  18. Non-material finite element modelling of large vibrations of axially moving strings and beams

    Science.gov (United States)

    Vetyukov, Yury

    2018-02-01

    We present a new mathematical model for the dynamics of a beam or a string, which moves in a given axial direction across a particular domain. Large in-plane vibrations are coupled with the gross axial motion, and a Lagrangian (material) form of the equations of structural mechanics becomes inefficient. The proposed mixed Eulerian-Lagrangian description features mechanical fields as functions of a spatial coordinate in the axial direction. The material travels across a finite element mesh, and the boundary conditions are applied in fixed nodes. Beginning with the variational equation of virtual work in its material form, we analytically derive the Lagrange's equations of motion of the second kind for the considered case of a discretized non-material control domain and for geometrically exact kinematics. The dynamic analysis is straightforward as soon as the strain and the kinetic energies of the control domain are available. In numerical simulations we demonstrate the rapid mesh convergence of the model, the effect of the bending stiffness and the dynamic instability when the axial velocity gets high. We also show correspondence to the results of fully Lagrangian benchmark solutions.

  19. Vibration model of rolling element bearings in a rotor-bearing system for fault diagnosis

    Science.gov (United States)

    Cong, Feiyun; Chen, Jin; Dong, Guangming; Pecht, Michael

    2013-04-01

    Rolling element bearing faults are among the main causes of breakdown in rotating machines. In this paper, a rolling bearing fault model is proposed based on the dynamic load analysis of a rotor-bearing system. The rotor impact factor is taken into consideration in the rolling bearing fault signal model. The defect load on the surface of the bearing is divided into two parts, the alternate load and the determinate load. The vibration response of the proposed fault signal model is investigated and the fault signal calculating equation is derived through dynamic and kinematic analysis. Outer race and inner race fault simulations are realized in the paper. The simulation process includes consideration of several parameters, such as the gravity of the rotor-bearing system, the imbalance of the rotor, and the location of the defect on the surface. The simulation results show that different amplitude contributions of the alternate load and determinate load will cause different envelope spectrum expressions. The rotating frequency sidebands will occur in the envelope spectrum in addition to the fault characteristic frequency. This appearance of sidebands will increase the difficulty of fault recognition in intelligent fault diagnosis. The experiments given in the paper have successfully verified the proposed signal model simulation results. The test rig design of the rotor bearing system simulated several operating conditions: (1) rotor bearing only; (2) rotor bearing with loader added; (3) rotor bearing with loader and rotor disk; and (4) bearing fault simulation without rotor influence. The results of the experiments have verified that the proposed rolling bearing signal model is important to the rolling bearing fault diagnosis of rotor-bearing systems.

  20. ADVANCES IN RENEWAL DECISION-MAKING UTILISING THE PROPORTIONAL HAZARDS MODEL WITH VIBRATION COVARIATES

    Directory of Open Access Journals (Sweden)

    Pieter-Jan Vlok

    2012-01-01

    Full Text Available

    ENGLISH ABSTRACT: Increased competitiveness in the production world necessitates improved maintenance strategies to increase availabilities and drive down cost . The maintenance engineer is thus faced with the need to make more intelligent pre ventive renewal decisions . Two of the main techniques to achieve this is through Condition Monitoring (such as vibrat ion monitoring and oil anal ysis and Statistical Failure Analysis (typically using probabilistic techniques . The present paper discusses these techniques, their uses and weaknesses and then presents th e Proportional Hazard Model as an solution to most of these weaknesses. It then goes on to compare the results of the different techniques in monetary terms, using a South African case study. This comparison shows clearly that the Proportional Hazards Model is sup erior to the present t echniques and should be the preferred model for many actual maintenance situations.

    AFRIKAANSE OPSOMMING: Verhoogde vlakke van mededinging in die produksie omgewing noodsaak verbeterde instandhouding strategies om beskikbaarheid van toerusting te verhoog en koste te minimeer. Instandhoudingsingenieurs moet gevolglik meer intellegente voorkomende hernuwings besluite neem. Twee prominente tegnieke om hierdie doelwit te bereik is Toestandsmonitering (soos vibrasie monitering of olie analise en Statistiese Falingsanalise (gewoonlik m.b.v. probabilistiese metodes. In hierdie artikel beskou ons beide hierdie tegnieke, hulle gebruike en tekortkominge en stel dan die Proporsionele Gevaarkoers Model voor as 'n oplossing vir meeste van die tekortkominge. Die artikel vergelyk ook die verskillende tegnieke in geldelike terme deur gebruik te maak van 'n Suid-Afrikaanse gevalle studie. Hierdie vergelyking wys duidelik-uit dat die Proporsionele Gevaarkoers Model groter beloft e inhou as die huidige tegni eke en dat dit die voorkeur oplossing behoort te wees in baie werklike instandhoudings situasies.

  1. Modelling and Vibration Control of Beams with Partially Debonded Active Constrained Layer Damping Patch

    Science.gov (United States)

    SUN, D.; TONG, L.

    2002-05-01

    A detailed model for the beams with partially debonded active constraining damping (ACLD) treatment is presented. In this model, the transverse displacement of the constraining layer is considered to be non-identical to that of the host structure. In the perfect bonding region, the viscoelastic core is modelled to carry both peel and shear stresses, while in the debonding area, it is assumed that no peel and shear stresses be transferred between the host beam and the constraining layer. The adhesive layer between the piezoelectric sensor and the host beam is also considered in this model. In active control, the positive position feedback control is employed to control the first mode of the beam. Based on this model, the incompatibility of the transverse displacements of the active constraining layer and the host beam is investigated. The passive and active damping behaviors of the ACLD patch with different thicknesses, locations and lengths are examined. Moreover, the effects of debonding of the damping layer on both passive and active control are examined via a simulation example. The results show that the incompatibility of the transverse displacements is remarkable in the regions near the ends of the ACLD patch especially for the high order vibration modes. It is found that a thinner damping layer may lead to larger shear strain and consequently results in a larger passive and active damping. In addition to the thickness of the damping layer, its length and location are also key factors to the hybrid control. The numerical results unveil that edge debonding can lead to a reduction of both passive and active damping, and the hybrid damping may be more sensitive to the debonding of the damping layer than the passive damping.

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

    Science.gov (United States)

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

    2017-10-01

    In a recent paper [U. Lorenz and P. Saalfrank, Chem. Phys. 482, 69 (2017)], we proposed a robust scheme to set up a system-bath model Hamiltonian, describing the coupling of adsorbate vibrations (system) to surface phonons (bath), from first principles. The method is based on an embedded cluster approach, using orthogonal coordinates for system and bath modes, and an anharmonic phononic expansion of the system-bath interaction up to second order. In this contribution, we use this model Hamiltonian to calculate vibrational relaxation rates of H-Si and D-Si bending modes, coupled to a fully H(D)-covered Si(100)-( 2 × 1 ) surface, at zero temperature. The D-Si bending mode has an anharmonic frequency lying inside the bath frequency spectrum, whereas the H-Si bending mode frequency is outside the bath Debye band. Therefore, in the present calculations, we only take into account one-phonon system-bath couplings for the D-Si system and both one- and two-phonon interaction terms in the case of H-Si. The computation of vibrational lifetimes is performed with two different approaches, namely, Fermi's golden rule, and a generalized Bixon-Jortner model built in a restricted vibrational space of the adsorbate-surface zeroth-order Hamiltonian. For D-Si, the Bixon-Jortner Hamiltonian can be solved by exact diagonalization, serving as a benchmark, whereas for H-Si, an iterative scheme based on the recursive residue generation method is applied, with excellent convergence properties. We found that the lifetimes obtained with perturbation theory, albeit having almost the same order of magnitude—a few hundred fs for D-Si and a couple of ps for H-Si—, are strongly dependent on the discretized numerical representation of the bath spectral density. On the other hand, the Bixon-Jortner model is free of such numerical deficiencies, therefore providing better estimates of vibrational relaxation rates, at a very low computational cost. The results obtained with this model clearly show

  3. Bizarre behavior of heat capacity in crystals due to interplay between two types of anharmonicities.

    Science.gov (United States)

    Yurchenko, Stanislav O; Komarov, Kirill A; Kryuchkov, Nikita P; Zaytsev, Kirill I; Brazhkin, Vadim V

    2018-04-07

    The heat capacity of classical crystals is determined by the Dulong-Petit value C V ≃ D (where D is the spatial dimension) for softly interacting particles and has the gas-like value C V ≃ D/2 in the hard-sphere limit, while deviations are governed by the effects of anharmonicity. Soft- and hard-sphere interactions, which are associated with the enthalpy and entropy of crystals, are specifically anharmonic owing to violation of a linear relation between particle displacements and corresponding restoring forces. Here, we show that the interplay between these two types of anharmonicities unexpectedly induces two possible types of heat capacity anomalies. We studied thermodynamics, pair correlations, and collective excitations in 2D and 3D crystals of particles with a limited range of soft repulsions to prove the effect of interplay between the enthalpy and entropy types of anharmonicities. The observed anomalies are triggered by the density of the crystal, changing the interaction regime in the zero-temperature limit, and can provide about 10% excess of the heat capacity above the Dulong-Petit value. Our results facilitate understanding effects of complex anharmonicity in molecular and complex crystals and demonstrate the possibility of new effects due to the interplay between different types of anharmonicities.

  4. High pressure behavior of complex phosphate K2Ce[PO4]2: Grüneisen parameter and anharmonicity properties

    Science.gov (United States)

    Mishra, Karuna Kara; Bevara, Samatha; Ravindran, T. R.; Patwe, S. J.; Gupta, Mayanak K.; Mittal, Ranjan; Krishnan, R. Venkata; Achary, S. N.; Tyagi, A. K.

    2018-02-01

    Herein we reported structural stability, vibrational and thermal properties of K2Ce[PO4]2, a relatively underexplored complex phosphate of tetravalent Ce4+ from in situ high-pressure Raman spectroscopic investigations up to 28 GPa using a diamond anvil cell. The studies identified the soft phonons that lead to a reversible phase transformation above 8 GPa, and a phase coexistence of ambient (PI) and high pressure (PII) phases in a wider pressure region 6-11 GPa. From a visual representation of the computed eigen vector displacements, the Ag soft mode at 82 cm-1 is assigned as a lattice mode of K+ cation. Pressure-induced positional disorder is apparent from the substantial broadening of internal modes and the disappearance of low frequency lattice and external modes in phase PII above 18 GPa. Isothermal mode Grüneisen parameters γi of the various phonon modes are calculated and compared for several modes. Using these values, thermal properties such as average Grüneisen parameter, and thermal expansion coefficient are estimated as 0.47, and 2.5 × 10-6 K-1, respectively. The specific heat value was estimated from all optical modes obtained from DFT calculations as 314 J-mol-1 K-1. Our earlier reported temperature dependence of phonon frequencies is used to decouple the "true anharmonic" (explicit contribution at constant volume) and "quasi harmonic" (implicit contribution brought out by volume change) contributions from the total anharmonicity. In addition to the 81 cm-1 Ag lattice mode, several other lattice and external modes of PO43- ions are found to be strongly anharmonic.

  5. Numerical modelling of ground vibration caused by elevated high-speed railway lines considering structure-soil-structure interaction

    DEFF Research Database (Denmark)

    Bucinskas, Paulius; Andersen, Lars Vabbersgaard; Persson, Kent

    2016-01-01

    Construction of high speed railway lines has been an increasing trend in recent years. Countries like Denmark and Sweden plan to expand and upgrade their railways to accommodate high-speed traffic. To benefit from the full potential of the reduced commuting times, these lines must pass through...... densely populated urban areas with the collateral effect of increased noise and vibrations levels. This paper aims to quantify the vibrations levels in the area surrounding an elevated railway line built as a multi-span bridge structure. The proposed model employs finite-element analysis to model......-space. The paper analyses the effects of structure-soil-structure interaction on the dynamic behaviour of the surrounding soil surface. The effects of different soil stratification and material properties as well as different train speeds are assessed. Finally, the drawbacks of simplifying the numerical model...

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

    Science.gov (United States)

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

    2017-11-01

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

  7. Analytical calculation of the vibrator-rotor transition in the sdg interacting boson model

    International Nuclear Information System (INIS)

    Wang Baolin

    1992-01-01

    Analytical calculation of the vibrator-rotor transition is given by utilizing the 1/N expansion technique in the sdg IBM. The phase transition of low-lying energy spectrum and E2 transition for Sm isotopes are calculated

  8. Squeezing and other non-classical features in k-photon anharmonic oscillator in binomial and negative binomial states of the field

    International Nuclear Information System (INIS)

    Joshi, A.; Lawande, S.V.

