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Sample records for vibration method electronic

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

    DEFF Research Database (Denmark)

    Pomogaev, Vladimir; Pomogaeva, Anna; Avramov, Pavel

    2011-01-01

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

  2. A method for the direct measurement of electronic site populations in a molecular aggregate using two-dimensional electronic-vibrational spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lewis, Nicholas H. C.; Dong, Hui; Oliver, Thomas A. A.; Fleming, Graham R., E-mail: grfleming@lbl.gov [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Kavli Energy Nanosciences Institute at Berkeley, Berkeley, California 94720 (United States)

    2015-09-28

    Two dimensional electronic spectroscopy has proved to be a valuable experimental technique to reveal electronic excitation dynamics in photosynthetic pigment-protein complexes, nanoscale semiconductors, organic photovoltaic materials, and many other types of systems. It does not, however, provide direct information concerning the spatial structure and dynamics of excitons. 2D infrared spectroscopy has become a widely used tool for studying structural dynamics but is incapable of directly providing information concerning electronic excited states. 2D electronic-vibrational (2DEV) spectroscopy provides a link between these domains, directly connecting the electronic excitation with the vibrational structure of the system under study. In this work, we derive response functions for the 2DEV spectrum of a molecular dimer and propose a method by which 2DEV spectra could be used to directly measure the electronic site populations as a function of time following the initial electronic excitation. We present results from the response function simulations which show that our proposed approach is substantially valid. This method provides, to our knowledge, the first direct experimental method for measuring the electronic excited state dynamics in the spatial domain, on the molecular scale.

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

    Science.gov (United States)

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

    2015-05-01

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

  4. Assessment of electron propagator methods for the simulation of vibrationally-resolved valence and core photoionization spectra

    Science.gov (United States)

    Baiardi, A.; Paoloni, L.; Barone, V.; Zakrzewski, V.G.; Ortiz, J.V.

    2017-01-01

    The analysis of photoelectron spectra is usually facilitated by quantum mechanical simulations. Due to the recent improvement of experimental techniques, the resolution of experimental spectra is rapidly increasing, and the inclusion of vibrational effects is usually mandatory to obtain a reliable reproduction of the spectra. With the aim of defining a robust computational protocol, a general time-independent formulation to compute different kinds of vibrationally-resolved electronic spectra has been generalized to support also photoelectron spectroscopy. The electronic structure data underlying the simulation are computed using different electron propagator approaches. In addition to the more standard approaches, a new and robust implementation of the second-order self-energy approximation of the electron propagator based on a transition operator reference (TOEP2) is presented. To validate our implementation, a series of molecules has been used as test cases. The result of the simulations shows that, for ultraviolet photoionization spectra, the more accurate non-diagonal approaches are needed to obtain a reliable reproduction of vertical ionization energies, but diagonal approaches are sufficient for energy gradients and pole strengths. For X-ray photoelectron spectroscopy, the TOEP2 approach, besides being more efficient, is also the most accurate in the reproduction of both vertical ionization energies and vibrationally-resolved bandshapes. PMID:28521087

  5. Vibration damping method and apparatus

    Science.gov (United States)

    Redmond, James M.; Barney, Patrick S.; Parker, Gordon G.; Smith, David A.

    1999-01-01

    The present invention provides vibration damping method and apparatus that can damp vibration in more than one direction without requiring disassembly, that can accommodate varying tool dimensions without requiring re-tuning, and that does not interfere with tool tip operations and cooling. The present invention provides active dampening by generating bending moments internal to a structure such as a boring bar to dampen vibration thereof.

  6. Analysis of methods for calculating the transition frequencies of the torsional vibration of acrolein isomers in the ground ( S 0) electronic state

    Science.gov (United States)

    Koroleva, L. A.; Tyulin, V. I.; Matveev, V. K.; Pentin, Yu. A.

    2013-05-01

    B3LYP, MP2, CCSD(T), and MP4/MP2 in the 6-311G( d, p), 6-311++G( d, p), cc-pVTZ, aug-cc-pVTZ bases used to calculate the transition frequencies of torsional vibration of trans- and cis-isomers of acrolein in the ground electronic state ( S 0) are analyzed. It is found that for trans-isomers, all methods of calculation except for B3LYP in the cc-pVTZ basis yield good agreement between the calculated and experimental values. It is noted that for the cis-isomer of acrolein, no method of calculation confirms the experimental value of the frequency of torsional vibration (138 cm-1). It is shown that the calculated and experimental values for obertones at 273.0 cm-1 and other transitions of torsional vibration are different for this isomer in particular. However, it is established that in some calculation methods (B3LYP, MP2), the frequency of the torsional vibration of the cis-isomer coincides with another experimental value of this frequency (166.5 cm-1). It is concluded that in analyzing the vibrational structure of the UV spectrum, the calculated and experimental values of its obertone (331.3 cm-1) coincide, along with its frequency. It is also noted that the frequency of torsional vibration for the cis-isomer (166.5 cm-1) can also be found in other experimental works if we change the allocation of torsional transition 18{1/1}.

  7. Vibrational spectroscopy in the electron microscope.

    Science.gov (United States)

    Krivanek, Ondrej L; Lovejoy, Tracy C; Dellby, Niklas; Aoki, Toshihiro; Carpenter, R W; Rez, Peter; Soignard, Emmanuel; Zhu, Jiangtao; Batson, Philip E; Lagos, Maureen J; Egerton, Ray F; Crozier, Peter A

    2014-10-09

    Vibrational spectroscopies using infrared radiation, Raman scattering, neutrons, low-energy electrons and inelastic electron tunnelling are powerful techniques that can analyse bonding arrangements, identify chemical compounds and probe many other important properties of materials. The spatial resolution of these spectroscopies is typically one micrometre or more, although it can reach a few tens of nanometres or even a few ångströms when enhanced by the presence of a sharp metallic tip. If vibrational spectroscopy could be combined with the spatial resolution and flexibility of the transmission electron microscope, it would open up the study of vibrational modes in many different types of nanostructures. Unfortunately, the energy resolution of electron energy loss spectroscopy performed in the electron microscope has until now been too poor to allow such a combination. Recent developments that have improved the attainable energy resolution of electron energy loss spectroscopy in a scanning transmission electron microscope to around ten millielectronvolts now allow vibrational spectroscopy to be carried out in the electron microscope. Here we describe the innovations responsible for the progress, and present examples of applications in inorganic and organic materials, including the detection of hydrogen. We also demonstrate that the vibrational signal has both high- and low-spatial-resolution components, that the first component can be used to map vibrational features at nanometre-level resolution, and that the second component can be used for analysis carried out with the beam positioned just outside the sample--that is, for 'aloof' spectroscopy that largely avoids radiation damage.

  8. Two-dimensional vibrational-electronic spectroscopy

    Science.gov (United States)

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

    2015-10-01

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

  9. Two-dimensional vibrational-electronic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Courtney, Trevor L.; Fox, Zachary W.; Slenkamp, Karla M.; Khalil, Munira, E-mail: mkhalil@uw.edu [Department of Chemistry, University of Washington, Box 351700, Seattle, Washington 98195 (United States)

    2015-10-21

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

  10. Electronic Rydberg wavepacket effects on molecular vibration

    International Nuclear Information System (INIS)

    Hughes, I.G.; Meacher, D.R.

    1994-01-01

    Electronic wavepacket states of molecular hydrogen are considered which represent the situation of a spectator electron orbiting a molecular core. A quantum defect theory approach is used to determine the energy level structure, wavefunctions and molecular potentials, which is valid in regions where the quantum defects approach zero. In such a region the orbital motion of the wavepacket leads to a periodic variation in the molecular vibration frequency of the order of 100 cm -1 . Possible detection schemes are discussed. (author)

  11. Vibrationally coupled electron transport through single-molecule junctions

    Energy Technology Data Exchange (ETDEWEB)

    Haertle, Rainer

    2012-04-26

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

  12. Superconducting electron tunneling as detection method for low frequency resonant vibration modes of interstitials in fcc lead

    International Nuclear Information System (INIS)

    Adrian, H.

    1981-01-01

    The influence of crystal defects on the phonon spectra was studied for fcc lead using superconducting tunneling spectroscopy. The theory predicts low frequency modes for the vibrational states of interstitials in (100) dumbbell configuration. Low temperature irradiation of superconducting point contacts with fast ions (point contact thickness small compared to the average ion range) showed radiation-induced structures in the low-energy part of the Eliashberg function for lead. These resonant modes are reduced by annealing at 18.5 K; they are attributed to small interstitial clusters. The radiation-induced structures are completely removed by room temperature annealing. (orig.)

  13. Determining the static electronic and vibrational energy correlations via two-dimensional electronic-vibrational spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Hui; Lewis, Nicholas H. C.; Oliver, Thomas A. A.; Fleming, Graham R., E-mail: grfleming@lbl.gov [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, Californial 94720 (United States); Kavli Energy NanoSciences Institute at Berkeley, Berkeley, California 94720 (United States)

    2015-05-07

    Changes in the electronic structure of pigments in protein environments and of polar molecules in solution inevitably induce a re-adaption of molecular nuclear structure. Both changes of electronic and vibrational energies can be probed with visible or infrared lasers, such as two-dimensional electronic spectroscopy or vibrational spectroscopy. The extent to which the two changes are correlated remains elusive. The recent demonstration of two-dimensional electronic-vibrational (2DEV) spectroscopy potentially enables a direct measurement of this correlation experimentally. However, it has hitherto been unclear how to characterize the correlation from the spectra. In this paper, we present a theoretical formalism to demonstrate the slope of the nodal line between the excited state absorption and ground state bleach peaks in the spectra as a characterization of the correlation between electronic and vibrational transition energies. We also show the dynamics of the nodal line slope is correlated to the vibrational spectral dynamics. Additionally, we demonstrate the fundamental 2DEV spectral line-shape of a monomer with newly developed response functions.

  14. Vibrational frame transformation for electron-molecule scattering

    International Nuclear Information System (INIS)

    Greene, C.H.; Jungen, C.

    1985-01-01

    The frame-transformation theory of electron interaction with a vibrating diatomic core is extended to allow for energy dependence of its parameters. The Born-Oppenheimer separation of electron and nuclear motion is preserved when the electron penetrates the molecular core. The extended theory reproduces the boomerang-model treatment of vibrational excitation in resonant e-N 2 collisions

  15. Vibrational analysis of a shipboard free electron laser beam path

    OpenAIRE

    Gallant, Bryan M.

    2011-01-01

    This thesis explores the deployment of a free electron laser (FEL) weapon system in a shipboard vibration environment. A concept solid model of a shipboard FEL is developed and used as a basis for a finite element model which is subjected to vibration simulation in MATLAB. Vibration input is obtained from ship shock trials data and wave excited motion data from ship motion simulation software. Emphasis is placed on the motion of electron beam path components of the FEL and the feasibility of ...

  16. Blasting vibrations control: The shortcomings of traditional methods

    Energy Technology Data Exchange (ETDEWEB)

    Vuillaume, P.M.; Kiszlo, M. [Institut National de l`Environnement Industriel et des Risques, Verneuil en Halatte (France); Bernard, T. [Compagnie Nouvelle de Scientifiques, Nice (France)

    1996-12-31

    In the context of its studies for the French ministry of the environment and for the French national coal board, INERIS (the French institute for the industrial environment and hazards, formerly CERCHAR) has made a complete critical survey of the methods generally used to reduce the levels of blasting vibrations. It is generally acknowledged that the main parameter to control vibrations is the so-called instantaneous charge, or charge per delay. This should be reduced as much as possible in order to diminish vibration levels. On account of this, the use of a new generation of blasting devices, such as non-electric detonators or electronic sequential timers has been developed since the seventies. INERIS has collected data from about 900 blasts in 2 quarries and 3 open pit mines. These data include input parameters such as borehole diameter, burden, spacing, charge per hole, charge per delay, total fired charge, etc ... They also include output measurements, such as vibration peak particle velocities, and main frequencies. These data have been analyzed with the help of multi variable statistical tools. Blasting tests were undertaken to evaluate new methods of vibrations control, such as the superposition of vibration signals. These methods appear to be accurate in many critical cases, but certainly would be highly improved with a better accuracy of firing delays. The development of electronic detonators seems to be the way of the future for a better blasting control.

  17. 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...