    1990-01-01

    A systematic study of squeezing obtained from k-photon anharmonic oscillator (with interaction hamiltonian of the form (a † ) k , k ≥ 2) interacting with light whose statistics can be varied from sub-Poissonian to poissonian via binomial state of field and super-Poissonian to poissonian via negative binomial state of field is presented. The authors predict that for all values of k there is a tendency increase in squeezing with increased sub-Poissonian character of the field while the reverse is true with super-Poissonian field. They also present non-classical behavior of the first order coherence function explicitly for k = 2 case (i.e., for two-photon anharmonic oscillator model used for a Kerr-like medium) with variation in the statistics of the input light

  9. Vibration monitoring for aircraft wing model using fiber Bragg grating array packaged by vacuum-assisted resin transfer molding

    Science.gov (United States)

    Zhang, Wen; Liu, Xiaolong; He, Wei; Dong, Mingli; Zhu, Lianqing

    2017-09-01

    For the improvement of monitoring accuracy, a vibration monitoring for aircraft wing model using a fiber Bragg grating (FBG) array packaged by vacuum-assisted resin transfer molding (VARTM) is proposed. The working principle of the vibration monitoring using FBG array has been explained, which can theoretically support the idea of this paper. VARTM has been explained in detail, which is suitable for not only the single FBG sensor but also the FBG array within a relatively large area. The calibration experiment has been performed using the FBG sensor packaged by VARTM. The strain sensitivity of the VARTM package is 1.35 pm/μɛ and the linearity is 0.9999. The vibration monitoring experiment has been carried out using FBG array packaged by VARTM. The measured rate of strain changes across the aluminum test board used to simulate the aircraft wing is 0.69 μɛ/mm and the linearity is 0.9931. The damping ratio is 0.16, which could be further used for system performance evaluation. Experimental results demonstrate that the vibration monitoring using FBG sensors packaged by VARTM can be efficiently used for the structural health monitoring. Given the validation and great performance, this method is quite promising for in-flight monitoring and holds great reference value in other similar engineering structures.

  10. Modeling and analysis of circular flexural-vibration-mode piezoelectric transformer.

    Science.gov (United States)

    Huang, Yihua; Huang, Wei

    2010-12-01

    We propose a circular flexural-vibration-mode piezoelectric transformer and perform a theoretical analysis of the transformer. An equivalent circuit is derived from the equations of piezoelectricity and the Hamilton's principle. With this equivalent circuit, the voltage gain ratio, input impedance, and the efficiency of the circular flexural-vibration-mode piezoelectric transformer can be determined. The basic behavior of the transformer is shown by numerical results.

  11. Control model for dampening hand vibrations using information of internal and external coordinates.

    Directory of Open Access Journals (Sweden)

    Shunta Togo

    Full Text Available In the present study, we investigate a control mechanism that dampens hand vibrations. Here, we propose a control method with two components to suppress hand vibrations. The first is a passive suppression method that lowers the joint stiffness to passively dampen the hand vibrations. The second is an active suppression method that adjusts an equilibrium point based on skyhook control to actively dampen the hand vibrations. In a simulation experiment, we applied these two methods to dampen hand vibrations during the shoulder's horizontal oscillation. We also conducted a measurement experiment wherein a subject's shoulder was sinusoidally oscillated by a platform that generated horizontal oscillations. The results of the measurement experiments showed that the jerk of each part of the arm in a task using a cup filled with water was smaller than the shoulder jerk and that in a task with a cup filled with stones was larger than the shoulder jerk. Moreover, the amplitude of the hand trajectory in both horizontal and vertical directions was smaller in a task using a cup filled with water than in a task using a cup filled with stones. The results of the measurement experiments were accurately reproduced by the active suppression method based on skyhook control. These results suggest that humans dampen hand vibrations by controlling the equilibrium point through the information of the external workspace and the internal body state rather than by lowering joint stiffness only by using internal information.

  12. Ultrasonic Vibration Assisted Grinding of Bio-ceramic Materials: Modeling, Simulation, and Experimental Investigations on Edge Chipping

    Science.gov (United States)

    Tesfay, Hayelom D.

    Bio-ceramics are those engineered materials that find their applications in the field of biomedical engineering or medicine. They have been widely used in dental restorations, repairing bones, joint replacements, pacemakers, kidney dialysis machines, and respirators. etc. due to their physico-chemical properties, such as excellent corrosion resistance, good biocompatibility, high strength and high wear resistance. Because of their inherent brittleness and hardness nature they are difficult to machine to exact sizes and dimensions. Abrasive machining processes such as grinding is one of the most widely used manufacturing processes for bioceramics. However, the principal technical challenge resulted from these machining is edge chipping. Edge chipping is a common edge failure commonly observed during the machining of bio-ceramic materials. The presence of edge chipping on bio-ceramic products affects dimensional accuracy, increases manufacturing cost, hider their industrial applications and causes potential failure during service. To overcome these technological challenges, a new ultrasonic vibration-assisted grinding (UVAG) manufacturing method has been developed and employed in this research. The ultimate aim of this study is to develop a new cost-effective manufacturing process relevant to eliminate edge chippings in grinding of bio-ceramic materials. In this dissertation, comprehensive investigations will be carried out using experimental, theoretical, and numerical approaches to evaluate the effect of ultrasonic vibrations on edge chipping of bioceramics. Moreover, effects of nine input variables (static load, vibration frequency, grinding depth, spindle speed, grinding distance, tool speed, grain size, grain number, and vibration amplitude) on edge chipping will be studied based on the developed models. Following a description of previous research and existing approaches, a series of experimental tests on three bio-ceramic materials (Lava, partially fired Lava

  13. EUCLID/NISP GRISM qualification model AIT/AIV campaign: optical, mechanical, thermal and vibration tests

    Science.gov (United States)

    Caillat, A.; Costille, A.; Pascal, S.; Rossin, C.; Vives, S.; Foulon, B.; Sanchez, P.

    2017-09-01

    Dark matter and dark energy mysteries will be explored by the Euclid ESA M-class space mission which will be launched in 2020. Millions of galaxies will be surveyed through visible imagery and NIR imagery and spectroscopy in order to map in three dimensions the Universe at different evolution stages over the past 10 billion years. The massive NIR spectroscopic survey will be done efficiently by the NISP instrument thanks to the use of grisms (for "Grating pRISMs") developed under the responsibility of the LAM. In this paper, we present the verification philosophy applied to test and validate each grism before the delivery to the project. The test sequence covers a large set of verifications: optical tests to validate efficiency and WFE of the component, mechanical tests to validate the robustness to vibration, thermal tests to validate its behavior in cryogenic environment and a complete metrology of the assembled component. We show the test results obtained on the first grism Engineering and Qualification Model (EQM) which will be delivered to the NISP project in fall 2016.

  14. Model-independent quantitative measurement of nanomechanical oscillator vibrations using electron-microscope linescans

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Huan; Fenton, J. C.; Chiatti, O. [London Centre for Nanotechnology, University College London, 17–19 Gordon Street, London WC1H 0AH (United Kingdom); Warburton, P. A. [London Centre for Nanotechnology, University College London, 17–19 Gordon Street, London WC1H 0AH (United Kingdom); Department of Electronic and Electrical Engineering, University College London, Torrington Place, London WC1E 7JE (United Kingdom)

    2013-07-15

    Nanoscale mechanical resonators are highly sensitive devices and, therefore, for application as highly sensitive mass balances, they are potentially superior to micromachined cantilevers. The absolute measurement of nanoscale displacements of such resonators remains a challenge, however, since the optical signal reflected from a cantilever whose dimensions are sub-wavelength is at best very weak. We describe a technique for quantitative analysis and fitting of scanning-electron microscope (SEM) linescans across a cantilever resonator, involving deconvolution from the vibrating resonator profile using the stationary resonator profile. This enables determination of the absolute amplitude of nanomechanical cantilever oscillations even when the oscillation amplitude is much smaller than the cantilever width. This technique is independent of any model of secondary-electron emission from the resonator and is, therefore, applicable to resonators with arbitrary geometry and material inhomogeneity. We demonstrate the technique using focussed-ion-beam–deposited tungsten cantilevers of radius ∼60–170 nm inside a field-emission SEM, with excitation of the cantilever by a piezoelectric actuator allowing measurement of the full frequency response. Oscillation amplitudes approaching the size of the primary electron-beam can be resolved. We further show that the optimum electron-beam scan speed is determined by a compromise between deflection of the cantilever at low scan speeds and limited spatial resolution at high scan speeds. Our technique will be an important tool for use in precise characterization of nanomechanical resonator devices.

  15. Experimental Simulation of Flow-Induced Vibration for Developing a Grid-to-Rod Fretting Model

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Youngho; Kim, Hyungkyu; Kang, Heungseok [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2013-05-15

    GTRF margin was calculated based on the fuel reliabilities program of operating power plants. But they have not accumulated sufficient experience under challenging operating conditions to be considered proven solutions. In addition, GTRF behaviors were significantly differed according to the plant types, operating condition and fuel types. So, analytical methods to resolve GTRF degradations are considered as difficult procedures for actual application. One of the most important problems is that it is difficult to evaluate the GTRF resistance of new spacer grid under operating power plant condition. Up to now, as a consequence, compliance with the fretting wear limit (typically 10% of the cladding thickness) is checked a posteriori, through post-irradiation examination. Therefore, in this study, rod simulation method for determining GTRF resistance of new spacer grid was proposed with a specially designed wear tester. This simulator enables us to examine the spacer grid shape effect under relatively short development period. In addition, for developing GTRF model, flow-induced vibration (FIV) was measured with different major variables such as GTR clearance, flow rate, etc. Fretting wear tests of nuclear fuel rods (i. e. grid-to-rod fretting) have been performed to examine the flow rate effect by using a specially designed test section with a simulated primary coolant. Based on above results, developed FIV-wear simulator could be effective to examine the spacer grid shape effect with short development period. Further study will be discussed on the GTR clearance effect with various spacer grid shapes.

  16. Measurement Model and Precision Analysis of Accelerometers for Maglev Vibration Isolation Platforms

    Directory of Open Access Journals (Sweden)

    Qianqian Wu

    2015-08-01

    Full Text Available High precision measurement of acceleration levels is required to allow active control for vibration isolation platforms. It is necessary to propose an accelerometer configuration measurement model that yields such a high measuring precision. In this paper, an accelerometer configuration to improve measurement accuracy is proposed. The corresponding calculation formulas of the angular acceleration were derived through theoretical analysis. A method is presented to minimize angular acceleration noise based on analysis of the root mean square noise of the angular acceleration. Moreover, the influence of installation position errors and accelerometer orientation errors on the calculation precision of the angular acceleration is studied. Comparisons of the output differences between the proposed configuration and the previous planar triangle configuration under the same installation errors are conducted by simulation. The simulation results show that installation errors have a relatively small impact on the calculation accuracy of the proposed configuration. To further verify the high calculation precision of the proposed configuration, experiments are carried out for both the proposed configuration and the planar triangle configuration. On the basis of the results of simulations and experiments, it can be concluded that the proposed configuration has higher angular acceleration calculation precision and can be applied to different platforms.

  17. Measurement Model and Precision Analysis of Accelerometers for Maglev Vibration Isolation Platforms.

    Science.gov (United States)

    Wu, Qianqian; Yue, Honghao; Liu, Rongqiang; Zhang, Xiaoyou; Ding, Liang; Liang, Tian; Deng, Zongquan

    2015-08-14

    High precision measurement of acceleration levels is required to allow active control for vibration isolation platforms. It is necessary to propose an accelerometer configuration measurement model that yields such a high measuring precision. In this paper, an accelerometer configuration to improve measurement accuracy is proposed. The corresponding calculation formulas of the angular acceleration were derived through theoretical analysis. A method is presented to minimize angular acceleration noise based on analysis of the root mean square noise of the angular acceleration. Moreover, the influence of installation position errors and accelerometer orientation errors on the calculation precision of the angular acceleration is studied. Comparisons of the output differences between the proposed configuration and the previous planar triangle configuration under the same installation errors are conducted by simulation. The simulation results show that installation errors have a relatively small impact on the calculation accuracy of the proposed configuration. To further verify the high calculation precision of the proposed configuration, experiments are carried out for both the proposed configuration and the planar triangle configuration. On the basis of the results of simulations and experiments, it can be concluded that the proposed configuration has higher angular acceleration calculation precision and can be applied to different platforms.

  18. Dynamical modeling and free vibration analysis of spinning pipes conveying fluid with axial deployment

    Science.gov (United States)

    Liang, Feng; Yang, Xiao-Dong; Zhang, Wei; Qian, Ying-Jing

    2018-03-01

    In this paper, a dynamical model of simply-supported spinning pipes conveying fluid with axial deployment is proposed and the transverse free vibration and stability for such a doubly gyroscopic system involving time-dependent parameters are investigated. The partial differential equations of motion are derived by the extended Hamilton principle and then truncated by the Galerkin technique. The time-variant frequencies, mode shapes and responses to initial conditions are comprehensively investigated to reveal the dynamical essence of the system. It is indicated that the qualitative stability evolution of the system mainly depends on the effect of fluid-structure interaction (FSI), while the spinning motion will enhance the pipe rigidity and eliminate the buckling instability. The dynamical evolution of a retracting pipe is almost inverse to that of the deploying one. The pipe possesses different mode configurations of spatial curves as the pipe length increases and some modal and response characteristics of the present system are found rather distinct from those of deploying cantilevered structures.