  18. Vibrational excitations in molecular layers probed by ballistic electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kajen, Rasanayagam Sivasayan; Chandrasekhar, Natarajan [Institute of Materials Research and Engineering, 3 Research Link, 117602 (Singapore); Feng Xinliang; Muellen, Klaus [Max-Planck-Institut fuer Polymerforschung, Postfach 3148, D-55021 Mainz (Germany); Su Haibin, E-mail: n-chandra@imre.a-star.edu.sg, E-mail: muellen@mpip-mainz.mpg.de, E-mail: hbsu@ntu.edu.sg [Division of Materials Science, Nanyang Technological University, 50 Nanyang Avenue, 639798 (Singapore)

    2011-10-28

    We demonstrate the information on molecular vibrational modes via the second derivative (d{sup 2}I{sub B}/dV{sup 2}) of the ballistic electron emission spectroscopy (BEES) current. The proposed method does not create huge fields as in the case of conventional derivative spectroscopy and maintains a zero bias across the device. BEES studies carried out on three different types of large polycyclic aromatic hydrocarbon (PAH) molecular layers show that the d{sup 2}I{sub B}/dV{sup 2} spectra consist of uniformly spaced peaks corresponding to vibronic excitations. The peak spacing is found to be identical for molecules within the same PAH family though the BEES onset voltage varies for different molecules. In addition, injection into a particular orbital appears to correspond to a specific vibrational mode as the manifestation of the symmetry principle.

  19. Vibrationally Assisted Electron Transfer Mechanism of Olfaction: Myth or Reality?

    DEFF Research Database (Denmark)

    Solov'yov, Ilia; Chang, Po-Yao; Schulten, Klaus

    2012-01-01

    to this suggestion an olfactory receptor is activated by electron transfer assisted through odorant vibrational excitation. The hundreds to thousands of different olfactory receptors in an animal recognize odorants over a discriminant landscape with surface properties and vibrational frequencies as the two major...... dimensions. In the present paper we introduce the vibrationally assisted mechanism of olfaction and demonstrate for several odorants that, indeed, a strong enhancement of an electron tunneling rate due to odorant vibrations can arise. We discuss in this regard the influence of odorant deuteration and explain...... olfactory receptors and odorants must obey for the vibrationally assisted electron transfer mechanism to function. We argue that the stated characteristics are feasible for realistic olfactory receptors, noting, though, that the receptor structure presently is still unknown, but can be studied through...

  20. Vibrational and electronic spectroscopic studies of melatonin

    Science.gov (United States)

    Singh, Gurpreet; Abbas, J. M.; Dogra, Sukh Dev; Sachdeva, Ritika; Rai, Bimal; Tripathi, S. K.; Prakash, Satya; Sathe, Vasant; Saini, G. S. S.

    2014-01-01

    We report the infrared absorption and Raman spectra of melatonin recorded with 488 and 632.8 nm excitations in 3600-2700 and 1700-70 cm-1 regions. Further, we optimized molecular structure of the three conformers of melatonin within density functional theory calculations. Vibrational frequencies of all three conformers have also been calculated. Observed vibrational bands have been assigned to different vibrational motions of the molecules on the basis of potential energy distribution calculations and calculated vibrational frequencies. Observed band positions match well with the calculated values after scaling except Nsbnd H stretching mode frequencies. It is found that the observed and calculated frequencies mismatch of Nsbnd H stretching is due to intermolecular interactions between melatonin molecules.

  1. Method and apparatus for vibrating a substrate during material formation

    Science.gov (United States)

    Bailey, Jeffrey A [Richland, WA; Roger, Johnson N [Richland, WA; John, Munley T [Benton City, WA; Walter, Park R [Benton City, WA

    2008-10-21

    A method and apparatus for affecting the properties of a material include vibrating the material during its formation (i.e., "surface sifting"). The method includes the steps of providing a material formation device and applying a plurality of vibrations to the material during formation, which vibrations are oscillations having dissimilar, non-harmonic frequencies and at least two different directions. The apparatus includes a plurality of vibration sources that impart vibrations to the material.

  2. The role of electron-impact vibrational excitation in electron transport through gaseous tetrahydrofuran

    Energy Technology Data Exchange (ETDEWEB)

    Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Do, T. P. T. [School of Education, Can Tho University, Campus II, 3/2 Street, Xuan Khanh, Ninh Kieu, Can Tho City (Viet Nam); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Konovalov, D. A.; White, R. D. [College of Science, Technology and Engineering, James Cook University, Townsville (Australia); Brunger, M. J., E-mail: michael.brunger@flinders.edu.au, E-mail: darryl.jones@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia); Jones, D. B., E-mail: michael.brunger@flinders.edu.au, E-mail: darryl.jones@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia)

    2015-03-28

    In this paper, we report newly derived integral cross sections (ICSs) for electron impact vibrational excitation of tetrahydrofuran (THF) at intermediate impact energies. These cross sections extend the currently available data from 20 to 50 eV. Further, they indicate that the previously recommended THF ICS set [Garland et al., Phys. Rev. A 88, 062712 (2013)] underestimated the strength of the electron-impact vibrational excitation processes. Thus, that recommended vibrational cross section set is revised to address those deficiencies. Electron swarm transport properties were calculated with the amended vibrational cross section set, to quantify the role of electron-driven vibrational excitation in describing the macroscopic swarm phenomena. Here, significant differences of up to 17% in the transport coefficients were observed between the calculations performed using the original and revised cross section sets for vibrational excitation.

  3. A study of vibrational relaxation of electronically-excited molecules

    International Nuclear Information System (INIS)

    Datsyuk, V.V.; Izmailov, I.A.; Kochelap, V.A.

    1992-09-01

    The time kinetics of the vibrational relaxation of excimers is studied in the diffusional approximation. Simple formulae for functions of nonstationary vibrational distribution are found for the electronically excited molecules. Some spectral-kinetic dependencies of the excimer luminescence are explained in a new way. The possibilities of the determination of excimer parameters are discussed. The dependence of energetical characteristics of excimer lasers on these parameters is particularly emphasized. (author). 22 refs, 5 figs

  4. Leak detection by vibrational diagnostic methods

    International Nuclear Information System (INIS)

    Siklossy, P.

    1983-01-01

    The possibilities and methods of leak detection due to mechanical failures in nuclear power plants are reviewed on the basis of the literature. Great importance is attributed to vibrational diagnostic methods for their adventageous characteristics which enable them to become final leak detecting methods. The problems of noise analysis, e.g. leak detection by impact sound measurements, probe characteristics, gain problems, probe selection, off-line analysis and correlation functions, types of leak noises etc. are summarized. Leak detection based on noise analysis can be installed additionally to power plants. Its maintenance and testing is simple. On the other hand, it requires special training and measuring methods. (Sz.J.)

  5. Vibrational Spectroscopic Studies of Tenofovir Using Density Functional Theory Method

    Directory of Open Access Journals (Sweden)

    G. R. Ramkumaar

    2013-01-01

    Full Text Available A systematic vibrational spectroscopic assignment and analysis of tenofovir has been carried out by using FTIR and FT-Raman spectral data. The vibrational analysis was aided by electronic structure calculations—hybrid density functional methods (B3LYP/6-311++G(d,p, B3LYP/6-31G(d,p, and B3PW91/6-31G(d,p. Molecular equilibrium geometries, electronic energies, IR intensities, and harmonic vibrational frequencies have been computed. The assignments proposed based on the experimental IR and Raman spectra have been reviewed and complete assignment of the observed spectra have been proposed. UV-visible spectrum of the compound was also recorded and the electronic properties such as HOMO and LUMO energies and were determined by time-dependent DFT (TD-DFT method. The geometrical, thermodynamical parameters, and absorption wavelengths were compared with the experimental data. The B3LYP/6-311++G(d,p-, B3LYP/6-31G(d,p-, and B3PW91/6-31G(d,p-based NMR calculation procedure was also done. It was used to assign the 13C and 1H NMR chemical shift of tenofovir.

  6. Resonance tunneling electron-vibrational spectroscopy of polyoxometalates.

    Science.gov (United States)

    Dalidchik, F I; Kovalevskii, S A; Balashov, E M

    2017-05-21

    The tunneling spectra of the ordered monolayer films of decamolybdodicobaltate (DMDC) compounds deposited from aqueous solutions on HOPG were measured by scanning tunnel microscopy in air. The DMDC spectra, as well as the tunneling spectra of other polyoxometalates (POMs), exhibit well-defined negative differential resistances (NDRs). The mechanism of formation of these spectral features was established from the collection of revealed NDR dependences on the external varying parameters and found to be common to all systems exhibiting Wannier-Stark localization. A model of biresonance tunneling was developed to provide an explanation for the totality of experimental data, both the literature and original, on the tunneling POM probing. A variant of the tunneling electron-vibrational POM spectroscopy was proposed allowing the determination of the three basic energy parameters-energy gaps between the occupied and unoccupied states, frequencies of the vibrational transitions accompanying biresonance electron-tunneling processes, and electron-vibrational interaction constants on the monomolecular level.

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

    Science.gov (United States)

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

    2006-04-20

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

  8. Substituent influence on the structural, vibrational and electronic properties of 2,5-dihydrothiophene-1,1-dioxide by experimental and DFT methods.

    Science.gov (United States)

    Arjunan, V; Thirunarayanan, S; Durga Devi, G; Mohan, S

    2015-11-05

    Spectroscopic and theoretical quantum chemical studies of 2,5-dihydrothiophene-1,1-dioxide and 3-methyl-2,5-dihydrothiophene-1,1-dioxide have been carried out by FTIR and FT-Raman spectral techniques along with B3LYP methods. The geometry of the compounds have been optimised by B3LYP method with 6-311++G(∗∗) and cc-pVTZ basis sets. The geometrical parameters obtained at B3LYP levels have been compared with the experimental values. Molecular electrostatic potential surface, total electron density distribution and frontier molecular orbital are constructed at B3LYP/cc-pVTZ level to understand the electronic properties. The charge density distribution and sites of chemical reactivity of the molecules have been obtained by mapping electron density isosurface with electrostatic potential surfaces. Natural bond orbital analysis of the molecules are carried out and the occupancies and the atomic hybrid contributions are calculated. Copyright © 2015 Elsevier B.V. All rights reserved.

  9. Evaluation methods of vibration stress of small bore piping

    Energy Technology Data Exchange (ETDEWEB)

    Hiramatsu, Miki; Sasaki, Toru [Institute of Nuclear Safety System Inc., Mihama, Fukui (Japan)

    2001-09-01

    Fatigue fracture by vibration stress is one of the main causes of troubles which occur at small bore piping in nuclear power plants. Therefore at the plants they manage small bore piping using a method in which their vibration accelerations are measured and the vibration stresses are calculated. In this work, vibration tests for two sets of mock-ups simulating actual piping in the plants by sinusoidal oscillation and by that obtained at an actual plant were carried out, and then an evaluation method was developed to obtain proper value of vibration stress from the measured data by the vibration tests. In comparison of the vibration stress obtained from the measured acceleration with that directly measured using strain gauges, it is confirmed that accurate vibration stress can be evaluated by a formula in which the real center of gravity of small bore piping and the acceleration of main (system) piping are considered. (author)

  10. Vibrational, atomical and electronic relaxation in a nitrogen plasma jet

    International Nuclear Information System (INIS)

    Asselin, P.; Dudeck, M.

    1994-07-01

    This is a simplified approach of the characterization of a plasma stationary flow in chemical and electronic disequilibrium conditions by Navier-Stokes equations. The INCA code (AMTEC, USA) is a three-dimensional monolithic calculation code. A computer program for a mono-dimensional evolution of the formed species concentrations in a nitrogen plasma, including conservative equations of vibrational and electronic energies in order to deduce the corresponding temperature profiles. (A.B.). 14 refs., 17 figs., 2 tabs

  11. Effect of room temperature lattice vibration on the electron transport in graphene nanoribbons

    Science.gov (United States)

    Liu, Yue-Yang; Li, Bo-Lin; Chen, Shi-Zhang; Jiang, Xiangwei; Chen, Ke-Qiu

    2017-09-01

    We observe directly the lattice vibration and its multifold effect on electron transport in zigzag graphene nanoribbons in simulation by utilizing an efficient combined method. The results show that the electron transport fluctuates greatly due to the incessant lattice vibration of the nanoribbons. More interestingly, the lattice vibration behaves like a double-edged sword that it boosts the conductance of symmetric zigzag nanoribbons (containing an even number of zigzag chains along the width direction) while weakens the conductance of asymmetric nanoribbons. As a result, the reported large disparity between the conductances of the two kinds of nanoribbons at 0 K is in fact much smaller at room temperature (300 K). We also find that the spin filter effect that exists in perfect two-dimensional symmetric zigzag graphene nanoribbons is destroyed to some extent by lattice vibrations. Since lattice vibrations or phonons are usually inevitable in experiments, the research is very meaningful for revealing the important role of lattice vibrations play in the electron transport properties of two-dimensional materials and guiding the application of ZGNRs in reality.