  19. A 3D finite element model for the vibration analysis of asymmetric rotating machines

    Energy Technology Data Exchange (ETDEWEB)

    Prabel, B.; Combescure, D. [CEA Saclay, DEN, DM2S, SEMT, DYN, F-91191 Gif Sur Yvette (France); Lazarus, A. [Ecole Polytech, Mecan Solides Lab, F-91128 Palaiseau (France)

    2010-07-01

    This paper suggests a 3D finite element method based on the modal theory in order to analyse linear periodically time-varying systems. Presentation of the method is given through the particular case of asymmetric rotating machines. First, Hill governing equations of asymmetric rotating oscillators with two degrees of freedom are investigated. These differential equations with periodic coefficients are solved with classic Floquet theory leading to parametric quasi-modes. These mathematical entities are found to have the same fundamental properties as classic Eigenmodes, but contain several harmonics possibly responsible for parametric instabilities. Extension to the vibration analysis (stability, frequency spectrum) of asymmetric rotating machines with multiple degrees of freedom is achieved with a fully 3D finite element model including stator and rotor coupling. Due to Hill expansion, the usual degrees of freedom are duplicated and associated with the relevant harmonic of the Floquet solutions in the frequency domain. Parametric quasi-modes as well as steady-state response of the whole system are ingeniously computed with a component-mode synthesis method. Finally, experimental investigations are performed on a test rig composed of an asymmetric rotor running on non-isotropic supports. Numerical and experimental results are compared to highlight the potential of the numerical method. (authors)

  20. Effects of 8-Prenylnaringenin and Whole-Body Vibration Therapy on a Rat Model of Osteopenia.

    Science.gov (United States)

    Hoffmann, Daniel B; Griesel, Markus H; Brockhusen, Bastian; Tezval, Mohammad; Komrakova, Marina; Menger, Bjoern; Wassmann, Marco; Stuermer, Klaus Michael; Sehmisch, Stephan

    2016-01-01

    Background. 8-Prenylnaringenin (8-PN) is the phytoestrogen with the highest affinity for estrogen receptor-α (ER-α), which is required to maintain BMD. The osteoprotective properties of 8-PN have been demonstrated previously in tibiae. We used a rat osteopenia model to perform the first investigation of 8-PN with whole-body vertical vibration (WBVV). Study Design. Ovariectomy was performed on 52 of 64 Sprague-Dawley rats. Five weeks after ovariectomy, one group received daily injections (sc) of 8-PN (1.77 mg/kg) for 10 weeks; a second group was treated with both 8-PN and WBVV (twice a day, 15 min, 35 Hz, amplitude 0.47 mm). Other groups received either only WBVV or no treatment. Methods. The rats were sacrificed 15 weeks after ovariectomy. Lumbar vertebrae and femora were removed for biomechanical and morphological assessment. Results. 8-PN at a cancer-safe dose did not cause fundamental improvements in osteoporotic bones. Treatment with 8-PN caused a slight increase in uterine wet weight. Combined therapy using WBVV and 8-PN showed no significant improvements in bone structure and biomechanical properties. Conclusion. We cannot confirm the osteoprotective effects of 8-PN at a cancer-safe dose in primary affected osteoporotic bones. Higher concentrations of 8-PN are not advisable for safety reasons. Adjunctive therapy with WBVV demonstrates no convincing effects on bones.

  1. Effects of 8-Prenylnaringenin and Whole-Body Vibration Therapy on a Rat Model of Osteopenia

    Directory of Open Access Journals (Sweden)

    Daniel B. Hoffmann

    2016-01-01

    Full Text Available Background. 8-Prenylnaringenin (8-PN is the phytoestrogen with the highest affinity for estrogen receptor-α (ER-α, which is required to maintain BMD. The osteoprotective properties of 8-PN have been demonstrated previously in tibiae. We used a rat osteopenia model to perform the first investigation of 8-PN with whole-body vertical vibration (WBVV. Study Design. Ovariectomy was performed on 52 of 64 Sprague-Dawley rats. Five weeks after ovariectomy, one group received daily injections (sc of 8-PN (1.77 mg/kg for 10 weeks; a second group was treated with both 8-PN and WBVV (twice a day, 15 min, 35 Hz, amplitude 0.47 mm. Other groups received either only WBVV or no treatment. Methods. The rats were sacrificed 15 weeks after ovariectomy. Lumbar vertebrae and femora were removed for biomechanical and morphological assessment. Results. 8-PN at a cancer-safe dose did not cause fundamental improvements in osteoporotic bones. Treatment with 8-PN caused a slight increase in uterine wet weight. Combined therapy using WBVV and 8-PN showed no significant improvements in bone structure and biomechanical properties. Conclusion. We cannot confirm the osteoprotective effects of 8-PN at a cancer-safe dose in primary affected osteoporotic bones. Higher concentrations of 8-PN are not advisable for safety reasons. Adjunctive therapy with WBVV demonstrates no convincing effects on bones.

  2. A truncated conical beam model for analysis of the vibration of rat whiskers.

    Science.gov (United States)

    Yan, Wenyi; Kan, Qianhua; Kergrene, Kenan; Kang, Guozheng; Feng, Xi-Qiao; Rajan, Ramesh

    2013-08-09

    A truncated conical beam model is developed to study the vibration behaviour of a rat whisker. Translational and rotational springs are introduced to better represent the constraint conditions at the base of the whiskers in a living rat. Dimensional analysis shows that the natural frequency of a truncated conical beam with generic spring constraints at its ends is inversely proportional to the square root of the mass density. Under all the combinations of the classical free, pinned, sliding or fixed boundary conditions of a truncated conical beam, it is proved that the natural frequency can be expressed as f = α(rb/L(2))E/ρ and the frequency coefficient α only depends on the ratio of the radii at the two ends of the beam. The natural frequencies of a representative rat whisker are predicted for two typical situations: freely whisking in air and the tip touching an object. Our numerical results show that there exists a window where the natural frequencies of a rat whisker are very sensitive to the change of the rotational constraint at the base. This finding is also confirmed by the numerical results of 18 whiskers with their data available from literature. It can be concluded that the natural frequencies of a rat whisker can be adjusted within a wide range through manipulating the constraints of the follicle on the rat base by a behaving animal. Copyright © 2013 Elsevier Ltd. All rights reserved.

  3. Vibration mixer

    Energy Technology Data Exchange (ETDEWEB)

    Alekhin, S.A.; Chernov, V.S.; Denisenko, V.V.; Gorodnyanskiy, I.F.; Prokopov, L.I.; Tikhonov, Yu.P.

    1983-01-01

    The vibration mixer is proposed which contains a housing, vibration drive with rod installed in the upper part of the mixing mechanism made in the form of a hollow shaft with blades. In order to improve intensity of mixing and dispersion of the mud, the shaft with the blades is arranged on the rod of the vibrator and is equipped with a cam coupling whose drive disc is attached to the vibration rod. The rod is made helical, while the drive disc of the cam coupling is attached to the helical surface of the rod. In addition, the vibration mixer is equipped with perforated discs installed on the ends of the rods.

  4. Dynamic analysis of ITER tokamak. Based on results of vibration test using scaled model

    International Nuclear Information System (INIS)

    Takeda, Nobukazu; Kakudate, Satoshi; Nakahira, Masataka

    2005-01-01

    The vibration experiments of the support structures with flexible plates for the ITER major components such as toroidal field coil (TF coil) and vacuum vessel (VV) were performed using small-sized flexible plates aiming to obtain its basic mechanical characteristics such as dependence of the stiffness on the loading angle. The experimental results were compared with the analytical ones in order to estimate an adequate analytical model for ITER support structure with flexible plates. As a result, the bolt connection of the flexible plates on the base plate strongly affected on the stiffness of the flexible plates. After studies of modeling the connection of the bolts, it is found that the analytical results modeling the bolts with finite stiffness only in the axial direction and infinite stiffness in the other directions agree well with the experimental ones. Based on this, numerical analysis regarding the actual support structure of the ITER VV and TF coil was performed. The support structure composed of flexible plates and connection bolts was modeled as a spring composed of only two spring elements simulating the in-plane and out-of-plane stiffness of the support structure with flexible plates including the effect of connection bolts. The stiffness of both spring models for VV and TF coil agree well with that of shell models, simulating actual structures such as flexible plates and connection bolts based on the experimental results. It is therefore found that the spring model with the only two values of stiffness enables to simplify the complicated support structure with flexible plates for the dynamic analysis of the VV and TF coil. Using the proposed spring model, the dynamic analysis of the VV and TF coil for the ITER were performed to estimate the integrity under the design earthquake. As a result, it is found that the maximum relative displacement of 8.6 mm between VV and TF coil is much less than 100 mm, so that the integrity of the VV and TF coil of the

  5. Spectroscopy of vibrationally hot molecules: Hydrogen cyanide and acetylene

    International Nuclear Information System (INIS)

    Jonas, D.M.

    1992-01-01

    An efficient formula for calculating nuclear spin statistical weights is presented. New experimental methods to distinguish electric and magnetic multipole transitions are proposed and used to prove that the formaldehyde A - X 0-0 transition is a magnetic dipole transition. HIgh resolution vacuum ultraviolet studies of the A → X fluorescence excitation spectrum of hydrogen cyanide (HCN) have: (i) determined that only the (0,1,0) vibrational level of the HCN A-state has a sufficiently long fluorescence lifetime to be suitable for Stimulated Emission Pumping (SEP) studies; and (ii) measured the electric dipole moment of the A-state. Several transitions in the hydrogen cyanide A → X SEP spectrum are shown to be due to the axis-switching mechanism. From a Franck-Condon plot of the intensities and a comparison between sums of predicted rotational constants and sums of observed rotational constants, all of the remaining transitions in the SEP spectrum can be securly assigned. Two weak resonances; a 2:3 CH:CN stretch Fermi resonance and a 6:2 bend:CN stretch resonance appear in the SEP spectrum. Excitation of the CH stretching vibration is predicted and shown to be entirely absent, apart from resonances, in the HCN SEP spectrum. A → X SEP spectra of acetylene (HCCH) near E VIB = 7,000 cm -1 display a wealth of strong and fully assignable anharmonic resonances and forbidden rotational transitions. It is proved that Darling-Dennison resonance between the cis and trans bending vibrations is the crucial first step in a series of anharmonic resonances which can transfer nearly all the vibrational energy out of the initial CC stretch/trans-bend excitation at high vibrational energy. Secondary steps in the vibrational energy flow are vibrational-l-resonance and the '2345' Fermi resonance. For short times, the vibrational energy redistribution obeys very restrictive rules

  6. Vibrational multiconfiguration self-consistent field theory: implementation and test calculations.

    Science.gov (United States)

    Heislbetz, Sandra; Rauhut, Guntram

    2010-03-28

    A state-specific vibrational multiconfiguration self-consistent field (VMCSCF) approach based on a multimode expansion of the potential energy surface is presented for the accurate calculation of anharmonic vibrational spectra. As a special case of this general approach vibrational complete active space self-consistent field calculations will be discussed. The latter method shows better convergence than the general VMCSCF approach and must be considered the preferred choice within the multiconfigurational framework. Benchmark calculations are provided for a small set of test molecules.

  7. Towards a scalable and accurate quantum approach for describing vibrations of molecule–metal interfaces

    Directory of Open Access Journals (Sweden)

    David M. Benoit

    2011-08-01

    Full Text Available We present a theoretical framework for the computation of anharmonic vibrational frequencies for large systems, with a particular focus on determining adsorbate frequencies from first principles. We give a detailed account of our local implementation of the vibrational self-consistent field approach and its correlation corrections. We show that our approach is both robust, accurate and can be easily deployed on computational grids in order to provide an efficient computational tool. We also present results on the vibrational spectrum of hydrogen fluoride on pyrene, on the thiophene molecule in the gas phase, and on small neutral gold clusters.

  8. Reconsidering harmonic and anharmonic coherent states: Partial differential equations approach

    Energy Technology Data Exchange (ETDEWEB)

    Toutounji, Mohamad, E-mail: Mtoutounji@uaeu.ac.ae

    2015-02-15

    This article presents a new approach to dealing with time dependent quantities such as autocorrelation function of harmonic and anharmonic systems using coherent states and partial differential equations. The approach that is normally used to evaluate dynamical quantities involves formidable operator algebra. That operator algebra becomes insurmountable when employing Morse oscillator coherent states. This problem becomes even more complicated in case of Morse oscillator as it tends to exhibit divergent dynamics. This approach employs linear partial differential equations, some of which may be solved exactly and analytically, thereby avoiding the cumbersome noncommutative algebra required to manipulate coherent states of Morse oscillator. Additionally, the arising integrals while using the herein presented method feature stability and high numerical efficiency. The correctness, applicability, and utility of the above approach are tested by reproducing the partition and optical autocorrelation function of the harmonic oscillator. A closed-form expression for the equilibrium canonical partition function of the Morse oscillator is derived using its coherent states and partial differential equations. Also, a nonequilibrium autocorrelation function expression for weak electron–phonon coupling in condensed systems is derived for displaced Morse oscillator in electronic state. Finally, the utility of the method is demonstrated through further simplifying the Morse oscillator partition function or autocorrelation function expressions reported by other researchers in unevaluated form of second-order derivative exponential. Comparison with exact dynamics shows identical results.

  9. Anharmonicity Rise the Thermal Conductivity in Amorphous Silicon

    Science.gov (United States)

    Lv, Wei; Henry, Asegun

    We recently proposed a new method called Direct Green-Kubo Modal Analysis (GKMA) method, which has been shown to calculate the thermal conductivity (TC) of several amorphous materials accurately. A-F method has been widely used for amorphous materials. However, researchers have found out that it failed on several different materials. The missing component of A-F method is the harmonic approximation and considering only the interactions of modes with similar frequencies, which neglect interactions of modes with large frequency difference. On the contrary, GKMA method, which is based on molecular dynamics, intrinsically includes all types of phonon interactions. In GKMA method, each mode's TC comes from both mode self-correlations (autocorrelations) and mode-mode correlations (crosscorrelations). We have demonstrated that the GKMA predicted TC of a-Si from Tersoff potential is in excellent agreement with one of experimental results. In this work, we will present the GKMA applications on a-Si using multiple potentials and gives us more insight of the effect of anharmonicity on the TC of amorphous silicon. This research was supported Intel grant AGMT DTD 1-15-13 and computational resources by NSF supported XSEDE resources under allocations DMR130105 and TG- PHY130049.

  10. A new electron gas model for lattice vibrations in metals I : development of the model

    International Nuclear Information System (INIS)

    Ramamurthy, V.; Neelkandan, K.

    1978-01-01

    The theoretical study of the lattice dynamics of metals is generally based on either the phenomenological force constant method or the pseudopotential method. However, it has been found that all the existing phenomenological models are inconsistent. Hence a new model based on the deformation potential approximation has been developed. By comparing this model with the existing models, its salient features and limitations are discussed. (author)

  11. Effects of Plantar Vibration on Bone and Deep Fascia in a Rat Hindlimb Unloading Model of Disuse

    Directory of Open Access Journals (Sweden)

    Yunfei Huang

    2018-05-01

    Full Text Available The deep fascia of the vertebrate body comprises a biomechanically unique connective cell and tissue layer with integrative functions to support global and regional strain, tension, and even muscle force during motion and performance control. However, limited information is available on deep fascia in relation to bone in disuse. We used rat hindlimb unloading as a model of disuse (21 days of hindlimb unloading to study biomechanical property as well as cell and tissue changes to deep fascia and bone unloading. Rats were randomly divided into three groups (n = 8, each: hindlimb unloading (HU, HU + vibration (HUV, and cage-control (CON. The HUV group received local vibration applied to the plantar of both hind paws. Micro-computed tomography analyzed decreased bone mineral density (BMD of vertebra, tibia, and femur in HU vs. CON. Biomechanical parameters (elastic modulus, max stress, yield stress of spinal and crural fascia in HU were always increased vs. CON. Vibration in HUV only counteracted HU-induced tibia bone loss and crural fascia mechanical changes but failed to show comparable changes in the vertebra and spinal fascia on lumbar back. Tissue and cell morphometry (size and cell nuclear density, immunomarker intensity levels of anti-collagen-I and III, probed on fascia cryosections well correlated with biomechanical changes suggesting crural fascia a prime target for plantar vibration mechano-stimulation in the HU rat. We conclude that the regular biomechanical characteristics as well as tissue and cell properties in crural fascia and quality of tibia bone (BMD were preserved by local plantar vibration in disuse suggesting common mechanisms in fascia and bone adaptation to local mechanovibration stimulation following hind limb unloading in the HUV rat.

  12. Effects of Plantar Vibration on Bone and Deep Fascia in a Rat Hindlimb Unloading Model of Disuse.

    Science.gov (United States)

    Huang, Yunfei; Fan, Yubo; Salanova, Michele; Yang, Xiao; Sun, Lianwen; Blottner, Dieter

    2018-01-01

    The deep fascia of the vertebrate body comprises a biomechanically unique connective cell and tissue layer with integrative functions to support global and regional strain, tension, and even muscle force during motion and performance control. However, limited information is available on deep fascia in relation to bone in disuse. We used rat hindlimb unloading as a model of disuse (21 days of hindlimb unloading) to study biomechanical property as well as cell and tissue changes to deep fascia and bone unloading. Rats were randomly divided into three groups ( n = 8, each): hindlimb unloading (HU), HU + vibration (HUV), and cage-control (CON). The HUV group received local vibration applied to the plantar of both hind paws. Micro-computed tomography analyzed decreased bone mineral density (BMD) of vertebra, tibia, and femur in HU vs. CON. Biomechanical parameters (elastic modulus, max stress, yield stress) of spinal and crural fascia in HU were always increased vs. CON. Vibration in HUV only counteracted HU-induced tibia bone loss and crural fascia mechanical changes but failed to show comparable changes in the vertebra and spinal fascia on lumbar back. Tissue and cell morphometry (size and cell nuclear density), immunomarker intensity levels of anti-collagen-I and III, probed on fascia cryosections well correlated with biomechanical changes suggesting crural fascia a prime target for plantar vibration mechano-stimulation in the HU rat. We conclude that the regular biomechanical characteristics as well as tissue and cell properties in crural fascia and quality of tibia bone (BMD) were preserved by local plantar vibration in disuse suggesting common mechanisms in fascia and bone adaptation to local mechanovibration stimulation following hind limb unloading in the HUV rat.

  13. Benchmarking fully analytic DFT force fields for vibrational spectroscopy: A study on halogenated compounds

    Science.gov (United States)

    Pietropolli Charmet, Andrea; Cornaton, Yann

    2018-05-01

    This work presents an investigation of the theoretical predictions yielded by anharmonic force fields having the cubic and quartic force constants are computed analytically by means of density functional theory (DFT) using the recursive scheme developed by M. Ringholm et al. (J. Comput. Chem. 35 (2014) 622). Different functionals (namely B3LYP, PBE, PBE0 and PW86x) and basis sets were used for calculating the anharmonic vibrational spectra of two halomethanes. The benchmark analysis carried out demonstrates the reliability and overall good performances offered by hybrid approaches, where the harmonic data obtained at the coupled cluster with single and double excitations level of theory augmented by a perturbational estimate of the effects of connected triple excitations, CCSD(T), are combined with the fully analytic higher order force constants yielded by DFT functionals. These methods lead to reliable and computationally affordable calculations of anharmonic vibrational spectra with an accuracy comparable to that yielded by hybrid force fields having the anharmonic force fields computed at second order Møller-Plesset perturbation theory (MP2) level of theory using numerical differentiation but without the corresponding potential issues related to computational costs and numerical errors.

  14. Airy function approach and Numerov method to study the anharmonic oscillator potentials V(x) = Ax{sup 2α} + Bx{sup 2}

    Energy Technology Data Exchange (ETDEWEB)

    Al Sdran, N. [King Khalid University, Faculty of Science, Physics Department P.O. Box 9004 Abha (Saudi Arabia); Najran University, Faculty of Sciences and Arts, Najran (Saudi Arabia); Maiz, F., E-mail: fethimaiz@gmail.com [King Khalid University, Faculty of Science, Physics Department P.O. Box 9004 Abha (Saudi Arabia); Thermal Process Laboratory Research and Technologies Centre of Energy, BP 95, 2050 Hammam-lif (Tunisia)

    2016-06-15

    The numerical solutions of the time independent Schrödinger equation of different one-dimensional potentials forms are sometime achieved by the asymptotic iteration method. Its importance appears, for example, on its efficiency to describe vibrational system in quantum mechanics. In this paper, the Airy function approach and the Numerov method have been used and presented to study the oscillator anharmonic potential V(x) = Ax{sup 2α} + Bx{sup 2}, (A>0, B<0), with (α = 2) for quadratic, (α =3) for sextic and (α =4) for octic anharmonic oscillators. The Airy function approach is based on the replacement of the real potential V(x) by a piecewise-linear potential v(x), while, the Numerov method is based on the discretization of the wave function on the x-axis. The first energies levels have been calculated and the wave functions for the sextic system have been evaluated. These specific values are unlimited by the magnitude of A, B and α. It’s found that the obtained results are in good agreement with the previous results obtained by the asymptotic iteration method for α =3.

  15. Vibrational states as a representations of a SU(6) group

    International Nuclear Information System (INIS)

    Abdulvahabova, S.G.; Barkhalova, N.Sh.; Bayramova, T.O.

    2012-01-01

    Full text : In any event it is proved that a description of collective states in terms of a SU(6) model might be appropriate, especially in the two limiting situations in which the approximate symmetries O + (5) and SU(3) occur. For nuclei whose spectrum is not too far from these exact symmetries it might be useful to use the respective unperturbed wave functions and energies. The symmetry structure of the nuclear many body system is in general very complex. However, since only few degrees of freedom play a dominant role in the description of the collective states, it is hoped that the Hamiltonian of the system when written in terms of these degrees of freedom has simple symmetry properties. It is important to notice that our collective Hamiltonian yields a finite energy matrix for a given value of N and a definite spin. This is a consequence of the symmetry properties of our collective operators. Because the boson-boson interaction in Hamiltonian splits the degeneracy of the multiplets, this limit describes an anharmonic vibrator. It is worth nothing that the knowledge of the invariance properties of the Hamiltonian provides directly a solution to the eigenvalue problem.

  16. Application of the Modified Vlasov Model to the Free Vibration Analysis of Thick Plates Resting on Elastic Foundations

    OpenAIRE

    Ozgan, Korhan; Daloglu, Ayse T.

    2009-01-01

    The Modified Vlasov Model is applied to the free vibration analysis of thick plates resting on elastic foundations. The effects of the subsoil depth, plate dimensions and their ratio, the value of the vertical deformation parameter within the subsoil on the frequency parameters of plates on elastic foundations are investigated. A four-noded, twelve degrees of freedom quadrilateral finite element (PBQ4) is used for plate bending analysis based on Mindlin plate theory which is effectively appli...

  17. Numerical modeling of deformation and vibrations in the construction of large-size fiberglass cooling tower fan

    Directory of Open Access Journals (Sweden)

    Fanisovich Shmakov Arthur

    2016-01-01

    Full Text Available This paper presents the results of numerical modeling of deformation processes and the analysis of the fundamental frequencies of the construction of large-size fiberglass cooling tower fan. Obtain the components of the stress-strain state structure based on imported gas dynamic and thermal loads and the form of fundamental vibrations. The analysis of fundamental frequencies, the results of which have been proposed constructive solutions to reduce the probability of failure of the action of aeroelastic forces.

  18. Modeling and Parameter Identification of the Vibration Characteristics of Armature Assembly in a Torque Motor of Hydraulic Servo Valves under Electromagnetic Excitations

    Directory of Open Access Journals (Sweden)

    Jinghui Peng

    2014-07-01

    Full Text Available The resonance of the armature assembly is the main problem leading to the fatigue of the spring pipe in a torque motor of hydraulic servo valves, which can cause the failure of servo valves. To predict the vibration characteristics of the armature assembly, this paper focuses on the mathematical modeling of the vibration characteristics of armature assembly in a hydraulic servo valve and the identification of parameters in the models. To build models more accurately, the effect of the magnetic spring is taken into account. Vibration modal analysis is performed to obtain the mode shapes and natural frequencies, which are necessary to implement the identification of damping ratios in the mathematical models. Based on the mathematical models for the vibration characteristics, the harmonic responses of the armature assembly are analyzed using the finite element method and measured under electromagnetic excitations. The simulation results agree well with the experimental studies.

  19. Vibrational quasi-continuum in unimolecular multiphoton dissociation

    Energy Technology Data Exchange (ETDEWEB)

    Garcia Fernandez, P.; Gonzalez-Diaz, P.F.

    1987-04-01

    The vibrational quasi-continuum of the boron trifluoride molecule has been qualitatively studied and the formalism extended to treat N-normal-mode molecules. The anharmonic potential curves for the BF/sub 3/ normal modes have been calculated, and the computed anharmonicity constants have been tested against the fundamental frequencies. The potential curve of the wagging mode has been simulated by an internal rotation of one of the fluoride atoms. The vibrational-energy levels and wave functions have been calculated applying second-order perturbation theory. The quasi-continuum energy levels of BF/sub 3/ have been obtained by means of a method based in forming adequate linear combinations of wave functions belonging to the N-1 modes resulting from removing the i.r.-active mode;the associated energies have been minimized using a constrained minimization procedure. It has been found that the energy pattern of the N-1 vibrational modes possesses an energy density high enough for constituting a vibrational heat bath and, finally, it has been verified that the ''fictitious'' pattern of the active mode is included in the pattern of the N-1 modes.

  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. Modelling and Analysis of Automobile Vibration System Based on Fuzzy Theory under Different Road Excitation Information

    Directory of Open Access Journals (Sweden)

    Xue-wen Chen

    2018-01-01

    Full Text Available A fuzzy increment controller is designed aimed at the vibration system of automobile active suspension with seven degrees of freedom (DOF. For decreasing vibration, an active control force is acquired by created Proportion-Integration-Differentiation (PID controller. The controller’s parameters are adjusted by a fuzzy increment controller with self-modifying parameters functions, which adopts the deviation and its rate of change of the body’s vertical vibration velocity and the desired value in the position of the front and rear suspension as the input variables based on 49 fuzzy control rules. Adopting Simulink, the fuzzy increment controller is validated under different road excitation, such as the white noise input with four-wheel correlation in time-domain, the sinusoidal input, and the pulse input of C-grade road surface. The simulation results show that the proposed controller can reduce obviously the vehicle vibration compared to other independent control types in performance indexes, such as, the root mean square value of the body’s vertical vibration acceleration, pitching, and rolling angular acceleration.

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

    Energy Technology Data Exchange (ETDEWEB)

    Hanson-Heine, Magnus W. D., E-mail: magnus.hansonheine@nottingham.ac.uk [School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD (United Kingdom)

    2015-10-28

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

  3. Simple vibration modeling of structural fuzzy with continuous boundary by including two-dimensional spatial memory

    DEFF Research Database (Denmark)

    Friis, Lars; Ohlrich, Mogens

    2008-01-01

    Many complicated systems of practical interest consist basically of a well-defined outer shell-like master structure and a complicated internal structure with uncertain dynamic properties. Using the "fuzzy structure theory" for predicting audible frequency vibration, the internal structure......-dimensional continuous boundary. Additionally, a simple method for determining the so-called equivalent coupling factor is presented. The validity of this method is demonstrated by numerical simulations of the vibration response of a master plate structure with fuzzy attachments. It is revealed that the method performs...

  4. Development of a Novel Translational Model of Vibration Injury to the Spine to Study Acute Injury

    Science.gov (United States)

    2013-10-01

    to Dr. Nicolas Jaumard for input on device fabrica- tion and mechanical analyses. REFERENCES 1. Boshuizen HC, Bongers PM, Hulshof CT. 1992. Self...reported back pain in fork-lift truck and freight-container tractor drivers exposed to whole-body vibration. Spine 17:59–65. 2. Bovenzi M, Hulshof CTJ. 1988...Occup Environ Health 72:351–365. 3. Boshuizen HC, Bongers PM, Hulshof CT. 1999. Effect of whole body vibration on low back pain. Spine 24:2506–2515. 4

  5. Nonlinear finite element modeling of vibration control of plane rod-type structural members with integrated piezoelectric patches

    Science.gov (United States)

    Chróścielewski, Jacek; Schmidt, Rüdiger; Eremeyev, Victor A.