  12. Vibration Suppression of Electronic Box by a Dual Function Piezoelectric Energy Harvester-Tuned Vibration Absorber

    Directory of Open Access Journals (Sweden)

    Sajid Rafique

    2014-04-01

    Full Text Available Over the past few years, remarkable developments in piezoelectric materials have motivated many researchers to work in the field of vibration energy harvesting by using piezoelectric beam like smart structures. This paper aimed to present the most recent application of a dual function piezoelectric device which can suppress vibration and harvest vibration energy simultaneously and a brief illustration of conventional mechanical and electrical TVAs (Tuned Vibration Absorber. It is shown that the proposed dual function device combines the benefits of conventional mechanical and electrical TVAs and reduces their relative disadvantages. Conversion of mechanical energy into electrical energy introduces damping and, hence, the optimal damping required by this TVA is generated by the energy harvesting effects. This paper presents the methodology of implementing the theory of 'electromechanical' TVAs to suppress the response of any real world structure. The work also illustrates the prospect of extensive applications of such novel "electromechanical" TVAs in defence and industry. The results show that the optimum degree of vibration suppression of an electronic box is achieved by this dual function TVA through suitable tuning of the attached electrical circuitry

  13. Vibration suppression of electronic box by a dual function piezoelectric energy harvester-tuned vibration absorber

    International Nuclear Information System (INIS)

    Rafique, S.; Shah, S.

    2014-01-01

    Over the past few years, remarkable developments in piezoelectric materials have motivated many researchers to work in the field of vibration energy harvesting by using piezoelectric beam like smart structures. This paper aimed to present the most recent application of a dual function piezoelectric device which can suppress vibration and harvest vibration energy simultaneously and a brief illustration of conventional mechanical and electrical TVAs (Tuned Vibration Absorber). It is shown that the proposed dual function device combines the benefits of conventional mechanical and electrical TVAs and reduces their relative disadvantages. Conversion of mechanical energy into electrical energy introduces damping and, hence, the optimal damping required by this TVA is generated by the energy harvesting effects. This paper presents the methodology of implementing the theory of electromechanical TVAs to suppress the response of any real world structure. The work also illustrates the prospect of extensive applications of such novel electromechanical TVAs in defence and industry. The results show that the optimum degree of vibration suppression of an electronic box is achieved by this dual function TVA through suitable tuning of the attached electrical circuitry. (author)

  14. 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

  15. Reactor internals vibration monitoring by neutron noise methods in PWRs

    International Nuclear Information System (INIS)

    Pazsit, I.; Por, G.; Lux, I.

    1983-01-01

    Certain elements of PWR cores such as control/fuel rods or cassettes, or other parts of reactor internals, often represent a vibration problem. Early analyses at operating PWR plant revealed that these vibrations can be detected by in-core neutron detectors, opening up the possibility of vibration monitoring and diagnostics by noise methods. Theoretical methods of calculating vibration induced neutron noise and its application to vibration diagnostics are summarized. Experiments to check theoretical conclusions are under way at the Central Research Institute for Physics, Budapest. (author)

  16. Sensibility to Changes of Vibrational Modes of Excited Electron: Sum Frequency Signals Versus Difference Frequency Signals

    International Nuclear Information System (INIS)

    Gu Anna; Liang Xianting

    2011-01-01

    In this paper, we investigate a two electronic level system with vibrational modes coupled to a Brownian oscillator bath. The difference frequency generation (DFG) signals and sum frequency generation (SFG) signals are calculated. It is shown that, for the same model, the SFG signals are more sensitive than the DFG signals to the changes of the vibrational modes of the electronic two-level system. Because the SFG conversion efficiency can be improved by using the time-delay method, the findings in this paper predict that the SFG spectrum may probe the changes of the microstructure more effectively. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  17. Analysis of Vibration Diagnostics Methods for Induction Motors

    Directory of Open Access Journals (Sweden)

    A. P. Kalinov

    2012-01-01

    Full Text Available The paper presents an analysis of existing vibration diagnostics methods. In order to evaluate an efficiency of method application the following criteria have been proposed: volume of input data required for establishing diagnosis, data content, software and hardware level, execution time for vibration diagnostics. According to the mentioned criteria a classification of vibration diagnostics methods for determination of their advantages and disadvantages, search for their development and improvement has been presented in paper. The paper contains a comparative estimation of methods in accordance with the proposed  criteria. According to this estimation the most efficient methods are a spectral analysis and spectral analysis of the vibration signal envelope.

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

    Science.gov (United States)

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

    2004-02-17

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

  19. Apparatus and method for vibrating a casing string during cementing

    International Nuclear Information System (INIS)

    Rankin, R.E.; Rankin, K.T.

    1992-01-01

    This patent describes a method of cementing a string of casing in a well. It comprises: securing a vibrating device into the string of casing near the lower end of the string of casing; lowering the string of casing into the well to the desired depth; pumping a cement slurry down the string of casing; causing a portion of the cement slurry being pumped down the string of casing to vibrate the vibrating device; and wherein the vibrating device is secured in the string of casing by cementing the vibrating device within a sub, then securing the sub into the string of casing prior to lowering the string of casing into the well

  20. Vibrational excitation of D2 by low energy electrons

    International Nuclear Information System (INIS)

    Buckman, S.J.; Phelps, A.V.

    1985-01-01

    Excitation coefficients for the production of vibrationally exicted D 2 by low energy electrons have been determined from measurements of the intensity of infrared emission from mixtures of D 2 and small concentrations of CO 2 or CO. The measurements were made using the electron drift tube technique and covered electric field to gas density ratios (E/n) from (5 to 80) x 10 -21 V m 2 , corresponding to mean electron energies between 0.45 and 4.5 eV. The CO 2 and CO concentrations were chosen to allow efficient excitation transfer from the D 2 to the carbon containing molecule, but to minimize direct excitation of the CO 2 or CO. The measured infrared intensities were normalized to predicted values for N 2 --CO 2 and N 2 --CO mixtures at E/n where the efficiency of vibrational excitation is known to be very close to 100%. The experimental excitation coefficients are in satisfactory agreement with predictions based on electron--D 2 cross sections at mean electron energies below 1 eV, but are about 50% too high at mean energies above about 2 eV. Application of the technique to H 2 did not yield useful vibrational excitation coefficients. The effective coefficients in H 2 --CO 2 mixtures were a factor of about 3 times the predicted values. For our H 2 --CO mixtures the excitation of CO via excitation transfer from H 2 is small compared to direct electron excitation of CO molecules. Published experiments and theories on electron--H 2 and electron--D 2 collisions are reviewed to obtain the cross sections used in the predictions

  1. Electronic energy transfer through non-adiabatic vibrational-electronic resonance. II. 1D spectra for a dimer

    Science.gov (United States)

    Tiwari, Vivek; Jonas, David M.

    2018-02-01

    Vibrational-electronic resonance in photosynthetic pigment-protein complexes invalidates Förster's adiabatic framework for interpreting spectra and energy transfer, thus complicating determination of how the surrounding protein affects pigment properties. This paper considers the combined effects of vibrational-electronic resonance and inhomogeneous variations in the electronic excitation energies of pigments at different sites on absorption, emission, circular dichroism, and hole-burning spectra for a non-degenerate homodimer. The non-degenerate homodimer has identical pigments in different sites that generate differences in electronic energies, with parameters loosely based on bacteriochlorophyll a pigments in the Fenna-Matthews-Olson antenna protein. To explain the intensity borrowing, the excited state vibrational-electronic eigenvectors are discussed in terms of the vibrational basis localized on the individual pigments, as well as the correlated/anti-correlated vibrational basis delocalized over both pigments. Compared to those in the isolated pigment, vibrational satellites for the correlated vibration have the same frequency and precisely a factor of 2 intensity reduction through vibrational delocalization in both absorption and emission. Vibrational satellites for anti-correlated vibrations have their relaxed emission intensity reduced by over a factor 2 through vibrational and excitonic delocalization. In absorption, anti-correlated vibrational satellites borrow excitonic intensity but can be broadened away by the combination of vibronic resonance and site inhomogeneity; in parallel, their vibronically resonant excitonic partners are also broadened away. These considerations are consistent with photosynthetic antenna hole-burning spectra, where sharp vibrational and excitonic satellites are absent. Vibrational-excitonic resonance barely alters the inhomogeneously broadened linear absorption, emission, and circular dichroism spectra from those for a

  2. THz-SAR Vibrating Target Imaging via the Bayesian Method

    Directory of Open Access Journals (Sweden)

    Bin Deng

    2017-01-01

    Full Text Available Target vibration bears important information for target recognition, and terahertz, due to significant micro-Doppler effects, has strong advantages for remotely sensing vibrations. In this paper, the imaging characteristics of vibrating targets with THz-SAR are at first analyzed. An improved algorithm based on an excellent Bayesian approach, that is, the expansion-compression variance-component (ExCoV method, has been proposed for reconstructing scattering coefficients of vibrating targets, which provides more robust and efficient initialization and overcomes the deficiencies of sidelobes as well as artifacts arising from the traditional correlation method. A real vibration measurement experiment of idle cars was performed to validate the range model. Simulated SAR data of vibrating targets and a tank model in a real background in 220 GHz show good performance at low SNR. Rapidly evolving high-power terahertz devices will offer viable THz-SAR application at a distance of several kilometers.

  3. Electronic and vibrational hopping transport in boron carbides

    International Nuclear Information System (INIS)

    Emin, D.

    1991-01-01

    General concepts of hopping-type transport and localization are reviewed. Disorder, electronic correlations and atomic displacements, effects ignored in electronic band structure calculations, foster localization of electronic charge carriers. Examples are given that illustrate the efficacy of these effects in producing localization. This introduction is followed by a brief discussion of the relation between hopping-type transport and localization. The fundamentals of the formation, localization, and hopping transport of small polarons and/or bipolarons is then described. Electronic transport in boron carbides is presented as an example of the adiabatic hopping of small bipolarons. Finally, the notion of vibrational hopping is introduced. The high-temperature thermal diffusion in boron carbides is presented as a potential application of this idea

  4. Electronic and vibrational circular dichroism spectra of (R)-(-)-apomorphine

    Energy Technology Data Exchange (ETDEWEB)

    Abbate, Sergio, E-mail: abbate@med.unibs.it [Dipartimento di Scienze Biomediche e Biotecnologie, Universita di Brescia, Viale Europa 11, 25123 Brescia (Italy); CNISM, Consorzio Interuniversitario Scienze Fisiche della Materia, Via della Vasca Navale 84, 00146 Roma (Italy); Longhi, Giovanna; Lebon, France [Dipartimento di Scienze Biomediche e Biotecnologie, Universita di Brescia, Viale Europa 11, 25123 Brescia (Italy); CNISM, Consorzio Interuniversitario Scienze Fisiche della Materia, Via della Vasca Navale 84, 00146 Roma (Italy); Tommasini, Matteo [Dipartimento di Chimica, Materiali e Ingegneria Chimica ' G. Natta' , Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano (Italy); Consorzio Interuniversitario per la Scienza e Tecnologia dei Materiali (INSTM), Unita di Ricerca del Politecnico di Milano (Dip. CMIC), Piazza Leonardo da Vinci 32, 20133 Milano (Italy)

    2012-09-11

    Highlights: Black-Right-Pointing-Pointer ECD and VCD Spectra of (R)-(-)-apomorphine measured in various solvents. Black-Right-Pointing-Pointer DFT calculations allow to study the protonation state and conformations. Black-Right-Pointing-Pointer Contributions from catechol OH vibrations to the VCD spectra is studied. -- Abstract: Apomorphine is a chiral drug molecule; notwithstanding its extraordinary importance, little attention has been paid to the characterization of its chiroptical properties. Here we report on its electronic circular dichroism (ECD) spectra, recorded in methanol and water, and vibrational circular dichroism (VCD) in methanol and dimethyl sulfoxide (DMSO) solutions. Density functional theory (DFT) calculations have allowed us to interpret the spectra and to evaluate the role of possible conformations, charge-states and interactions with counter ions.