    2018-05-01

    This paper addresses modeling and finite element analysis of the transient large-amplitude vibration response of thin rod-type structures (e.g., plane curved beams, arches, ring shells) and its control by integrated piezoelectric layers. A geometrically nonlinear finite beam element for the analysis of piezolaminated structures is developed that is based on the Bernoulli hypothesis and the assumptions of small strains and finite rotations of the normal. The finite element model can be applied to static, stability, and transient analysis of smart structures consisting of a master structure and integrated piezoelectric actuator layers or patches attached to the upper and lower surfaces. Two problems are studied extensively: (i) FE analyses of a clamped semicircular ring shell that has been used as a benchmark problem for linear vibration control in several recent papers are critically reviewed and extended to account for the effects of structural nonlinearity and (ii) a smart circular arch subjected to a hydrostatic pressure load is investigated statically and dynamically in order to study the shift of bifurcation and limit points, eigenfrequencies, and eigenvectors, as well as vibration control for loading conditions which may lead to dynamic loss of stability.

  6. Identification of Serine Conformers by Matrix-Isolation IR Spectroscopy Aided by Near-Infrared Laser Induced Conformational Change, 2D Correlation Analysis, and Quantum Mechanical Anharmonic Computations

    Science.gov (United States)

    Najbauer, Eszter E.; Bazsó, Gábor; Apóstolo, Rui; Fausto, Rui; Biczysko, Malgorzata; Barone, Vincenzo; Tarczay, György

    2018-01-01

    The conformers of α-serine were investigated by matrix-isolation IR spectroscopy combined with NIR laser irradiation. This method, aided by 2D correlation analysis, enabled unambiguously grouping the spectral lines to individual conformers. On the basis of comparison of at least nine experimentally observed vibrational transitions of each conformer with empirically scaled (SQM) and anharmonic (GVPT2) computed IR spectra, 6 conformers were identified. In addition, the presence of at least one more conformer in Ar matrix was proved, and a short-lived conformer with a half-live of (3.7±0.5)·103 s in N2 matrix was generated by NIR irradiation. The analysis of the NIR laser induced conversions revealed that the excitation of the stretching overtone of both the side-chain and the carboxylic OH groups can effectively promote conformational changes, but remarkably different paths were observed for the two kinds of excitations. PMID:26201050

  7. Stochastic Response of Energy Balanced Model for Vortex-Induced Vibration

    DEFF Research Database (Denmark)

    Nielsen, Søren R.K.; Krenk, S.

    of lightly damped structures are found on two branches, with the highest amplification branch on the low-frequency branch. The effect free wind turbulence is to destabilize the vibrations on the high amplification branch, thereby reducing the oscillation amplitude. The effect is most pronounced for very...

  8. Vibration analysis of a trimorph plate as a precursor model for smart automotive bodywork

    International Nuclear Information System (INIS)

    Big-Alabo, A; Cartmell, M P

    2012-01-01

    This study investigates the vibration characteristics of a proposed candidate structure for smarter car bodies. The material is conceived as a three-layer laminated structure in the form of a trimorph plate. The vibration response of the plate is investigated for large deflections by considering the effects of geometric nonlinearity. First, the governing equation for the mid-point deflection of the plate is developed based on classical laminate plate theory (CLPT). The governing equation is solved, and a simulation is run for different possible layer-stacking sequences. Comparisons are made between the nonlinear vibration response of this trimorph plate both with and without the effects of the von Kármán geometric nonlinearity. The results show that for the same material properties the different layer-stacking sequences produce different vibration responses, and from there it is concluded that layer-stacking sequencing is a basis for the definition of a suitable material configuration for high performance automotive applications.

  9. Blades Forced Vibration Under Aero-Elastic Excitation Modeled by Van der Pol

    Czech Academy of Sciences Publication Activity Database

    Půst, Ladislav; Pešek, Luděk

    2017-01-01

    Roč. 27, č. 11 (2017), č. článku 1750166. ISSN 0218-1274 R&D Projects: GA ČR GA16-04546S Institutional support: RVO:61388998 Keywords : ade vibration * aero-elastic force * self-excitation * van der Pol Subject RIV: BI - Acoustics OBOR OECD: Applied mechanics Impact factor: 1.329, year: 2016

  10. Thermal expansion, anharmonicity and temperature-dependent Raman spectra of single- and few-layer MoSe₂ and WSe₂.

    Science.gov (United States)

    Late, Dattatray J; Shirodkar, Sharmila N; Waghmare, Umesh V; Dravid, Vinayak P; Rao, C N R

    2014-06-06

    We report the temperature-dependent Raman spectra of single- and few-layer MoSe2 and WSe2 in the range 77-700 K. We observed linear variation in the peak positions and widths of the bands arising from contributions of anharmonicity and thermal expansion. After characterization using atomic force microscopy and high-resolution transmission electron microscopy, the temperature coefficients of the Raman modes were determined. Interestingly, the temperature coefficient of the A(2)(2u) mode is larger than that of the A(1g) mode, the latter being much smaller than the corresponding temperature coefficients of the same mode in single-layer MoS2 and of the G band of graphene. The temperature coefficients of the two modes in single-layer MoSe2 are larger than those of the same modes in single-layer WSe2. We have estimated thermal expansion coefficients and temperature dependence of the vibrational frequencies of MoS2 and MoSe2 within a quasi-harmonic approximation, with inputs from first-principles calculations based on density functional theory. We show that the contrasting temperature dependence of the Raman-active mode A(1g) in MoS2 and MoSe2 arises essentially from the difference in their strain-phonon coupling. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Nightmare from which you will never awake: Electronic to vibrational spectra!

    Energy Technology Data Exchange (ETDEWEB)

    De Silva, Nuwon [Iowa State Univ., Ames, IA (United States)

    2013-01-01

    The theoretical background of ab initio methods and density functional theory is provided. The anharmonicity associated with weakly bound metal cation dihydrogen complexes is examined using the vibrational self-consistent field (VSCF) method and the interaction between a hydrogen molecule and a metal cation is characterized. A study of molecular hydrogen clustering around the lithium cation and their accompanied vibrational anharmonicity employing VSCF is illustrated. A qualitative interpretation is provided of solvent-induced shifts of amides and simulated electronic absorption spectra using the combined time-dependent density functional theory/effective fragment potential method (TDDFT/EFP). An excited-state solvent assisted quadruple hydrogen atom transfer reaction of a coumarin derivative is elucidated using micro solvated quantum mechanical (QM) water and macro solvated EFP water. A dispersion correction to the QM-EFP1 interaction energy is presented.

  12. Embedding human annoyance rate models in wireless smart sensors for assessing the influence of subway train-induced ambient vibration

    Science.gov (United States)

    Sun, Ke; Zhang, Wei; Ding, Huaping; Kim, Robin E.; Spencer, Billie F., Jr.

    2016-10-01

    The operation of subway trains induces ambient vibrations, which may cause annoyance and other adverse effects on humans, eventually leading to physical, physiological, and psychological problems. In this paper, the human annoyance rate (HAR) models, used to assess the human comfort under the subway train-induced ambient vibrations, were deduced and the calibration curves for 5 typical use circumstances were addressed. An autonomous measurement system, based on the Imote2, wireless smart sensor (WSS) platform, plus the SHM-H, high-sensitivity accelerometer board, was developed for the HAR assessment. The calibration curves were digitized and embedded in the computational core of the WSS unit. Experimental validation was conducted, using the developed system on a large underground reinforced concrete frame structure adjoining the subway station. The ambient acceleration of both basement floors was measured; the embedded computation was implemented and the HAR assessment results were wirelessly transmitted to the central server, all by the WSS unit. The HAR distributions of the testing areas were identified, and the extent to which both basements will be influenced by the close-up subway-train’s operation, in term of the 5 typical use circumstances, were quantitatively assessed. The potential of the WSS-based autonomous system for the fast environment impact assessment of the subway train-induced ambient vibration was well demonstrated.

  13. Ship Vibrations

    DEFF Research Database (Denmark)

    Sørensen, Herman

    1997-01-01

    Methods for calculating natural frequencies for ship hulls and for plates and panels.Evaluation of the risk for inconvenient vibrations on board......Methods for calculating natural frequencies for ship hulls and for plates and panels.Evaluation of the risk for inconvenient vibrations on board...

  14. A new fractional nonlocal model and its application in free vibration of Timoshenko and Euler-Bernoulli beams

    Science.gov (United States)

    Rahimi, Zaher; Sumelka, Wojciech; Yang, Xiao-Jun

    2017-11-01

    The application of fractional calculus in fractional models (FMs) makes them more flexible than integer models inasmuch they can conclude all of integer and non-integer operators. In other words FMs let us use more potential of mathematics to modeling physical phenomena due to the use of both integer and fractional operators to present a better modeling of problems, which makes them more flexible and powerful. In the present work, a new fractional nonlocal model has been proposed, which has a simple form and can be used in different problems due to the simple form of numerical solutions. Then the model has been used to govern equations of the motion of the Timoshenko beam theory (TBT) and Euler-Bernoulli beam theory (EBT). Next, free vibration of the Timoshenko and Euler-Bernoulli simply-supported (S-S) beam has been investigated. The Galerkin weighted residual method has been used to solve the non-linear governing equations.

  15. Experimental investigation of biodynamic human body models subjected to whole-body vibration during a vehicle ride.

    Science.gov (United States)

    Taskin, Yener; Hacioglu, Yuksel; Ortes, Faruk; Karabulut, Derya; Arslan, Yunus Ziya

    2018-02-06

    In this study, responses of biodynamic human body models to whole-body vibration during a vehicle ride were investigated. Accelerations were acquired from three different body parts, such as the head, upper torso and lower torso, of 10 seated passengers during a car ride while two different road conditions were considered. The same multipurpose vehicle was used during all experiments. Additionally, by two widely used biodynamic models in the literature, a set of simulations were run to obtain theoretical accelerations of the models and were compared with those obtained experimentally. To sustain a quantified comparison between experimental and theoretical approaches, the root mean square acceleration and acceleration spectral density were calculated. Time and frequency responses of the models demonstrated that neither of the models showed the best prediction performance of the human body behaviour in all cases, indicating that further models are required for better prediction of the human body responses.

  16. Calculations of lattice vibrational mode lifetimes using Jazz: a Python wrapper for LAMMPS

    International Nuclear Information System (INIS)

    Gao, Y; Wang, H; Daw, M S

    2015-01-01

    Jazz is a new python wrapper for LAMMPS [1], implemented to calculate the lifetimes of vibrational normal modes based on forces as calculated for any interatomic potential available in that package. The anharmonic character of the normal modes is analyzed via the Monte Carlo-based moments approximation as is described in Gao and Daw [2]. It is distributed as open-source software and can be downloaded from the website http://jazz.sourceforge.net/. (paper)

  17. Calculations of lattice vibrational mode lifetimes using Jazz: a Python wrapper for LAMMPS

    Science.gov (United States)

    Gao, Y.; Wang, H.; Daw, M. S.

    2015-06-01

    Jazz is a new python wrapper for LAMMPS [1], implemented to calculate the lifetimes of vibrational normal modes based on forces as calculated for any interatomic potential available in that package. The anharmonic character of the normal modes is analyzed via the Monte Carlo-based moments approximation as is described in Gao and Daw [2]. It is distributed as open-source software and can be downloaded from the website http://jazz.sourceforge.net/.

  18. A Novel Wake Oscillator Model for Vortex-Induced Vibrations Prediction of A Cylinder Considering the Influence of Reynolds Number

    Science.gov (United States)

    Gao, Xi-feng; Xie, Wu-de; Xu, Wan-hai; Bai, Yu-chuan; Zhu, Hai-tao

    2018-04-01

    It is well known that the Reynolds number has a significant effect on the vortex-induced vibrations (VIV) of cylinders. In this paper, a novel in-line (IL) and cross-flow (CF) coupling VIV prediction model for circular cylinders has been proposed, in which the influence of the Reynolds number was comprehensively considered. The Strouhal number linked with the vortex shedding frequency was calculated through a function of the Reynolds number. The coefficient of the mean drag force was fitted as a new piecewise function of the Reynolds number, and its amplification resulted from the CF VIV was also taken into account. The oscillating drag and lift forces were modelled with classical van der Pol wake oscillators and their empirical parameters were determined based on the lock-in boundaries and the peak-amplitude formulas. A new peak-amplitude formula for the IL VIV was developed under the resonance condition with respect to the mass-damping ratio and the Reynolds number. When compared with the results from the experiments and some other prediction models, the present model could give good estimations on the vibration amplitudes and frequencies of the VIV both for elastically-mounted rigid and long flexible cylinders. The present model considering the influence of the Reynolds number could generally provide better results than that neglecting the effect of the Reynolds number.