  5. Relationships for electron-vibrational coupling in conjugated π organic systems

    Science.gov (United States)

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

    2005-06-01

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

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

    Science.gov (United States)

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

    2017-10-01

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

  7. Possible interaction between thermal electrons and vibrationally excited N2 in the lower E-region

    Directory of Open Access Journals (Sweden)

    K.-I. Oyama

    2011-03-01

    Full Text Available As one of the tasks to find the energy source(s of thermal electrons, which elevate(s electron temperature higher than neutral temperature in the lower ionosphere E-region, energy distribution function of thermal electron was measured with a sounding rocket at the heights of 93–131 km by the applying second harmonic method. The energy distribution function showed a clear hump at the energy of ~0.4 eV. In order to find the reason of the hump, we conducted laboratory experiment. We studied difference of the energy distribution functions of electrons in thermal energy range, which were measured with and without EUV radiation to plasma of N2/Ar and N2/O2 gas mixture respectively. For N2/Ar gas mixture plasma, the hump is not clearly identified in the energy distribution of thermal electrons. On the other hand for N2/O2 gas mixture, which contains vibrationally excited N2, a clear hump is found when irradiated by EUV. The laboratory experiment seems to suggest that the hump is produced as a result of interaction between vibrationally excited N2 and thermal electrons, and this interaction is the most probable heating source for the electrons of thermal energy range in the lower E-region. It is also suggested that energy distribution of the electrons in high energy part may not be Maxwellian, and DC probe measures the electrons which are non Maxwellian, and therefore "electron temperature" is calculated higher.

  8. Vibrational and electronic spectra of 2-nitrobenzanthrone: An experimental and computational study

    Science.gov (United States)

    Onchoke, Kefa K.; Chaudhry, Saad N.; Ojeda, Jorge J.

    2016-01-01

    The environmental pollutant 2-nitrobenzanthrone (2-NBA) poses human health hazards, and is formed by atmospheric reactions of NOX gases with atmospheric particulates. Though its mutagenic effects have been studied in biological systems, its comprehensive spectroscopic experimental data are scarce. Thus, vibrational and optical spectroscopic analysis (UV-Vis, and fluorescence) of 2-NBA was studied using both experimental and density functional theory employing B3LYP method with 6-311 + G(d,p) basis set. The scaled theoretical vibrational frequencies show good agreement to experiment to within 5 cm- 1 and NBA, respectively. On the basis of normal coordinate analysis complete assignments of harmonic experimental infrared and Raman bands are made. The influence of the nitro group substitution upon the benzanthrone structure and symmetric CH vibrations, and electronic spectra is noted. This study is useful for the development of spectroscopy-mutagenicity relationships in nitrated polycyclic aromatic hydrocarbons.

  9. First-Principles Vibrational Electron Energy Loss Spectroscopy of β -Guanine

    Science.gov (United States)

    Radtke, G.; Taverna, D.; Lazzeri, M.; Balan, E.

    2017-07-01

    A general approach to model vibrational electron energy loss spectra obtained using an electron beam positioned away from the specimen is presented. The energy-loss probability of the fast electron is evaluated using first-principles quantum mechanical calculations (density functional theory) of the dielectric response of the specimen. The validity of the method is assessed using recently measured anhydrous β -guanine, an important molecular solid used by animals to produce structural colors. The good agreement between theory and experiments lays the basis for a quantitative interpretation of this spectroscopy in complex systems.

  10. METHOD FOR DETERMINATION OF ROTATION CENTER IN VIBRATING OBJECT

    Directory of Open Access Journals (Sweden)

    I. P. Kauryha

    2016-01-01

    Full Text Available Linear piezoelectric gauges, eddy current transducers and other control and measuring devices have been widely applied for vibration diagnostics of objects in industry. Methods based on such gauges and used for measuring angular and linear vibrations do not provide the possibility to assess a rotation center or point angle of an object. Parasitic oscillations may occur during rotor rotation and in some cases the oscillations are caused by dis-balance. The known methods for measuring angular and linear vibrations make it possible to detect the phenomenon and they do not provide information for balancing of the given object. For this very reason the paper describes a method for obtaining instantaneous rotation center in the vibrating object. It allows to improve informational content of the measurements owing to obtaining additional data on position of object rotation center. The obtained data can be used for balancing of a control object. Essence of the given method is shown by an example of piezoelectric gauges of linear vibrations. Two three-axial gauges are fixed to the investigated object. Then gauge output signals are recalculated in angular vibrations of the object (for this purpose it is necessary to know a distance between gauges. Further projection positions of the object rotation center are determined on three orthogonal planes. Instantaneous rotation center is calculated according to the position of one of the gauges. The proposed method permits to obtain data on linear and angular vibrations and rotation center position of the vibrating object using one system of linear gauge. Possibilities of object diagnostics are expanded due to increase in number of determined parameters pertaining to object moving. The method also makes it possible to reduce material and time expenses for measurement of an angular vibration component. 

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

    Directory of Open Access Journals (Sweden)

    V. P. Redchenko

    2010-03-01

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

  12. Electron-vibrational transitions under molecular ions collisions with slow electrons

    International Nuclear Information System (INIS)

    Andreev, E.A.

    1993-01-01

    A concept of a multichannel quantum defect is considered and basic theoretic ratios of inelastic collisional processes with the participation of molecular positive ions and slow electrons playing an important role both in atmospheric and laboratory plasma, are presented. The problem of scattering channel number limitation with the provision of S-matrix unique character is considered. Different models of electron rotation-vibrational connection under collision of two-atom molecular ions with slow electrons are analysed. Taking N 2 + as an example, a high efficiency of transitions between different electron states of a molecular ion is shown. 73 refs., 9 figs., 1 tab

  13. A vibration correction method for free-fall absolute gravimeters

    Science.gov (United States)

    Qian, J.; Wang, G.; Wu, K.; Wang, L. J.

    2018-02-01

    An accurate determination of gravitational acceleration, usually approximated as 9.8 m s-2, has been playing an important role in the areas of metrology, geophysics, and geodetics. Absolute gravimetry has been experiencing rapid developments in recent years. Most absolute gravimeters today employ a free-fall method to measure gravitational acceleration. Noise from ground vibration has become one of the most serious factors limiting measurement precision. Compared to vibration isolators, the vibration correction method is a simple and feasible way to reduce the influence of ground vibrations. A modified vibration correction method is proposed and demonstrated. A two-dimensional golden section search algorithm is used to search for the best parameters of the hypothetical transfer function. Experiments using a T-1 absolute gravimeter are performed. It is verified that for an identical group of drop data, the modified method proposed in this paper can achieve better correction effects with much less computation than previous methods. Compared to vibration isolators, the correction method applies to more hostile environments and even dynamic platforms, and is expected to be used in a wider range of applications.

  14. Vibrationally elastic and inelastic scattering of electrons by hydrogen sulphide molecules

    International Nuclear Information System (INIS)

    Nishimura, Tamio; Itikawa, Yukikazu

    1996-01-01

    Vibrationally elastic and inelastic cross sections (differential and integral ones) are calculated for electron scattering from hydrogen sulphide (H 2 S) at the collision energies 3-30 eV. Vibrational excitation of all three fundamental modes is considered. The calculation is based on the rotationally sudden and a vibrationally close-coupling method using an ab initio electrostatic potential. The effects of electron exchange and target polarization are taken into account approximately. The resulting cross sections are compared with the experimental data available. The present differential cross sections (DCS) for the elastic scattering reproduce the experimental data well. For the inelastic scattering, the present DCS is too small at 3 eV, compared with the experimental data. This is probably due to a shape resonance, which the present calculation would not be sufficiently accurate to produce. In the higher energy region (i.e. above about 10 eV), the present vibrational cross section should be more reliable, but no experimental data are available so far. (Author)

  15. Measurement of food texture by an acoustic vibration method

    Science.gov (United States)

    Sakurai, Naoki; Taniwaki, Mitsuru; Iwatani, Shin-ichiro; Akimoto, Hidemi

    2011-09-01

    Food texture was measured by a new acoustic vibration method. A piezoelectric sensor sandwiched between a probe and piston was inserted into a food sample by delivery of silicon oil to a cylinder by a pump. Vibration emitted from the food sample on insertion of the probe was monitored by voltage outputs of the sensor. The voltage signals were passed through 19 half octave bands to calculate texture index for each band. The texture index was defined as vibration energy of the probe caused by the food rupture and/or breakage per unit time.

  16. Comparative analysis of the vibrational structure of the absorption spectra of acrolein in the excited ( S 1) electronic state

    Science.gov (United States)

    Koroleva, L. A.; Tyulin, V. I.; Matveev, V. K.; Pentin, Yu. A.

    2012-04-01

    The assignments of absorption bands of the vibrational structure of the UV spectrum are compared with the assignments of bands obtained by the CRDS method in a supersonic jet from the time of laser radiation damping for the trans isomer of acrolein in the excited ( S 1) electronic state. The ν00 trans = 25861 cm-1 values and fundamental frequencies, including torsional vibration frequency, obtained by the two methods were found to coincide in the excited electronic state ( S 1) for this isomer. The assignments of several absorption bands of the vibrational structure of the spectrum obtained by the CRDS method were changed. Changes in the assignment of (0-v') transition bands of the torsional vibration of the trans isomer in the Deslandres table from the ν00 trans trans origin allowed the table to be extended to high quantum numbers v'. The torsional vibration frequencies up to v' = 5 were found to be close to the frequencies found by analyzing the vibrational structure of the UV spectrum and calculated quantum-mechanically. The coincidence of the barrier to internal rotation (the cis-trans transition) in the one-dimensional model with that calculated quantum-mechanically using the two-dimensional model corresponds to a planar structure of the acrolein molecule in the excited ( S 1) electronic state.

  17. Developments In Electronic Speckle Pattern Interferometry For Automotive Vibration Analysis.

    Science.gov (United States)

    Davies, Jeremy C.; Buckberry, Clive H.; Jones, Julian D. C.; Pannell, Chris N.

    1989-01-01

    The incorporation of monomode fibre optics into an argon ion powered Electronic Speckle Pattern Interferometer (ESPI) is reported. The system, consisting of an optics assembly linked to the laser and a CCD camera transceiver, flexibly connected by 40m of monomode fibre optic cable to the optics, has been used to analyse the modal behaviour of structures up to 5m X 3m X 2m in size. Phase modulation of the reference beam in order to operate in a heterodyne mode has been implemented using a piezo-electric crystal operating on the monomode fibre. A new mode of operation - sequential time-average subtraction - and the results of a new processing algorithm are also reported. Their implementation enables speckle free, time-average vibration maps to be generated in real-time on large, unstable structures. Example results for a four cylinder power unit, a vehicle body shell component and an engine oil pan are included. In all cases the analysis was conducted in a general workshop environment without the need for vibration isolation facilities.

  18. 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.

  19. Efficient forced vibration reanalysis method for rotating electric machines

    Science.gov (United States)

    Saito, Akira; Suzuki, Hiromitsu; Kuroishi, Masakatsu; Nakai, Hideo

    2015-01-01

    Rotating electric machines are subject to forced vibration by magnetic force excitation with wide-band frequency spectrum that are dependent on the operating conditions. Therefore, when designing the electric machines, it is inevitable to compute the vibration response of the machines at various operating conditions efficiently and accurately. This paper presents an efficient frequency-domain vibration analysis method for the electric machines. The method enables the efficient re-analysis of the vibration response of electric machines at various operating conditions without the necessity to re-compute the harmonic response by finite element analyses. Theoretical background of the proposed method is provided, which is based on the modal reduction of the magnetic force excitation by a set of amplitude-modulated standing-waves. The method is applied to the forced response vibration of the interior permanent magnet motor at a fixed operating condition. The results computed by the proposed method agree very well with those computed by the conventional harmonic response analysis by the FEA. The proposed method is then applied to the spin-up test condition to demonstrate its applicability to various operating conditions. It is observed that the proposed method can successfully be applied to the spin-up test conditions, and the measured dominant frequency peaks in the frequency response can be well captured by the proposed approach.

  20. Reducing vibration transfer from power plants by active methods

    Science.gov (United States)

    Kiryukhin, A. V.; Milman, O. O.; Ptakhin, A. V.

    2017-12-01

    The possibility of applying the methods of active damping of vibration and pressure pulsations for reducing their transfer from power plants into the environment, the seating, and the industrial premises are considered. The results of experimental works implemented by the authors on the active broadband damping of vibration and dynamic forces after shock-absorption up to 15 dB in the frequency band up to 150 Hz, of water pressure pulsations in the pipeline up to 20 dB in the frequency band up to 600 Hz, and of spatial low-frequency air noise indoors of a diesel generator at discrete frequency up to 20 dB are presented. It is shown that a reduction of vibration transfer through a vibration-isolating junction (expansion joints) of pipelines with liquid is the most complicated and has hardly been developed so far. This problem is essential for vibration isolation of power equipment from the seating and the environment through pipelines with water and steam in the power and transport engineering, shipbuilding, and in oil and gas pipelines in pumping stations. For improving efficiency, reducing the energy consumption, and decreasing the overall dimensions of equipment, it is advisable to combine the work of an active system with passive damping means, the use of which is not always sufficient. The executive component of the systems of active damping should be placed behind the vibration isolators (expansion joints). It is shown that the existence of working medium and connection of vibration with pressure pulsations in existing designs of pipeline expansion joints lead to growth of vibration stiffness of the expansion joint with the environment by two and more orders as compared with the static stiffness and makes difficulties for using the active methods. For active damping of vibration transfer through expansion joints of pipelines with a liquid, it is necessary to develop expansion joint structures with minimal connection of vibrations and pulsations and minimal

  1. PGOPHER: A program for simulating rotational, vibrational and electronic spectra

    International Nuclear Information System (INIS)

    Western, Colin M.

    2017-01-01

    The PGOPHER program is a general purpose program for simulating and fitting molecular spectra, particularly the rotational structure. The current version can handle linear molecules, symmetric tops and asymmetric tops and many possible transitions, both allowed and forbidden, including multiphoton and Raman spectra in addition to the common electric dipole absorptions. Many different interactions can be included in the calculation, including those arising from electron and nuclear spin, and external electric and magnetic fields. Multiple states and interactions between them can also be accounted for, limited only by available memory. Fitting of experimental data can be to line positions (in many common formats), intensities or band contours and the parameters determined can be level populations as well as rotational constants. PGOPHER is provided with a powerful and flexible graphical user interface to simplify many of the tasks required in simulating, understanding and fitting molecular spectra, including Fortrat diagrams and energy level plots in addition to overlaying experimental and simulated spectra. The program is open source, and can be compiled with open source tools. This paper provides a formal description of the operation of version 9.1. - Highlights: • Easy-to-use graphical interface for assigning and understanding molecular spectra. • Simulates rotational and vibrational structure of many types of molecular spectra. • Fits molecular properties to line positions or spectral contours. • Handles linear molecules and symmetric and asymmetric tops. • Handles perturbations, nuclear and electron spin, and electric and magnetic fields.

  2. Assignment of absolute stereostructures through quantum mechanics electronic and vibrational circular dichroism calculations.

    Science.gov (United States)

    Dai, Peng; Jiang, Nan; Tan, Ren-Xiang

    2016-01-01

    Elucidation of absolute configuration of chiral molecules including structurally complex natural products remains a challenging problem in organic chemistry. A reliable method for assigning the absolute stereostructure is to combine the experimental circular dichroism (CD) techniques such as electronic and vibrational CD (ECD and VCD), with quantum mechanics (QM) ECD and VCD calculations. The traditional QM methods as well as their continuing developments make them more applicable with accuracy. Taking some chiral natural products with diverse conformations as examples, this review describes the basic concepts and new developments of QM approaches for ECD and VCD calculations in solution and solid states.

  3. Structural, vibrational, electronic investigations and quantum chemical studies of 2-amino-4-methoxybenzothiazole

    Science.gov (United States)

    Arjunan, V.; Raj, Arushma; Santhanam, R.; Marchewka, M. K.; Mohan, S.

    2013-02-01

    Extensive vibrational investigations of 2-amino-4-methoxybenzothiazole have been carried out with FTIR and FT-Raman spectral techniques. The electronic structure of the molecule has been analysed by UV-Visible and NMR spectroscopies. The DFT studies were carried out with B3LYP and HF methods utilising 6-31G(d,p), 6-311++G(d,p) and cc-pVDZ basis sets to determine the structural, thermodynamical, vibrational, electronic characteristics of the compound and also to understand the electronic and steric influence of the methoxy amino groups on the skeletal frequencies. The mixing of the fundamental modes was determined with the help of total energy distribution (TED). The energies of the frontier molecular orbitals have also been determined. The kinetic and thermodynamic stability and chemical hardness of the molecule have been determined. Complete NBO analysis was also carried out to find out the intramolecular electronic interactions and their stabilisation energy. 1H and 13C NMR chemical shifts and the electronic transitions of the molecule are also discussed.

  4. Structural, vibrational, electronic investigations and quantum chemical studies of 2-amino-4-methoxybenzothiazole.

    Science.gov (United States)

    Arjunan, V; Raj, Arushma; Santhanam, R; Marchewka, M K; Mohan, S

    2013-02-01

    Extensive vibrational investigations of 2-amino-4-methoxybenzothiazole have been carried out with FTIR and FT-Raman spectral techniques. The electronic structure of the molecule has been analysed by UV-Visible and NMR spectroscopies. The DFT studies were carried out with B3LYP and HF methods utilising 6-31G(d,p), 6-311++G(d,p) and cc-pVDZ basis sets to determine the structural, thermodynamical, vibrational, electronic characteristics of the compound and also to understand the electronic and steric influence of the methoxy amino groups on the skeletal frequencies. The mixing of the fundamental modes was determined with the help of total energy distribution (TED). The energies of the frontier molecular orbitals have also been determined. The kinetic and thermodynamic stability and chemical hardness of the molecule have been determined. Complete NBO analysis was also carried out to find out the intramolecular electronic interactions and their stabilisation energy. (1)H and (13)C NMR chemical shifts and the electronic transitions of the molecule are also discussed. Copyright © 2012 Elsevier B.V. All rights reserved.

  5. Vibration of carbon nanotubes with defects: order reduction methods

    Science.gov (United States)

    Hudson, Robert B.; Sinha, Alok

    2018-03-01

    Order reduction methods are widely used to reduce computational effort when calculating the impact of defects on the vibrational properties of nearly periodic structures in engineering applications, such as a gas-turbine bladed disc. However, despite obvious similarities these techniques have not yet been adapted for use in analysing atomic structures with inevitable defects. Two order reduction techniques, modal domain analysis and modified modal domain analysis, are successfully used in this paper to examine the changes in vibrational frequencies, mode shapes and mode localization caused by defects in carbon nanotubes. The defects considered are isotope defects and Stone-Wales defects, though the methods described can be extended to other defects.

  6. Laser method of acoustical emission control from vibrating surfaces

    Science.gov (United States)

    Motyka, Zbigniew

    2013-01-01

    For limitation of the noise in environment, the necessity occurs of determining and location of sources of sounds emitted from surfaces of many machines and devices, assuring in effect the possibility of suitable constructional changes implementation, targeted at decreasing of their nuisance. In the paper, the results of tests and calculations are presented for plane surface sources emitting acoustic waves. The tests were realized with the use of scanning laser vibrometer which enabled remote registration and the spectral analysis of the surfaces vibrations. The known hybrid digital method developed for determination of sound wave emission from such surfaces divided into small finite elements was slightly modified by distinguishing the phase correlations between such vibrating elements. The final method being developed may find use in wide range of applications for different forms of vibrations of plane surfaces.

  7. Integral cross sections for electron impact excitation of vibrational and electronic states in phenol

    Energy Technology Data Exchange (ETDEWEB)

    Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Blanco, F. [Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, 28040 Madrid (Spain); García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); Ratnavelu, K. [Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)

    2015-05-21

    We report on measurements of integral cross sections (ICSs) for electron impact excitation of a series of composite vibrational modes and electronic-states in phenol, where the energy range of those experiments was 15–250 eV. There are currently no other results against which we can directly compare those measured data. We also report results from our independent atom model with screened additivity rule correction computations, namely, for the inelastic ICS (all discrete electronic states and neutral dissociation) and the total ionisation ICS. In addition, for the relevant dipole-allowed excited electronic states, we also report f-scaled Born-level and energy-corrected and f-scaled Born-level (BEf-scaled) ICS. Where possible, our measured and calculated ICSs are compared against one another with the general level of accord between them being satisfactory to within the measurement uncertainties.

  8. An inverse method for identification of a distributed random excitation acting on a vibrating structure flow-induced vibration application

    International Nuclear Information System (INIS)

    Perotin, L.; Granger, S.

    1997-01-01

    In order to improve the prediction of wear problems due to flow-induced vibration in PWR components, an inverse method for identifying a distributed random excitation acting on a dynamical system has been developed at EDF. This method, whose applications go far beyond the flow-induced vibration field, has been implemented into the MEIDEE software. This method is presented. (author)

  9. Natural bond orbital analysis, electronic structure and vibrational spectral analysis of N-(4-hydroxyl phenyl) acetamide: A density functional theory

    Science.gov (United States)

    Govindasamy, P.; Gunasekaran, S.; Ramkumaar, G. R.

    2014-09-01

    The Fourier transform infrared (FT-IR) and FT-Raman spectra of N-(4-hydroxy phenyl) acetamide (N4HPA) of painkiller agent were recorded in the region 4000-450 cm-1 and 4000-50 cm-1 respectively. Density functional theory (DFT) has been used to calculate the optimized geometrical parameter, atomic charges, and vibrational wavenumbers and intensity of the vibrational bands. The computed vibrational wave numbers were compared with the FT-IR and FT-Raman experimental data. The computational calculations at DFT/B3LYP level with 6-31G(d,p), 6-31++G(d,p), 6-311G(d,p) and 6-311++G(d,p) basis sets. The complete vibrational assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes calculated using Vibrational energy distribution analysis (VEDA 4) program. The oscillator’s strength calculated by TD-DFT and N4HPA is approach complement with the experimental findings. The NMR chemical shifts 13C and 1H were recorded and calculated using the gauge independent atomic orbital (GIAO) method. The molecular electrostatic potential (MESP) and electron density surfaces of the molecule were constructed. The Natural charges and intermolecular contacts have been interpreted using Natural Bond orbital (NBO) analysis the HOMO-LUMO energy gap has been calculated. The thermodynamic properties like entropy, heat capacity and zero vibrational energy have been calculated.

  10. Vibrational and electronic excitation of hexatriacontane thin films by low energy electron impact

    International Nuclear Information System (INIS)

    Vilar, M.R.; Schott, M.; Pfluger, P.

    1990-01-01

    Thin polycrystalline films of hexatriacontane (HTC) were irradiated with low energy (E=0.5--15 eV) electrons, and off-specular backscattered electron spectra were measured. Below E∼7 eV, single and multiple vibrational excitations only are observed, which relax the electrons down to the bottom of the HTC conduction band. Due to the negative electron affinity of HTC, thermal electrons are emitted into vacuum. Structure in the backscattered electron current at kinetic energies about 1.5 and 4 eV are associated to conduction band density of states. Above E∼7 eV, the dominant losses correspond to electronic excitations, excitons, or above a threshold (energy of the electron inside the HTC film) at 9.2±0.1 eV, electron--hole pair generation. The latter process is very efficient and reaches a yield of the order of one ∼11 eV. Evidence for chemical reaction above E∼4 eV is observed

  11. Recent development of the passive vibration control method

    Science.gov (United States)

    Ishida, Yukio

    2012-05-01

    This paper introduces new passive vibration suppression methods developed recently in our laboratory. First, two methods used to suppress steady-state resonances are explained. One is the improvement of the efficiency of a ball balancer. A simple method to eliminate the influence of friction of balls and to improve its efficiency is introduced. The other is an effective method that utilizes the discontinuous spring characteristics. Secondly, a method to eliminate unstable ranges in rotor systems is explained. Unstable ranges in an asymmetrical shaft, and in a hollow rotor partially filled with liquid, are eliminated by the discontinuous spring characteristics. Thirdly, a method to suppress self-excited oscillations is explained. Self-excited oscillations due to internal damping and rubbing are discussed. Finally, the methods of using a pendulum or roller type absorbers to suppress torsional vibrations are explained.