  19. MODELING OF EQUIVALENT STIFFNESS OF A MAGNETIC SPRING OF VIBRATION EXCITER BASED ON COAXIAL-LINEAR MOTOR

    Directory of Open Access Journals (Sweden)

    G.M. Golenkov

    2015-12-01

    Full Text Available Purpose. The research of the influence of value and direction of current on the equivalent spring magnetic force based on coaxial-linear motor (CLM – MS. Methodology. We carried out investigation of the equivalent harshness of magnetic spring with determination of electromechanical propulsion performance characteristics by the methods of computer modeling and experimental research of physical model of CLM – MS. The modeling of magnetic spring of CLM – MS is carried out by the finite-element method. The challenge is met as an axisymmetric challenge in cylindrical co-ordinates in magnetostatic approach. The experimental investigattion of the propulsion performance characteristics of magnetic spring is carried out on the test bench. Results. After the computer modeling and the experimental investigation of the electromechanical propulsion performance characteristics of magnetic spring the expressions of equivalent stiffness coefficient depending on the current in winding are obtained. The results of computer modeling are confirmed experimentally. Originality. The determination of equivalent stiffness coefficient of magnetic spring of vibration exciter based on coaxial-linear motor. Practical value. The obtained determination of equivalent stiffness coefficient of magnetic spring may be used in process of designing of vibration machines with devices for change of natural oscillation frequency.

  20. Neutron scattering by anharmonic crystals and the effect of sublattice displacements

    International Nuclear Information System (INIS)

    Viswanathan, K.S.; Phillip, Jacob

    1979-01-01

    A theory has been described for the scattering of neutrons by anharmonic crystals, for which terms of the type Vsup(3) (k 1 j 1 ;-k 1 j 1 ;aj) which contribute to the sublattice displacements are not neglected. It is shown that the sublattice displacements will modify the phase factor arising from the scattering by any atom in the unit cell, and the Debye-Waller factor also gets altered both by the sublattice displacements as well as by higher order terms arising from anharmonicity. (author)

  1. Application of eigenfunction orthogonalities to vibration problems

    CSIR Research Space (South Africa)

    Fedotov, I

    2009-07-01

    Full Text Available The modelling of vibration problems is of great importance in engineering. A popular method of analysing such problems is the variational method. The simplest vibration model is represented using the example of a long rod. Two kinds...

  2. Mathematical Modelling and Parameter Identification of an Electro-Magneto-Mechanical Actuator for Vibration Control

    DEFF Research Database (Denmark)

    Darula, Radoslav; Stein, George Juraj; Kallesøe, Carsten Skovmose

    2012-01-01

    . The electric circuit is closed with a shunt resistance connected to the electromagnet. The current induced in the circuit generates additional alternating magnetic force. This force counteracts the original vibration and damps it. In this way the coupled electro-magneto-mechanical system suppresses the forced...... of the electromagnetic circuit in its various operational regimes. The parametric identification supplements mathematical derivations. The analyzed mechanical system is essentially a Single Degree-Of-Freedom (SDOF) oscillatory system augmented by magnetic force influence. The additional magnetic force is generated...... by an electromagnet with armature. The electromagnet is energized by a constant voltage source. The SDOF system is excited by a harmonic force causing vibration of the armature. Due to the reluctance variation of the air gap of the magnetic circuit alternating voltage is generated across the coil terminals...

  3. Modeling coupled bending, axial, and torsional vibrations of a CANDU fuel rod subjected to multiple frictional contact constraints

    International Nuclear Information System (INIS)

    Fadaee, M.; Yu, S.D.

    2013-01-01

    In this paper, a finite element based dynamic model is presented for bending, axial, and torsional vibrations of an outer CANDU fuel element subjected to multiple unilateral frictional contact (MUFC) constraints. The Bozzak-Newmark relaxation-integration scheme is used to discretize the equations of motion in the time domain. At a time step, equations of state of the fuel element with MUFC constraints reduce to a linear complementarity problem (LCP). Results are compared with those available in the literature. Good agreement is achieved. The 2D sliding and stiction motion of a fuel element at points of contact is obtained for harmonic excitations. (author)

  4. Vibrational effects on surface energies and band gaps in hexagonal and cubic ice

    International Nuclear Information System (INIS)

    Engel, Edgar A.; Needs, Richard J.; Monserrat, Bartomeu

    2016-01-01

    Surface energies of hexagonal and cubic water ice are calculated using first-principles quantum mechanical methods, including an accurate description of anharmonic nuclear vibrations. We consider two proton-orderings of the hexagonal and cubic ice basal surfaces and three proton-orderings of hexagonal ice prism surfaces, finding that vibrations reduce the surface energies by more than 10%. We compare our vibrational densities of states to recent sum frequency generation absorption measurements and identify surface proton-orderings of experimental ice samples and the origins of characteristic absorption peaks. We also calculate zero point quantum vibrational corrections to the surface electronic band gaps, which range from −1.2 eV for the cubic ice basal surface up to −1.4 eV for the hexagonal ice prism surface. The vibrational corrections to the surface band gaps are up to 12% smaller than for bulk ice.

  5. Flow-induced vibration test of an advanced water reactor model. Pt. 1. Turbulence-induced forcing function

    International Nuclear Information System (INIS)

    Au-Yang, M.K.; Brenneman, B.; Raj, D.

    1995-01-01

    A 1:9 scale model of a proposed advanced water reactor was tested for flow-induced vibration. The main objectives of this test were: (1) to derive an empirical equation for the turbulence forcing function which can be applied to the full-sized prototype; (2) to study the effect of viscosity on the turbulence; (3) to verify the ''superposition'' assumption widely used in dynamic analysis of weakly coupled fluid-shell systems; and (4) to measure the shell responses to verify methods and computer programs used in the flow-induced vibration analysis of the prototype. This paper describes objectives (1), (2), and (3); objective (4) will be discussed in a companion paper.The turbulence-induced fluctuating pressure was measured at 49 locations over the surface of a thick-walled, non-responsive scale model of the reactor vessel/core support cylinders. An empirical equation relating the fluctuating pressure, the frequency, and the distance from the inlet nozzle center line was derived to fit the test data. This equation involves only non-dimensional, fluid mechanical parameters that are postulated to represent the full-sized, geometrically similar prototype. While this postulate cannot be verified until similar measurements are taken on the full-sized unit, a similar approach using a 1:6 scale model of a commercial pressurized water reactor was verified in the mid-1970s by field measurements on the full-sized reactor. (orig.)

  6. Vibrational and chiroptical spectroscopic characterization of gamma-turn model cyclic tetrapeptides containing two beta-Ala residues.

    Science.gov (United States)

    Vass, Elemér; Majer, Zsuzsa; Kohalmy, Krisztina; Hollósi, Miklós

    2010-08-01

    The optical spectroscopic characterization of gamma-turns in solution is uncertain and their distinction from beta-turns is often difficult. This work reports systematic ECD and vibrational circular dichroism (VCD) spectroscopic studies on gamma-turn model cyclic tetrapeptides cyclo(Ala-beta-Ala-Pro-beta-Ala) (1), cyclo(Pro-beta-Ala-Pro-beta-Ala) (2) and cyclo(Ala-beta-Ala-Ala-beta-Ala) (3). Conformational analysis performed at the 6-31G(d)/B3LYP level of theory using an adequate PCM solvent model predicted one predominant conformer for 1-3, featuring two inverse gamma-turns. The ECD spectra in ACN of 1 and 2 are characterized by a negative n-->pi* band near 230 nm and a positive pi-->pi* band below 200 nm with a long wavelength shoulder. The ECD spectra in TFE of 1-3 show similar spectra with blue-shifted bands. The VCD spectra in ACN-d(3) of 1 and 2 show a +/-/+/- amide I sign pattern resulting from four uncoupled vibrations in the case of 1 and a sequence of two positive couplets in the case of 2. A -/+/+/- amide I VCD pattern was measured for 3 in TFE-d(2). All three peptides give a positive couplet or couplet-like feature (+/-) in the amide II region. VCD spectroscopy, in agreement with theoretical calculations revealed that low frequency amide I vibrations (at approximately 1630 cm(-1) or below) are indicative of a C(7) H-bonded inverse gamma-turns with Pro in position 2, while gamma-turns encompassing Ala absorb at higher frequency (above 1645 cm(-1)). Copyright 2010 Wiley-Liss, Inc.

  7. Urban vibrations

    DEFF Research Database (Denmark)

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

    2012-01-01

    In   this   paper   we   describe   a   field   study   conducted   with   a   wearable   vibration   belt   where   we   test   to   determine   the   vibration   intensity   sensitivity   ranges   on   a   large   diverse   group   of   participants   with   evenly   distributed  ages  and...

  8. Rotational states of Bose gases with attractive interactions in anharmonic traps

    International Nuclear Information System (INIS)

    Lundh, Emil; Collin, Anssi; Suominen, Kalle-Antti

    2004-01-01

    A rotated and harmonically trapped Bose gas with attractive interactions is expected to either remain stationary or escape from the trap. Here we report that, on the contrary, in an anharmonic trapping potential the Bose gas with attractive interactions responds to external rotation very differently, namely, through center-of-mass motion or by formation of vortices

  9. Scattering of acoustic waves from a surface in the presence of an anharmonic interface

    DEFF Research Database (Denmark)

    Kulak, A.; Lodziana, Zbigniew; Srokowski, T.

    2002-01-01

    Energy transfer coefficient (analogue of LDOS) and aperiodicity index are defined to characterise the nonlinear response and the surface resonances in a thin layer separated from the underlying bulk crystal by an anharmonic interface. Regions of periodic, aperiodic and intermittent motion of the ...

  10. Internal oscillation frequencies and anharmonic effects for the double sine-Gordon kink

    DEFF Research Database (Denmark)

    Salerno, M.; Samuelsen, Mogens Rugholm

    1989-01-01

    A simple derivation of the small oscillation frequency around 4π-kink solutions of the double sine-Gordon equation is presented. Small corrections to these frequencies due to anharmonic effects are also numerically and analytically investigated. The analysis is based on energetic considerations...

  11. Hydrogen atom in a uniform electromagnetic field as an anharmonic oscillator

    International Nuclear Information System (INIS)

    Kibler, M.; Negadi, T.

    1984-01-01

    This work establishes, by means of the Kustaanheimo-Stiefel transformation, a connection between two branches of theoretical physics which are, in present times, the object of numerous studies: the quantum mechanics of anharmonic oscillators and of the hydrogen atom in a (strong) homogeneous and constant electromagnetic field

  12. Remark on the solution of the Schroedinger equation for anharmonic oscillators via the Feynman path integral

    International Nuclear Information System (INIS)

    Rezende, J.

    1983-01-01

    We give a simple proof of Feynman's formula for the Green's function of the n-dimensional harmonic oscillator valid for every time t with Im t<=0. As a consequence the Schroedinger equation for the anharmonic oscillator is integrated and expressed by the Feynman path integral on Hilbert space. (orig.)

  13. Anharmonic solution of Schrödinger time-independent equation

    Indian Academy of Sciences (India)

    243–261. Anharmonic solution of Schrödinger time-independent equation. MOHAMMED ASHRAFUL ISLAM1,2,∗ and JAMAL NAZRUL ISLAM1. 1Research Centre for Mathematical and Physical Sciences, University of Chittagong, Chittagong,. Bangladesh. 2Department of Mathematics, University of Chittagong, Chittagong, ...

  14. Vibrational Markovian modelling of footprints after the interaction of antibiotics with the packaging region of HIV type 1.

    Science.gov (United States)

    Díaz, Humberto González; de Armas, Ronal Ramos; Molina, Reinaldo

    2003-11-01

    The design of novel anti-HIV compounds has now become a crucial area for scientists working in numerous interrelated fields of science such as molecular biology, medicinal chemistry, mathematical biology, molecular modelling and bioinformatics. In this context, the development of simple but physically meaningful mathematical models to represent the interaction between anti-HIV drugs and their biological targets is of major interest. One such area currently under investigation involves the targets in the HIV-RNA-packaging region. In the work described here, we applied Markov chain theory in an attempt to describe the interaction between the antibiotic paromomycin and the packaging region of the RNA in Type-1 HIV. In this model, a nucleic acid squeezed graph is used. The vertices of the graph represent the nucleotides while the edges are the phosphodiester bonds. A stochastic (Markovian) matrix was subsequently defined on this graph, an operation that codifies the probabilities of interaction between specific nucleotides of HIV-RNA and the antibiotic. The strength of these local interactions can be calculated through an inelastic vibrational model. The successive power of this matrix codifies the probabilities with which the vibrations after drug-RNA interactions vanish along the polynucleotide main chain. The sums of self-return probabilities in the k-vicinity of each nucleotide represent physically meaningful descriptors. A linear discriminant function was developed and gave rise to excellent discrimination in 80.8% of interacting and footprinted nucleotides. The Jackknife method was employed to assess the stability and predictability of the model. On the other hand, a linear regression model predicted the local binding affinity constants between a specific nucleotide and the antibiotic (R(2)=0.91, Q(2)=0.86). These kinds of models could play an important role either in the discovery of new anti-HIV compounds or the study of their mode of action.