  12. Simulation Study of Electronic Damping of Microphonic Vibrations in Superconducting Cavities

    International Nuclear Information System (INIS)

    Alicia Hofler; Jean Delayen

    2005-01-01

    Electronic damping of microphonic vibrations in superconducting rf cavities involves an active modulation of the cavity field amplitude in order to induce ponderomotive forces that counteract the effect of ambient vibrations on the cavity frequency. In lightly beam loaded cavities, a reduction of the microphonics-induced frequency excursions leads directly to a reduction of the rf power required for phase and amplitude stabilization. Jefferson Lab is investigating such an electronic damping scheme that could be applied to the JLab 12 GeV upgrade, the RIA driver, and possibly to energy-recovering superconducting linacs. This paper discusses a model and presents simulation results for electronic damping of microphonic vibrations

  13. Comparison of vibrational conductivity and radiative energy transfer methods

    Science.gov (United States)

    Le Bot, A.

    2005-05-01

    This paper is concerned with the comparison of two methods well suited for the prediction of the wideband response of built-up structures subjected to high-frequency vibrational excitation. The first method is sometimes called the vibrational conductivity method and the second one is rather known as the radiosity method in the field of acoustics, or the radiative energy transfer method. Both are based on quite similar physical assumptions i.e. uncorrelated sources, mean response and high-frequency excitation. Both are based on analogies with some equations encountered in the field of heat transfer. However these models do not lead to similar results. This paper compares the two methods. Some numerical simulations on a pair of plates joined along one edge are provided to illustrate the discussion.

  14. Large electron transfer rate effects from the Duschinsky mixing of vibrations

    DEFF Research Database (Denmark)

    Sando, Gerald M.; Spears, Kenneth G; Hupp, Joseph T

    2001-01-01

    vibrations are very important. The Duschinsky effect arises when two electronic states have vibrational normal mode coordinate systems that are rotated and translated relative to each other. We use a conventional quantum rate model for ET, and the examples include 6-8 vibrations, where two vibrational modes...... are mixed with different amounts of coordinate rotation. The multidimensional Franck-Condon factors (FCF) are computed with standard algorithms and recently developed recursion relations. When displaced, totally symmetric modes are involved, rates with Duschinsky mixing can increase several orders...

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

    International Nuclear Information System (INIS)

    Deyne, Andy Van Yperen-De; Pauwels, Ewald; Ghysels, An; Waroquier, Michel; Van Speybroeck, Veronique; Hemelsoet, Karen; De Meyer, Thierry; De Clerck, Karen

    2014-01-01

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

  16. A new look into conformational, vibrational and electronic structure analysis of 3,4-dimethoxybenzonitrile.

    Science.gov (United States)

    Arjunan, V; Devi, L; Remya, P; Mohan, S

    2013-09-01

    The FTIR and FT-Raman spectra of 3,4-dimethoxybenzonitrile (34DMBN) have been analysed. Quantum chemical studies were performed with B3LYP method using 6-311++G(d,p), 6-31G(d,p) and cc-pVTZ basis sets. The electron donating effect of -OCH3 and electron withdrawing effect of -C≡N groups on the ring parameters were thoroughly analysed. The structural parameters, energies, thermodynamic properties, vibrational frequencies and the NBO charges of 34DMBN were determined. The (1)H and (13)C chemical shifts with respect to TMS were investigated and also calculated theoretically using the gauge independent atomic orbital method and compared with the experimental data. The delocalisation energy of different types of bonding interactions was investigated. Copyright © 2013 Elsevier B.V. All rights reserved.

  17. Structural, Electronic, Magnetic, and Vibrational Properties of Graphene and Silicene: A First-Principles Perspective

    KAUST Repository

    Kaloni, Thaneshwor P.

    2013-01-01

    This thesis covers the structural, electronic, magnetic, and vibrational properties of graphene and silicene. In Chapter I, we will start with an introduction to graphene and silicene. In Chapter II, we will briefly discuss about the methodology (i

  18. Correlation between mechanical vibrations and resolving power of an electron microscope

    International Nuclear Information System (INIS)

    Lopez, J.J.

    1975-01-01

    The mechanical vibrations of the Grenoble 1MV electron microscope are analyzed. The solutions used to obtain a stability in the order of 3.10 -6 are exposed. A resolution of 1,8A should be achieved [fr

  19. Quantum decoherence in electronic current flowing through carbon nanotubes induced by thermal atomic vibrations

    Science.gov (United States)

    Ishizeki, Keisuke; Sasaoka, Kenji; Konabe, Satoru; Souma, Satofumi; Yamamoto, Takahiro

    2018-06-01

    We theoretically investigate quantum decoherence in electronic currents flowing through metallic carbon nanotubes caused by thermal atomic vibrations using the time-dependent Schrödinger equation for an open system. We reveal that the quantum coherence of conduction electrons decays exponentially with tube length at a fixed temperature, and that the decay rate increases with temperature. We also find that the phase relaxation length due to the thermal atomic vibrations is inversely proportional to temperature.

  20. Electronic, vibrational and related properties of group IV metal oxides by ab initio calculations

    International Nuclear Information System (INIS)

    Leite Alves, H.W.; Silva, C.C.; Lino, A.T.; Borges, P.D.; Scolfaro, L.M.R.; Silva, E.F. da

    2008-01-01

    We present our theoretical results for the structural, electronic, vibrational and optical properties of MO 2 (M = Sn, Zr, Hf and Ti) obtained by first-principles calculations. Relativistic effects are demonstrated to be important for a realistic description of the detailed structure of the electronic frequency-dependent dielectric function, as well as of the carrier effective masses. Based on our results, we found that the main contribution of the high values calculated for the oxides dielectric constants arises from the vibrational properties of these oxides, and the vibrational static dielectric constant values diminish with increasing pressure

  1. The separation of vibrational coherence from ground- and excited-electronic states in P3HT film

    KAUST Repository

    Song, Yin; Hellmann, Christoph; Stingelin, Natalie; Scholes, Gregory D.

    2015-01-01

    © 2015 AIP Publishing LLC. Concurrence of the vibrational coherence and ultrafast electron transfer has been observed in polymer/fullerene blends. However, it is difficult to experimentally investigate the role that the excited-state vibrational

  2. Structural, electronic and vibrational properties of lanthanide monophosphide at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Panchal, J. M., E-mail: amitjignesh@yahoo.co.in [Government Engineering College, Gandhinagar382028, Gujarat (India); Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India); Joshi, Mitesh [Government Polytechnic for Girls, Athwagate, Surat395001, Gujarat (India); Gajjar, P. N., E-mail: pngajjar@rediffmail.com [Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India)

    2016-05-06

    A first-principles plane wave self-consistent method with the ultra-soft-pseudopotential scheme in the framework of the density functional theory (DFT) is performed to study structural, electronic and vibrational properties of LaP for Rock-salt (NaCl/Bl) and Cesium-chloride (CsCl/B2) phases. The instability of Rock-salt (NaCl/Bl) phases around the transition is discussed. Conclusions based on electronic energy band structure, density of state, phonon dispersion and phonon density of states in both phases are outlined. The calculated results are consistence and confirm the successful applicability of quasi-harmonic phonon theory for structural instability studies for the alloys.

  3. Structural, electronic and vibrational properties of lanthanide monophosphide at high pressure

    International Nuclear Information System (INIS)

    Panchal, J. M.; Joshi, Mitesh; Gajjar, P. N.

    2016-01-01

    A first-principles plane wave self-consistent method with the ultra-soft-pseudopotential scheme in the framework of the density functional theory (DFT) is performed to study structural, electronic and vibrational properties of LaP for Rock-salt (NaCl/Bl) and Cesium-chloride (CsCl/B2) phases. The instability of Rock-salt (NaCl/Bl) phases around the transition is discussed. Conclusions based on electronic energy band structure, density of state, phonon dispersion and phonon density of states in both phases are outlined. The calculated results are consistence and confirm the successful applicability of quasi-harmonic phonon theory for structural instability studies for the alloys.

  4. Differential cross sections for electron-impact vibrational-excitation of tetrahydrofuran at intermediate impact energies

    Energy Technology Data Exchange (ETDEWEB)

    Do, T. P. T. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); School of Education, Can Tho University, Campus II, 3/2 Street, Xuan Khanh, Ninh Kieu, Can Tho City (Viet Nam); Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Konovalov, D. A.; White, R. D. [College of Science, Technology and Engineering, James Cook University, Townsville (Australia); Brunger, M. J., E-mail: michael.brunger@flinders.edu.au, E-mail: darryl.jones@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia); Jones, D. B., E-mail: michael.brunger@flinders.edu.au, E-mail: darryl.jones@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia)

    2015-03-28

    We report differential cross sections (DCSs) for electron-impact vibrational-excitation of tetrahydrofuran, at intermediate incident electron energies (15-50 eV) and over the 10°-90° scattered electron angular range. These measurements extend the available DCS data for vibrational excitation for this species, which have previously been obtained at lower incident electron energies (≤20 eV). Where possible, our data are compared to the earlier measurements in the overlapping energy ranges. Here, quite good agreement was generally observed where the measurements overlapped.

  5. Initial vibrational and rotational yields from subexcitation electrons in molecular hydrogen

    International Nuclear Information System (INIS)

    Douthat, D.A.

    1987-01-01

    As the energy of a single source electron injected into a molecular gas is degraded through collisions, initial products include secondary electrons, ions, and excited molecules. Electrons with kinetic energies less than the minimum required for excitation of the lowest electronic state are given the designation subexcitation electrons. These electrons are still capable of exciting vibrational and rotational states of molecular gases. In this calculation, the initial numbers of vibrational and rotational excitations (yields) produced as the subexcitation electrons undergo further energy degradation are determined for molecular hydrogen. The calculation requires a complete set of cross section data for numerical solution of the Boltzmann equation. The initial energy distribution of electrons is taken to be the subexcitation distribution which was determined previously. The initial yields are tabulated for gas temperatures from 50 K to 1500 K for a source electron with initial energy 10 keV. 26 references

  6. Directing the path of light-induced electron transfer at a molecular fork using vibrational excitation

    Science.gov (United States)

    Delor, Milan; Archer, Stuart A.; Keane, Theo; Meijer, Anthony J. H. M.; Sazanovich, Igor V.; Greetham, Gregory M.; Towrie, Michael; Weinstein, Julia A.

    2017-11-01

    Ultrafast electron transfer in condensed-phase molecular systems is often strongly coupled to intramolecular vibrations that can promote, suppress and direct electronic processes. Recent experiments exploring this phenomenon proved that light-induced electron transfer can be strongly modulated by vibrational excitation, suggesting a new avenue for active control over molecular function. Here, we achieve the first example of such explicit vibrational control through judicious design of a Pt(II)-acetylide charge-transfer donor-bridge-acceptor-bridge-donor 'fork' system: asymmetric 13C isotopic labelling of one of the two -C≡C- bridges makes the two parallel and otherwise identical donor→acceptor electron-transfer pathways structurally distinct, enabling independent vibrational perturbation of either. Applying an ultrafast UVpump(excitation)-IRpump(perturbation)-IRprobe(monitoring) pulse sequence, we show that the pathway that is vibrationally perturbed during UV-induced electron transfer is dramatically slowed down compared to its unperturbed counterpart. One can thus choose the dominant electron transfer pathway. The findings deliver a new opportunity for precise perturbative control of electronic energy propagation in molecular devices.

  7. Damage-free vibrational spectroscopy of biological materials in the electron microscope.

    Science.gov (United States)

    Rez, Peter; Aoki, Toshihiro; March, Katia; Gur, Dvir; Krivanek, Ondrej L; Dellby, Niklas; Lovejoy, Tracy C; Wolf, Sharon G; Cohen, Hagai

    2016-03-10

    Vibrational spectroscopy in the electron microscope would be transformative in the study of biological samples, provided that radiation damage could be prevented. However, electron beams typically create high-energy excitations that severely accelerate sample degradation. Here this major difficulty is overcome using an 'aloof' electron beam, positioned tens of nanometres away from the sample: high-energy excitations are suppressed, while vibrational modes of energies electron energy loss spectra from biogenic guanine crystals in their native state, resolving their characteristic C-H, N-H and C=O vibrational signatures with no observable radiation damage. The technique opens up the possibility of non-damaging compositional analyses of organic functional groups, including non-crystalline biological materials, at a spatial resolution of ∼10 nm, simultaneously combined with imaging in the electron microscope.

  8. Theoretical resonant electron-impact vibrational excitation, dissociative recombination and dissociative excitation cross sections of ro-vibrationally excited BeH"+ ion

    International Nuclear Information System (INIS)

    Laporta, V.; Chakrabarti, K.; Celiberto, R.; Janev, R. K.; Mezei, J. Zs.; Niyonzima, S.; Tennyson, J.; Schneider, I.F.

    2017-01-01

    A theoretical study of resonant vibrational excitation, dissociative recombination and dissociative excitation processes of the beryllium monohydride cation, BeH"+ , induced by electron impact, is reported. Full sets of ro-vibrationally-resolved cross sections and of the corresponding Maxwellian rate coefficients are presented for the three processes. Particular emphasis is given to the high-energy behaviour. Potential curves of "2σ"+, "2σ and "2δ symmetries and the corresponding resonance widths, obtained from R-matrix calculations, provide the input for calculations which use a local complex-potential model for resonant collisions in each of the three symmetries. Rotational motion of nuclei and isotopic effects are also discussed. The relevant results are compared with those obtained using a multichannel quantum defect theory method. Full results are available from the Phys4Entry database.

  9. Vibration analysis of the piping system using the modal analysis method, 1

    International Nuclear Information System (INIS)

    Fujikawa, Takeshi; Kurohashi, Michiya; Inoue, Yoshio

    1975-01-01

    Modal analysis method was developed for the vibration analysis of piping system in nuclear or chemical plants, with finite element theory, and verified by sinusoidal vibration method. The natural vibration equation for pipings was derived with stiffness, attenuation and mass matrices, and eigenvalues are obtained with usual method, then the forced vibration equation for pipings was derived with the same manner, and the special solutions are given by modal method from the eigenvalues of the natural vibration equation. Three simple piping models (one, two and three dimensional) were made, and the natural vibration frequency was measured with forced input from an electrical dynamic shaker and a sound speaker. The experimental values of natural vibration frequency showed good agreement with the results by the analytical method. Therefore the theoretical approach for piping system vibration was proved to be valid. (Iwase, T.)

  10. Intermediate energy electron impact excitation of composite vibrational modes in phenol

    Energy Technology Data Exchange (ETDEWEB)

    Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, G.P.O. Box 2100, Adelaide, SA 5001 (Australia); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, Minas Gerais (Brazil); Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, G.P.O. Box 2100, Adelaide, SA 5001 (Australia); Lopes, M. C. A.; Nixon, K. L. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, Minas Gerais (Brazil); Oliveira, E. M. de; Lima, M. A. P. [Instituto de Física ‘Gleb Wataghin,’ Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo (Brazil); Costa, R. F. da [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, São Paulo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, C.P. 66318, 05315-970 São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, C.P. 19044, 81531-990 Curitiba, Paraná (Brazil); Silva, G. B. da [Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, G.P.O. Box 2100, Adelaide, SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)

    2015-05-21

    We report differential cross section results from an experimental investigation into the electron impact excitation of a number of the low-lying composite (unresolved) vibrational modes in phenol (C{sub 6}H{sub 5}OH). The measurements were carried out at incident electron energies in the range 15–40 eV and for scattered-electron angles in the range 10–90°. The energy resolution of those measurements was typically ∼80 meV. Calculations, using the GAMESS code, were also undertaken with a B3LYP/aug-cc-pVDZ level model chemistry, in order to enable us to assign vibrational modes to the features observed in our energy loss spectra. To the best of our knowledge, the present cross sections are the first to be reported for vibrational excitation of the C{sub 6}H{sub 5}OH molecule by electron impact.

  11. 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.

  12. Conformational, structural, vibrational, electronic and quantum chemical investigations of cis-2-methoxycinnamic acid

    Science.gov (United States)

    Arjunan, V.; Anitha, R.; Marchewka, M. K.; Mohan, S.; Yang, Haifeng

    2015-01-01

    The Fourier transform infrared (FTIR) and FT-Raman spectra of cis-2-methoxycinnamic acid have been measured in the range 4000-400 and 4000-100 cm-1, respectively. Complete vibrational assignment and analysis of the fundamental modes of the compound were carried out using the observed FTIR and FT-Raman data. The geometry was optimised without any symmetry constrains using the DFT/B3LYP method utilising 6-311++G∗∗ and cc-pVTZ basis sets. The thermodynamic stability and chemical reactivity descriptors of the molecule have been determined. The exact environment of C and H of the molecule has been analysed by NMR spectroscopies through 1H and 13C NMR chemical shifts of the molecule. The energies of the frontier molecular orbitals have also been determined. Complete NBO analysis was also carried out to find out the intramolecular electronic interactions and their stabilisation energy. The vibrational frequencies which were determined experimentally are compared with those obtained theoretically from density functional theory (DFT) gradient calculations employing the B3LYP/6-311++G∗∗ and cc-pVTZ methods.

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

    KAUST Repository

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

    2015-01-01

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

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

    KAUST Repository

    Bakulin, Artem A.

    2015-08-06

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

  15. Calculation of Vibrational and Electronic Excited-State Absorption Spectra of Arsenic-Water Complexes Using Density Functional Theory

    Science.gov (United States)

    2016-06-03

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--16-9681 Calculation of Vibrational and Electronic Excited -State Absorption Spectra...NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Calculation of Vibrational and Electronic Excited -State Absorption Spectra of Arsenic-Water Complexes Using...Unclassified Unlimited Unclassified Unlimited 59 Samuel G. Lambrakos (202) 767-2601 Calculations are presented of vibrational and electronic excited -state

  16. A simple optical method for measuring the vibration amplitude of a speaker

    OpenAIRE

    UEDA, Masahiro; YAMAGUCHI, Toshihiko; KAKIUCHI, Hiroki; SUGA, Hiroshi

    1999-01-01

    A simple optical method has been proposed for measuring the vibration amplitude of a speaker vibrating with a frequency of approximately 10 kHz. The method is based on a multiple reflection between a vibrating speaker plane and a mirror parallel to that speaker plane. The multiple reflection can magnify a dispersion of the laser beam caused by the vibration, and easily make a measurement of the amplitude. The measuring sensitivity ranges between sub-microns and 1 mm. A preliminary experim...

  17. Vibration analysis of pipes conveying fluid by transfer matrix method

    International Nuclear Information System (INIS)

    Li, Shuai-jun; Liu, Gong-min; Kong, Wei-tao

    2014-01-01

    Highlights: • A theoretical study on vibration analysis of pipes with FSI is presented. • Pipelines with high fluid pressure and velocity can be solved by developed method. • Several pipeline schemes are discussed to illustrate the application of the method. • The proposed method is easier to apply compared to most existing procedures. • Influence laws of structural and fluid parameters on FSI of pipe are analyzed. -- Abstract: Considering the effects of pipe wall thickness, fluid pressure and velocity, a developed 14-equation model is presented, which describes the fluid–structure interaction behavior of pipelines. The transfer matrix method has been used for numerical modeling of both hydraulic and structural equations. Based on these models and algorithms, several pipeline schemes are presented to illustrate the application of the proposed method. Furthermore, the influence laws of supports, structural properties and fluid parameters on the dynamic response and natural frequencies of pipeline are analyzed, which shows using the optimal supports and structural properties is beneficial to reduce vibration of pipelines

  18. Comparison of methods for separating vibration sources in rotating machinery

    Science.gov (United States)

    Klein, Renata

    2017-12-01

    Vibro-acoustic signatures are widely used for diagnostics of rotating machinery. Vibration based automatic diagnostics systems need to achieve a good separation between signals generated by different sources. The separation task may be challenging, since the effects of the different vibration sources often overlap. In particular, there is a need to separate between signals related to the natural frequencies of the structure and signals resulting from the rotating components (signal whitening), as well as a need to separate between signals generated by asynchronous components like bearings and signals generated by cyclo-stationary components like gears. Several methods were proposed to achieve the above separation tasks. The present study compares between some of these methods. The paper also presents a new method for whitening, Adaptive Clutter Separation, as well as a new efficient algorithm for dephase, which separates between asynchronous and cyclo-stationary signals. For whitening the study compares between liftering of the high quefrencies and adaptive clutter separation. For separating between the asynchronous and the cyclo-stationary signals the study compares between liftering in the quefrency domain and dephase. The methods are compared using both simulated signals and real data.

  19. Satellite Vibration Testing: Angle optimisation method to Reduce Overtesting

    Science.gov (United States)

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

    2018-06-01

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

  20. Single-molecule electronics: Cooling individual vibrational modes by the tunneling current.

    Science.gov (United States)

    Lykkebo, Jacob; Romano, Giuseppe; Gagliardi, Alessio; Pecchia, Alessandro; Solomon, Gemma C

    2016-03-21

    Electronic devices composed of single molecules constitute the ultimate limit in the continued downscaling of electronic components. A key challenge for single-molecule electronics is to control the temperature of these junctions. Controlling heating and cooling effects in individual vibrational modes can, in principle, be utilized to increase stability of single-molecule junctions under bias, to pump energy into particular vibrational modes to perform current-induced reactions, or to increase the resolution in inelastic electron tunneling spectroscopy by controlling the life-times of phonons in a molecule by suppressing absorption and external dissipation processes. Under bias the current and the molecule exchange energy, which typically results in heating of the molecule. However, the opposite process is also possible, where energy is extracted from the molecule by the tunneling current. Designing a molecular "heat sink" where a particular vibrational mode funnels heat out of the molecule and into the leads would be very desirable. It is even possible to imagine how the vibrational energy of the other vibrational modes could be funneled into the "cooling mode," given the right molecular design. Previous efforts to understand heating and cooling mechanisms in single molecule junctions have primarily been concerned with small models, where it is unclear which molecular systems they correspond to. In this paper, our focus is on suppressing heating and obtaining current-induced cooling in certain vibrational modes. Strategies for cooling vibrational modes in single-molecule junctions are presented, together with atomistic calculations based on those strategies. Cooling and reduced heating are observed for two different cooling schemes in calculations of atomistic single-molecule junctions.

  1. A Vibration Control Method for the Flexible Arm Based on Energy Migration

    Directory of Open Access Journals (Sweden)

    Yushu Bian

    2015-01-01

    Full Text Available A vibration control method based on energy migration is proposed to decrease vibration response of the flexible arm undergoing rigid motion. A type of vibration absorber is suggested and gives rise to the inertial coupling between the modes of the flexible arm and the absorber. By analyzing 1 : 2 internal resonance, it is proved that the internal resonance can be successfully created and the exchange of vibration energy is existent. Due to the inertial coupling, the damping enhancement effect is revealed. Via the inertial coupling, vibration energy of the flexible arm can be dissipated by not only the damping of the vibration absorber but also its own enhanced damping, thereby effectively decreasing vibration. Through numerical simulations and analyses, it is proven that this method is feasible in controlling nonlinear vibration of the flexible arm undergoing rigid motion.

  2. Multiple scattering approach to the vibrational excitation of molecules by slow electrons

    International Nuclear Information System (INIS)

    Drukarev, G.