  15. Electro-Mechanical Modeling and Performance Analysis of Floating Wave Energy Converters Utilizing Yo-Yo Vibrating System

    International Nuclear Information System (INIS)

    Sim, Kyuho; Park, Jisu; Jang, Seon-Jun

    2015-01-01

    This paper proposes a floating-type wave energy conversion system that consists of a mechanical part (yo-yo vibrating system, motion rectifying system, and power transmission system) and electrical part (power generation system). The yo-yo vibrating system, which converts translational input to rotational motion, is modeled as a single degree-of-freedom system. It can amplify the wave input via the resonance phenomenon and enhance the energy conversion efficiency. The electromechanical model is established from impedance matching of the mechanical part to the electrical system. The performance was analyzed at various wave frequencies and damping ratios for a wave input acceleration of 0.14 g. The maximum output occurred at the resonance frequency and optimal load resistance, where the power conversion efficiency and electrical output power reached 48% and 290 W, respectively. Utilizing the resonance phenomenon was found to greatly enhance the performance of the wave energy converter, and there exists a maximum power point at the optimum load resistance

  16. Electro-Mechanical Modeling and Performance Analysis of Floating Wave Energy Converters Utilizing Yo-Yo Vibrating System

    Energy Technology Data Exchange (ETDEWEB)

    Sim, Kyuho; Park, Jisu [Seoul National University, Seoul (Korea, Republic of); Jang, Seon-Jun [Innovation KR, Seoul (Korea, Republic of)

    2015-01-15

    This paper proposes a floating-type wave energy conversion system that consists of a mechanical part (yo-yo vibrating system, motion rectifying system, and power transmission system) and electrical part (power generation system). The yo-yo vibrating system, which converts translational input to rotational motion, is modeled as a single degree-of-freedom system. It can amplify the wave input via the resonance phenomenon and enhance the energy conversion efficiency. The electromechanical model is established from impedance matching of the mechanical part to the electrical system. The performance was analyzed at various wave frequencies and damping ratios for a wave input acceleration of 0.14 g. The maximum output occurred at the resonance frequency and optimal load resistance, where the power conversion efficiency and electrical output power reached 48% and 290 W, respectively. Utilizing the resonance phenomenon was found to greatly enhance the performance of the wave energy converter, and there exists a maximum power point at the optimum load resistance.

  17. Experimental modeling of flow-induced vibration of multi-span U-tubes in a CANDU steam generator

    International Nuclear Information System (INIS)

    Mohany, A.; Feenstra, P.; Janzen, V.P.; Richard, R.

    2009-01-01

    Flow-induced vibration of the tubes in a nuclear steam generator is a concern for designers who are trying to increase the life span of these units. The dominant excitation mechanisms are fluidelastic instability and random turbulence excitation. The outermost U-bend region of the tubes is of greatest concern because the flow is almost perpendicular to the tube axis and the unsupported span is relatively long. The support system in this region must be well designed in order to minimize fretting wear of the tubes at the support locations. Much of the previous testing was conducted on straight single-span or cantilevered tubes in cross-flow. However, the dynamic response of steam generator multi-span U-tubes with clearance supports is expected to be different. Accurate modeling of the tube dynamics is important to properly simulate the dynamic interaction of the tube and supports. This paper describes a test program that was developed to measure the dynamic response of a bundle of steam generator U-tubes with Anti-Vibration Bar (AVB) supports, subjected to Freon two-phase cross-flow. The tube bundle has similar geometrical conditions to those expected for future CANDU steam generators. Future steam generators will be larger than previous CANDU steam generators, nearly twice the heat transfer area, with significant changes in process conditions in the U-bend region, such as increased steam quality and a broader range of flow velocities. This test program was initiated at AECL to demonstrate that the tube support design for future CANDU steam generators will meet the stringent requirements associated with a 60 year design life. The main objective of the tests is to address the issue of in-plane and out-of-plane fluidelastic instability and random turbulent excitation of a U-tube bundle with Anti-Vibration Bar (AVB) supports. Details of the test rig, measurement techniques and preliminary instrumentation results are described in the paper. (author)

  18. Dynamic modeling and vibration characteristics analysis of the aero-engine dual-rotor system with Fan blade out

    Science.gov (United States)

    Yu, Pingchao; Zhang, Dayi; Ma, Yanhong; Hong, Jie

    2018-06-01

    Fan Blade Out (FBO) from a running rotor of the turbofan engine will not only introduce the sudden unbalance and inertia asymmetry into the rotor, but also apply large impact load and induce rotor-to-stator rubbing on the rotor, which makes the mass, gyroscopic and stiffness matrixes of the dynamic equation become time-varying and highly nonlinear, consequently leads to the system's complicated vibration. The dynamic analysis of the aero-engine rotor system is one essential requirement of the authorities and is vital to the aero-engine's safety. The paper aims at studying the dynamic responses of the complicated dual-rotor systems at instantaneous and windmilling statuses when FBO event occurs. The physical process and mechanical characteristics of the FBO event are described qualitatively, based on which the dynamic modeling for an aero-engine dual-rotor system is carried out considering several excitations caused by FBO. Meanwhile the transient response during the instantaneous status and steady-state response at the windmilling status are obtained. The results reveal that the sudden unbalance can induce impact load to the rotor, and lead to the sharp increase of the vibration amplitude and reaction force. The rub-impact will apply constraint effects on the rotor and restrict the transient vibration amplitude, while the inertia asymmetry has little influence on the transient response. When the rotor with huge unbalance operates at windmilling status, the rub-impact turns to be the main factor determining the rotor's dynamic behavior, and several potential motion states, such as instable dry whip, intermittent rubbing and synchronous full annular rubbing would happen on certain conditions.

  19. Local vibrational modes of the water dimer - Comparison of theory and experiment

    Science.gov (United States)

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

    2012-12-01

    Local and normal vibrational modes of the water dimer are calculated at the CCSD(T)/CBS level of theory. The local H-bond stretching frequency is 528 cm-1 compared to a normal mode stretching frequency of just 143 cm-1. The adiabatic connection scheme between local and normal vibrational modes reveals that the lowering is due to mass coupling, a change in the anharmonicity, and coupling with the local HOH bending modes. The local mode stretching force constant is related to the strength of the H-bond whereas the normal mode stretching force constant and frequency lead to an erroneous underestimation of the H-bond strength.

  20. Scientific basis for modelling and calculation of acoustic vibrations in the nuclear power plant coolant

    Science.gov (United States)

    Proskuryakov, K. N.

    2017-11-01

    Created new scientific direction: “Diagnosis, prognosis and prevention of vibration - acoustic resonances in the nuclear power plant (NPP) equipment. The possibility of using methods for calculating and analyzing electric oscillation systems in the study of the properties of acoustic systems with a two-phase medium is proved, based on the similarity of the differential equations describing the state of these systems. Is shown that the developed methods can be used to predict and prevent the occurrence of vibration - acoustic resonances in the NPP equipment. Is shown that the volume of pressurizer at NPPs with VVER and PWR as well as boiling water reactor that exploded at Japan’s NPP Fukushima Daiichi is a Helmholtz resonator, which contain water and steam volumes and able many times increases the impact on them of outside periodic oscillations. Paper presents most important results published long before the severe accidents at NPPs Three Mile Island (TMI), Chernobyl and Fukushima Daiichi that could be used for the prediction of a severe accident scenario, identification of measuring data and process control in order to minimize the damage. Worked out results also could be useful in another industrial technologies based on applications of single and two-phase flows.

  1. Thz Spectroscopy and DFT Modeling of Intermolecular Vibrations in Hydrophobic Amino Acids

    Science.gov (United States)

    Williams, michael R. C.; Aschaffenburg, Daniel J.; Schmuttenmaer, Charles A.

    2013-06-01

    Vibrations that involve intermolecular displacements occur in molecular crystals at frequencies in the 0.5-5 THz range (˜15-165 cm^{-1}), and these motions are direct indicators of the interaction potential between the molecules. The intermolecular potential energy surface of crystalline hydrophobic amino acids is inherently interesting simply because of the wide variety of forces (electrostatic, dipole-dipole, hydrogen-bonding, van der Waals) that are present. Furthermore, an understanding of these particular interactions is immediately relevant to important topics like protein conformation and pharmaceutical polymorphism. We measured the low-frequency absorption spectra of several polycrystalline hydrophobic amino acids using THz time-domain spectroscopy, and in addition we carried out DFT calculations using periodic boundary conditions and an exchange-correlation functional that accounts for van der Waals dispersion forces. We chose to investigate a series of similar amino acids with closely analogous unit cells (leucine, isoleucine, and allo-isoleucine, in racemic or pseudo-racemic mixtures). This allows us to consider trends in the vibrational spectra as a function of small changes in molecular arrangement and/or crystal geometry. In this way, we gain confidence that peak assignments are not based on serendipitous similarities between calculated and observed features.

  2. Predicting Statistical Distributions of Footbridge Vibrations

    DEFF Research Database (Denmark)

    Pedersen, Lars; Frier, Christian

    2009-01-01

    The paper considers vibration response of footbridges to pedestrian loading. Employing Newmark and Monte Carlo simulation methods, a statistical distribution of bridge vibration levels is calculated modelling walking parameters such as step frequency and stride length as random variables...

  3. Generalized vibrating potential model for collective excitations in spherical, deformed and superdeformed systems: (1) atomic nuclei, (2) metal clusters

    International Nuclear Information System (INIS)

    Nesterenko, V.O.; Kleinig, W.

    1995-01-01

    The self-consistent vibrating potential model (VPM) is extended for description of Eλ collective excitations in atomic nuclei and metal clusters with practically any kind of static deformation. The model is convenient for a qualitative analysis and provides the RPA accuracy of numerical calculations. The VPM is applied to study Eλ giant resonances in spherical metal clusters and deformed and superdeformed nuclei. It is shown that the deformation splitting of superdeformed nuclei results in a very complicated (''jungle-like'') structure of the resonances, which makes the experimental observation of E2 and E3 giant resonances in superdeformed nuclei quite problematic. Calculations of E1 giant resonance in spherical sodium clusters Na 8 , Na 20 and Na 40 are presented, as a test of the VPM in this field. The results are in qualitative agreement with the experimental data. (orig.)

  4. 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

  5. Modeling and Characteristic Analysis of Wireless Ultrasonic Vibration Energy Transmission Channels through Planar and Curved Metal Barriers

    Directory of Open Access Journals (Sweden)

    DingXin Yang

    2018-01-01

    Full Text Available Wireless ultrasonic vibration energy transmission systems through metal barriers based on piezoelectric transducers have drawn a lot of focus due to the advantage of nonpenetration of the barriers, thus maintaining the integrity of sealed structures. It is meaningful to investigate appropriate modeling methods and to characterize such wireless ultrasonic energy transmission channels with different geometric shapes. In this paper, equivalent circuit modeling and finite element modeling methods are applied to the planar metal barrier channel, and a 3-dimensional finite element modeling method is applied to the cylindrical metallic barrier channel. Meanwhile, the experimental setup is established and measurements are carried out to validate the effectiveness of the corresponding modeling methods. The results show that Leach’s equivalent circuit modeling method and finite element modeling method are nearly similarly effective in characterizing the planar metal barrier channel. But for a cylindrical metal barrier, only the three-dimensional finite element modeling method is effective. Furthermore, we found that, for the planar barrier, the effect of standing waves on the efficiency of wireless energy transmission is dominated. But for the curved barrier, only the resonant phenomenon of the piezoelectric transducer exists.

  6. System-Level Coupled Modeling of Piezoelectric Vibration Energy Harvesting Systems by Joint Finite Element and Circuit Analysis

    Directory of Open Access Journals (Sweden)

    Congcong Cheng

    2016-01-01

    Full Text Available A practical piezoelectric vibration energy harvesting (PVEH system is usually composed of two coupled parts: a harvesting structure and an interface circuit. Thus, it is much necessary to build system-level coupled models for analyzing PVEH systems, so that the whole PVEH system can be optimized to obtain a high overall efficiency. In this paper, two classes of coupled models are proposed by joint finite element and circuit analysis. The first one is to integrate the equivalent circuit model of the harvesting structure with the interface circuit and the second one is to integrate the equivalent electrical impedance of the interface circuit into the finite element model of the harvesting structure. Then equivalent circuit model parameters of the harvesting structure are estimated by finite element analysis and the equivalent electrical impedance of the interface circuit is derived by circuit analysis. In the end, simulations are done to validate and compare the proposed two classes of system-level coupled models. The results demonstrate that harvested powers from the two classes of coupled models approximate to theoretic values. Thus, the proposed coupled models can be used for system-level optimizations in engineering applications.

  7. A computational model of pile vertical vibration in saturated soil based on the radial disturbed zone of pile driving

    International Nuclear Information System (INIS)

    Li Qiang; Shi Qian; Wang Kuihua

    2010-01-01

    In this study, a simplified computational model of pile vertical vibration was developed. The model was based on the inhomogeneous radial disturbed zone of soil in the vicinity of a pile disturbed by pile driving. The model contained two regions: the disturbed zone, which was located in the immediate vicinity of the pile, and the undisturbed region, external to the disturbed zone. In the model, excess pore pressure in the disturbed zone caused by pile driving was assumed to follow a logarithmic distribution. The relationships of stress and strain in the disturbed zone were based on the principle of effective stress under plain strain conditions. The external zone was governed by the poroelastic theory proposed by Biot. With the use of a variable separation method, an analytical solution in the frequency domain was obtained. Furthermore, a semi-analytical solution was attained by employing a numerical convolution method. Numerical results from the frequency and time domain indicated that the equivalent radius of the disturbed zone and the ratio of excess pore pressure had a significant effect on pile dynamic response. However, actual interactions between pile and soil will be weaker due to the presence of the radial disturbed zone, which is caused by pile driving. Consequently, the ideal undisturbed model overestimates the interaction between pile and soil; however, the proposed model reflects the interaction of pile and soil better than the perfect contact model. Numerical results indicate that the model can account for the time effect of pile dynamic tests.

  8. Spectra-structure correlations of saturated and unsaturated medium-chain fatty acids. Near-infrared and anharmonic DFT study of hexanoic acid and sorbic acid.

    Science.gov (United States)

    Grabska, Justyna; Beć, Krzysztof B; Ishigaki, Mika; Wójcik, Marek J; Ozaki, Yukihiro

    2017-10-05

    Quantum chemical reproduction of entire NIR spectra is a new trend, enabled by contemporary advances in the anharmonic approaches. At the same time, recent increase of the importance of NIR spectroscopy of biological samples raises high demand for gaining deeper understanding of NIR spectra of biomolecules, i.e. fatty acids. In this work we investigate saturated and unsaturated medium-chain fatty acids, hexanoic acid and sorbic acid, in the near-infrared region. By employing fully anharmonic density functional theory (DFT) calculations we reproduce the experimental NIR spectra of these systems, including the highly specific spectral features corresponding to the dimerization of fatty acids. Broad range of concentration levels from 5·10 -4 M in CCl 4 to pure samples are investigated. The major role of cyclic dimers can be evidenced for the vast majority of these samples. A highly specific NIR feature of fatty acids, the elevation of spectral baseline around 6500-4000cm -1 , is being explained by the contributions of combination bands resulting from the vibrations of hydrogen-bonded OH groups in the cyclic dimers. Based on the high agreement between the calculated and experimental NIR spectra, a detailed NIR band assignments are proposed for hexanoic acid and sorbic acid. Subsequently, the correlations between the structure and NIR spectra are elucidated, emphasizing the regions in which clear and universal traces of specific bands corresponding to saturated and unsaturated alkyl chains can be established, thus demonstrating the wavenumber regions highly valuable for structural identifications. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. Nonlinear nonlocal vibration of embedded DWCNT conveying fluid using shell model

    Energy Technology Data Exchange (ETDEWEB)

    Ghorbanpour Arani, A., E-mail: aghorban@kashanu.ac.ir [Faculty of Mechanical Engineering, University of Kashan, Kashan (Iran, Islamic Republic of); Institute of Nanoscience and Nanotechnology, University of Kashan, Kashan (Iran, Islamic Republic of); Zarei, M.Sh.; Amir, S.; Khoddami Maraghi, Z. [Faculty of Mechanical Engineering, University of Kashan, Kashan (Iran, Islamic Republic of)

    2013-02-01

    In this work nonlinear vibration of double-walled carbon nanotube (DWCNT) embedded in an elastic medium and subjected to an axial fluid flow (incompressible and non-viscose) is investigated. The elastic medium is simulated using Pasternak foundation in which adjacent layer interactions are assumed to have been coupled by van der Waals (VdW) force. The higher-order equation of motion is derived using Hamilton's principle and nonlocal-nonlinear shell theory. Galerkin and averaging methods are adopted to solve the higher-order governing equations. Elastic medium, small scale parameter, velocity and fluid density are taken into account to calculate the effects of axial and circumferential wave numbers in this study. Results reveal that increasing circumferential wave number, leads to enhanced nonlinearity. Critical flow velocities of DWCNT are inversely related to the non-local parameter (e{sub 0}a), so that increase in the later lead to reduced critical flow velocities.

  10. Modeling and experimental verification of doubly nonlinear magnet-coupled piezoelectric energy harvesting from ambient vibration

    International Nuclear Information System (INIS)

    Zhou, Shengxi; Cao, Junyi; Wang, Wei; Liu, Shengsheng; Lin, Jing

    2015-01-01

    This paper presents a nonlinear doubly magnet-coupled energy harvesting system (DMEHS) which could exhibit co-bistable and monostable dynamic characteristics. Its various characteristic responses induced by the magnetic force can be conveniently obtained using the adjustable horizontal distance between two coupled harvesters in the DMEHS. In the case of appropriate relative positions, the DMEHS appears in a co-bistable structure which is different from the traditional bistable structure. Additionally, both the inclination angle of endmost magnets and the displacement perpendicular to the vibration direction are taken into account to calculate the nonlinear magnetic force in the nonlinear electromechanical equations. The numerical investigations show good agreement with experimental results with respect to the output voltage response. Each harvester without magnetic coupling is tested independently to compare with the DMEHS. Both numerical and experimental results also demonstrate the frequency bandwidth and performance enhancements by changing the horizontal distance between the two coupled harvesters. (paper)

  11. The viscoelastic standard nonlinear solid model: predicting the response of the lumbar intervertebral disk to low-frequency vibrations.

    Science.gov (United States)

    Groth, Kevin M; Granata, Kevin P

    2008-06-01

    Due to the mathematical complexity of current musculoskeletal spine models, there is a need for computationally efficient models of the intervertebral disk (IVD). The aim of this study is to develop a mathematical model that will adequately describe the motion of the IVD under axial cyclic loading as well as maintain computational efficiency for use in future musculoskeletal spine models. Several studies have successfully modeled the creep characteristics of the IVD using the three-parameter viscoelastic standard linear solid (SLS) model. However, when the SLS model is subjected to cyclic loading, it underestimates the load relaxation, the cyclic modulus, and the hysteresis of the human lumbar IVD. A viscoelastic standard nonlinear solid (SNS) model was used to predict the response of the human lumbar IVD subjected to low-frequency vibration. Nonlinear behavior of the SNS model was simulated by a strain-dependent elastic modulus on the SLS model. Parameters of the SNS model were estimated from experimental load deformation and stress-relaxation curves obtained from the literature. The SNS model was able to predict the cyclic modulus of the IVD at frequencies of 0.01 Hz, 0.1 Hz, and 1 Hz. Furthermore, the SNS model was able to quantitatively predict the load relaxation at a frequency of 0.01 Hz. However, model performance was unsatisfactory when predicting load relaxation and hysteresis at higher frequencies (0.1 Hz and 1 Hz). The SLS model of the lumbar IVD may require strain-dependent elastic and viscous behavior to represent the dynamic response to compressive strain.

  12. Vibration and acoustic frequency spectra for industrial process modeling using selective fusion multi-condition samples and multi-source features

    Science.gov (United States)

    Tang, Jian; Qiao, Junfei; Wu, ZhiWei; Chai, Tianyou; Zhang, Jian; Yu, Wen

    2018-01-01

    Frequency spectral data of mechanical vibration and acoustic signals relate to difficult-to-measure production quality and quantity parameters of complex industrial processes. A selective ensemble (SEN) algorithm can be used to build a soft sensor model of these process parameters by fusing valued information selectively from different perspectives. However, a combination of several optimized ensemble sub-models with SEN cannot guarantee the best prediction model. In this study, we use several techniques to construct mechanical vibration and acoustic frequency spectra of a data-driven industrial process parameter model based on selective fusion multi-condition samples and multi-source features. Multi-layer SEN (MLSEN) strategy is used to simulate the domain expert cognitive process. Genetic algorithm and kernel partial least squares are used to construct the inside-layer SEN sub-model based on each mechanical vibration and acoustic frequency spectral feature subset. Branch-and-bound and adaptive weighted fusion algorithms are integrated to select and combine outputs of the inside-layer SEN sub-models. Then, the outside-layer SEN is constructed. Thus, "sub-sampling training examples"-based and "manipulating input features"-based ensemble construction methods are integrated, thereby realizing the selective information fusion process based on multi-condition history samples and multi-source input features. This novel approach is applied to a laboratory-scale ball mill grinding process. A comparison with other methods indicates that the proposed MLSEN approach effectively models mechanical vibration and acoustic signals.

  13. Vibration-Based Damage Diagnosis in a Laboratory Cable-Stayed Bridge Model via an RCP-ARX Model Based Method

    International Nuclear Information System (INIS)

    Michaelides, P G; Apostolellis, P G; Fassois, S D

    2011-01-01

    Vibration-based damage detection and identification in a laboratory cable-stayed bridge model is addressed under inherent, environmental, and experimental uncertainties. The problem is challenging as conventional stochastic methods face difficulties due to uncertainty underestimation. A novel method is formulated based on identified Random Coefficient Pooled ARX (RCP-ARX) representations of the dynamics and statistical hypothesis testing. The method benefits from the ability of RCP models in properly capturing uncertainty. Its effectiveness is demonstrated via a high number of experiments under a variety of damage scenarios.

  14. Vibration-Based Damage Diagnosis in a Laboratory Cable-Stayed Bridge Model via an RCP-ARX Model Based Method

    Energy Technology Data Exchange (ETDEWEB)

    Michaelides, P G; Apostolellis, P G; Fassois, S D, E-mail: mixail@mech.upatras.gr, E-mail: fassois@mech.upatras.gr [Laboratory for Stochastic Mechanical Systems and Automation (SMSA), Department of Mechanical and Aeronautical Engineering, University of Patras, GR 265 00 Patras (Greece)

    2011-07-19

    Vibration-based damage detection and identification in a laboratory cable-stayed bridge model is addressed under inherent, environmental, and experimental uncertainties. The problem is challenging as conventional stochastic methods face difficulties due to uncertainty underestimation. A novel method is formulated based on identified Random Coefficient Pooled ARX (RCP-ARX) representations of the dynamics and statistical hypothesis testing. The method benefits from the ability of RCP models in properly capturing uncertainty. Its effectiveness is demonstrated via a high number of experiments under a variety of damage scenarios.

  15. Vibrational interference effects in x-ray emission of a model water dimer: implications for the interpretation of the liquid spectrum.

    Science.gov (United States)

    Ljungberg, M P; Pettersson, L G M; Nilsson, A

    2011-01-28

    We apply the Kramers-Heisenberg formula to a model water dimer to discuss vibrational interference in the x-ray emission spectrum of the donor molecule for which the core-ionized potential energy surface is dissociative but bounded by the accepting molecule. A long core-hole lifetime leads to decay from Zundel-like, fully delocalized vibrational states in the intermediate potential without involvement of a specific dissociated component. Comparison is made to a model with an unbound intermediate state allowing dissociation to infinity which gives a sharp, fully dissociated feature, and a broad molecular peak at long core-hole life time. The implications of the vibrational interference effect on the liquid water spectrum are discussed and it is proposed that this mainly gives rise to an isotope-dependent asymmetrical broadening of the lone pair peak.

  16. Model-based design of active vibration compensation in the passenger car powertrain; Modellbasierte Auslegung der aktiven Schwingungskompensation im Kfz-Antriebsstrang

    Energy Technology Data Exchange (ETDEWEB)

    Quernheim, L.

    2008-07-01

    Modern passenger cars have increasingly higher driving torques while the rotary mass of the powertrain is reduced. This induces vibrations. Especially during load change operations, the driving comfort may therefore be impaired by jolting. To reduce these vibrations, the engine control unit has integrated control functions that influence the driving characteristics. Until now, these control functions were adjusted empirically by the application engineer during time-consuming test drives, but this option is failing as development times are getting shorter while there are increasing numbers of car lines. The author therefore presents a new option, i.e. optimisation of the comfort functions by means of model-based control unit design. The example of an active vibration damper is presented to illustrate this model-based procedure, and vehicle analyses were carried out with the intention to show that this method supports the application engineer in his work efficiently. (orig.)

  17. Apical Oxygen Anharmonicity Induced Spontaneous Polarization in YBa2Cu3O7

    International Nuclear Information System (INIS)

    Galabaatar, T.; Plakida, N.M.; Drechsler, S.-L.

    1995-01-01

    A model suggesting an asymmetric double-well form for the effective vibrational potential for the apical oxygen atoms in YBa 2 Cu 3 O 7 is formulated in the pseudo-spin representation and its phase diagram is studied. A set of parameters is found for which a spontaneous polarization may occur at a temperature close to the superconducting Tc, implying the possibility of formation of a ferroelectric state in the temperature region 90degK-250degK. (author)

  18. Structural equation modelling of lower back pain due to whole-body vibration exposure in the construction industry.

    Science.gov (United States)

    Vitharana, Vitharanage Hashini Paramitha; Chinda, Thanwadee

    2017-09-21

    Whole-body vibration (WBV) exposure is a health hazard among workers, causing lower back pain (LBP) in the construction industry. This study examines key factors affecting LBP due to WBV exposure using exploratory factor analysis and structural equation modelling. The results confirm five key factors (equipment, job related, organizational, personal, social context) with their 17 associated items. The organizational factor is found the most important, as it influences the other four factors. The results also show that appropriate seat type, specific training programme, job rotation, workers' satisfaction and workers' physical condition are crucial in reducing LBP due to WBV exposure. Moreover, provision of new machines without proper training and good working condition might not help reduce LBP due to WBV exposure. The results help the construction companies to better understand key factors affecting LBP due to WBV exposure, and to plan for a better health improvement programme.

  19. Application of the Modified Vlasov Model to the Free Vibration Analysis of Thick Plates Resting on Elastic Foundations

    Directory of Open Access Journals (Sweden)

    Korhan Ozgan

    2009-01-01

    Full Text Available The Modified Vlasov Model is applied to the free vibration analysis of thick plates resting on elastic foundations. The effects of the subsoil depth, plate dimensions and their ratio, the value of the vertical deformation parameter within the subsoil on the frequency parameters of plates on elastic foundations are investigated. A four-noded, twelve degrees of freedom quadrilateral finite element (PBQ4 is used for plate bending analysis based on Mindlin plate theory which is effectively applied to the analysis of thin and thick plates when selective reduced integration technique is used. The first ten natural frequency parameters are presented in tabular and graphical forms to show the effects of the parameters considered in the study. It is concluded that the effect of the subsoil depth on the frequency parameters of the plates on elastic foundation is generally larger than that of the other parameters considered in the study.

  20. Real-Time Spatial Monitoring of Vehicle Vibration Data as a Model for TeleGeoMonitoring Systems

    OpenAIRE

    Robidoux, Jeff

    2005-01-01

    This research presents the development and proof of concept of a TeleGeoMonitoring (TGM) system for spatially monitoring and analyzing, in real-time, data derived from vehicle-mounted sensors. In response to the concern for vibration related injuries experienced by equipment operators in surface mining and construction operations, the prototype TGM system focuses on spatially monitoring vehicle vibration in real-time. The TGM vibration system consists of 3 components: (1) Data Acquisition ...