    1976-01-01

    Another approach to the problem of vibrational excitation of homonuclear two-atomic molecules by slow electrons possibly accompanied by rotational transitions is presented based on the picture of multiple scattering of an electron inside the molecule. The scattering of two fixed centers in the zero range potential model is considered. The results indicate that the multiple scattering determines the order of magnitude of the vibrational excitation cross sections in the energy region under consideration even if the zero range potential model is used. Also the connection between the multiple scattering approach and quasi-stationary molecular ion picture is established. 9 refs

  3. Experimental and DFT studies of (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline: Electronic and vibrational properties

    Science.gov (United States)

    Sun, Wenqi; Yuan, Guozan; Liu, Jingxin; Ma, Li; Liu, Chengbu

    2013-04-01

    The title molecule (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline (DPEQ) was synthesized and characterized by FT-IR, UV-vis, NMR spectroscopy. The molecular geometry, vibrational frequencies and gauge independent atomic orbital (GIAO) 1H and 13C NMR chemical shift values of the compound in the ground state have been calculated by using the density functional theory (DFT) method. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. The calculated results indicate that the theoretical vibrational frequencies, 1H and 13C NMR chemical shift values show good agreement with experimental data. The electronic properties like UV-vis spectral analysis and HOMO-LUMO analysis of DPEQ have been reported and compared with experimental data. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecule has been obtained by mapping electron density isosurface with molecular electrostatic potential (MEP).

  4. Numerical analysis using state space method for vibration control of ...

    African Journals Online (AJOL)

    In passenger cars the vibrations developed at the ground are transmitted to the passengers through seats. Due to vibrations discomfort is experienced by the passengers. Dampers are being successfully utilized to reduce the vibrations in civil engineering structures. Few dampers are used in passenger cars as well.

  5. A Novel Vibration Mode Testing Method for Cylindrical Resonators Based on Microphones

    Directory of Open Access Journals (Sweden)

    Yongmeng Zhang

    2015-01-01

    Full Text Available Non-contact testing is an important method for the study of the vibrating characteristic of cylindrical resonators. For the vibratory cylinder gyroscope excited by piezo-electric electrodes, mode testing of the cylindrical resonator is difficult. In this paper, a novel vibration testing method for cylindrical resonators is proposed. This method uses a MEMS microphone, which has the characteristics of small size and accurate directivity, to measure the vibration of the cylindrical resonator. A testing system was established, then the system was used to measure the vibration mode of the resonator. The experimental results show that the orientation resolution of the node of the vibration mode is better than 0.1°. This method also has the advantages of low cost and easy operation. It can be used in vibration testing and provide accurate results, which is important for the study of the vibration mode and thermal stability of vibratory cylindrical gyroscopes.

  6. Scanning probe methods applied to molecular electronics

    Energy Technology Data Exchange (ETDEWEB)

    Pavlicek, Niko

    2013-08-01

    Scanning probe methods on insulating films offer a rich toolbox to study electronic, structural and spin properties of individual molecules. This work discusses three issues in the field of molecular and organic electronics. An STM head to be operated in high magnetic fields has been designed and built up. The STM head is very compact and rigid relying on a robust coarse approach mechanism. This will facilitate investigations of the spin properties of individual molecules in the future. Combined STM/AFM studies revealed a reversible molecular switch based on two stable configurations of DBTH molecules on ultrathin NaCl films. AFM experiments visualize the molecular structure in both states. Our experiments allowed to unambiguously determine the pathway of the switch. Finally, tunneling into and out of the frontier molecular orbitals of pentacene molecules has been investigated on different insulating films. These experiments show that the local symmetry of initial and final electron wave function are decisive for the ratio between elastic and vibration-assisted tunneling. The results can be generalized to electron transport in organic materials.

  7. An adaptive vibration control method to suppress the vibration of the maglev train caused by track irregularities

    Science.gov (United States)

    Zhou, Danfeng; Yu, Peichang; Wang, Lianchun; Li, Jie

    2017-11-01

    The levitation gap of the urban maglev train is around 8 mm, which puts a rather high requirement on the smoothness of the track. In practice, it is found that the track irregularity may cause stability problems when the maglev train is traveling. In this paper, the dynamic response of the levitation module, which is the basic levitation structure of the urban maglev train, is investigated in the presence of track irregularities. Analyses show that due to the structural configuration of the levitation module, the vibration of the levitation gap may be amplified and "resonances" may be observed under some specified track wavelengths and train speeds; besides, it is found that the gap vibration of the rear levitation unit in a levitation module is more significant than that of the front levitation unit, which agrees well with practice. To suppress the vibration of the rear levitation gap, an adaptive vibration control method is proposed, which utilizes the information of the front levitation unit as a reference. A pair of mirror FIR (finite impulse response) filters are designed and tuned by an adaptive mechanism, and they produce a compensation signal for the rear levitation controller to cancel the disturbance brought by the track irregularity. Simulations under some typical track conditions, including the sinusoidal track profile, random track irregularity, as well as track steps, indicate that the adaptive vibration control scheme can significantly reduce the amplitude of the rear gap vibration, which provides a method to improve the stability and ride comfort of the maglev train.

  8. Free vibration of finite cylindrical shells by the variational method

    International Nuclear Information System (INIS)

    Campen, D.H. van; Huetink, J.

    1975-01-01

    The calculation of the free vibrations of circular cylindrical shells of finite length has been of engineer's interest for a long time. The motive for the present calculations originates from a particular type of construction at the inlet of a sodium heated superheater with helix heating bundle for SNR-Kalkar. The variational analysis is based on a modified energy functional for cylindrical shells, proposed by Koiter and resulting in Morley's equilibrium equations. As usual, the dispacement amplitude is assumed to be distributed harmonically in the circumferential direction of the shell. Following the method of Gontkevich, the dependence between the displacements of the shell middle surface and the axial shell co-ordinate is expressed approximately by a set of eigenfunctions of a free vibrating beam satisfying the desired boundary conditions. Substitution of this displacement expression into the virtual work equation for the complete shell leads to a characteristic equation determining the natural frequencies. The calculations are carried out for a clamped-clamped and a clamped-free cylinder. A comparison is given between the above numerical results and experimental and theoretical results from literature. In addition, the influence of surrounding fluid mass on the above frequencies is analysed for a clamped-clamped shell. The solution for the velocity potential used in this case differs from the solutions used in literature until now in that not only travelling waves in the axial direction are considered. (Auth.)

  9. Principles of Vibrational Spectroscopic Methods and their Application to Bioanalysis

    DEFF Research Database (Denmark)

    Moore, David S.; Jepsen, Peter Uhd; Volka, Karel

    2014-01-01

    imaging, fiber optic probes for in vivo and in vitro analysis, and methods to obtain depth profile information. The issue of fluorescence interference will be considered from the perspectives of excitation wavelength selection and data treatment. Methods to optimize signal to noise with minimized...... excitation laser irradiance to avoid sample damage are also discussed. This chapter then reviews applications of Raman spectroscopy to bioanalysis. Areas discussed include pathology, cytopathology, single-cell analysis, in vivo and in vitro tissue characterization, chemical composition of cell components...... as conformation of DNA and proteins), vibrations of inter- and intramolecular hydrogen bonds in solid-state materials, as well as picosecond dynamics in liquid solutions. This chapter reviews modern instrumentation and techniques for THz spectroscopy, with emphasis on applications in bioanalysis....

  10. 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.

  11. 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.

  12. 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

  13. Measuring frequency of one-dimensional vibration with video camera using electronic rolling shutter

    Science.gov (United States)

    Zhao, Yipeng; Liu, Jinyue; Guo, Shijie; Li, Tiejun

    2018-04-01

    Cameras offer a unique capability of collecting high density spatial data from a distant scene of interest. They can be employed as remote monitoring or inspection sensors to measure vibrating objects because of their commonplace availability, simplicity, and potentially low cost. A defect of vibrating measurement with the camera is to process the massive data generated by camera. In order to reduce the data collected from the camera, the camera using electronic rolling shutter (ERS) is applied to measure the frequency of one-dimensional vibration, whose frequency is much higher than the speed of the camera. Every row in the image captured by the ERS camera records the vibrating displacement at different times. Those displacements that form the vibration could be extracted by local analysis with sliding windows. This methodology is demonstrated on vibrating structures, a cantilever beam, and an air compressor to identify the validity of the proposed algorithm. Suggestions for applications of this methodology and challenges in real-world implementation are given at last.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-12-09

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

  15. Performance studies of the vibration wire monitor on the test stand with low energy electron beam

    International Nuclear Information System (INIS)

    Okabe, Kota; Yoshimoto, Masahiro; Kinsho, Michikazu

    2015-01-01

    In the high intensity proton accelerator as the Japan Proton Accelerator Research Complex (J-PARC) accelerators, serious radiation and residual dose is induced by a small beam loss such a beam halo. Therefore, diagnostics of the beam halo formation is one of the most important issues to control the beam loss. For the beam halo monitor, the vibration wire monitor (VWM) has a potential for investigating the beam halo and weak beam scanning. The VWM has a wide dynamic range, high resolution and the VWM is not susceptible to secondary electrons and electric noises. We have studied the VWM features as a new beam-halo monitor on the test stand with low energy electron gun. The frequency shift of the irradiated vibration wire was confirmed about wire material and the electron beam profile measured by using the VWM was consistent with the results of the Faraday cup measurement. Also we calculated a temperature distribution on the vibration wire which is irradiated by the electron beam with the numerical simulation. The simulations have been fairly successful in reproducing the transient of the irradiated vibration wire frequency measured by test stand experiments. In this paper, we will report a result of performance evaluation for the VWM on the test stands and discuss the VWM for beam halo diagnostic. (author)

  16. Bibliography on electron collisions with molecules: rotational and vibrational excitations, 1980-2000

    International Nuclear Information System (INIS)

    Itikawa, Yukikazu

    2001-04-01

    A list of papers reporting cross sections for electron-impact excitations of rotational and vibrational states of molecules is presented. The list includes both the theoretical and the experimental papers published in 1980-2000. An index by molecular species is provided at the end of the bibliography. (author)

  17. Vibrational and electronic investigations, thermodynamic parameters, HOMO and LUMO analysis on Lornoxicam by density functional theory

    Science.gov (United States)

    Suhasini, M.; Sailatha, E.; Gunasekaran, S.; Ramkumaar, G. R.

    2015-11-01

    The Fourier transform infrared (FT-IR) and FT-Raman spectra of Lornoxicam were recorded in the region 4000-450 cm-1 and 4000-50 cm-1 respectively. Density functional theory (DFT) has been used to calculate the optimized geometrical parameters, atomic charges, and vibrational wavenumbers and intensity of the vibrational bands. The computed vibrational wave numbers were compared with the FT-IR and FT-Raman experimental data. The computational calculations at DFT/B3LYP level with 6-31G(d,p) and 6-31++G(d,p) basis sets. The complete vibrational assignments were performed on the basis of the potential energy distribution (PED) of the Vibrational modes calculated using Vibrational Energy Distribution Analysis (VEDA 4) program. The oscillator's strength calculated by TD-DFT and Lornoxicam is approach complement with the experimental findings. The NMR chemical shifts 13C and 1H were recorded and calculated using the gauge independent atomic orbital (GIAO) method. The Natural charges and intermolecular contacts have been interpreted using Natural Bond orbital (NBO) analysis and the HOMO-LUMO energy gap has been calculated. The thermodynamic properties like Entropy, Enthalpy, Specific heat capacity and zero vibrational energy have been calculated. Besides, molecular electrostatic potential (MEP) was investigated using theoretical calculations.

  18. Vibrational frequencies and dephasing times in excited electronic states by femtosecond time-resolved four-wave mixing

    Science.gov (United States)

    Joo, Taiha; Albrecht, A. C.

    1993-06-01

    Time-resolved degenerate four-wave mixing (TRDFWM) for an electronically resonant system in a phase-matching configuration that measures population decay is reported. Because the spectral width of input light exceeds the vibrational Bohr frequency of a strong Raman active mode, the vibrational coherence produces strong oscillations in the TRDFWM signal together with the usual population decay from the excited electronic state. The data are analyzed in terms of a four-level system: ground and excited electronic states each split by a vibrational quantum of a Raman active mode. Absolute frequencies and their dephasing times of the vibrational modes at ≈590 cm -1 are obtained for the excited as well as the ground electronic state. The vibrational dephasing rate in the excited electronic state is about an order of magnitude faster than that in the ground state, the origin of which is speculated upon.

  19. A new drilling method-Earthworm-like vibration drilling.

    Science.gov (United States)

    Wang, Peng; Ni, Hongjian; Wang, Ruihe

    2018-01-01

    The load transfer difficulty caused by borehole wall friction severely limits the penetration rate and extended-reach limit of complex structural wells. A new friction reduction technology termed "earthworm-like drilling" is proposed in this paper to improve the load transfer of complex structural wells. A mathematical model based on a "soft-string" model is developed and solved. The results show that earthworm-like drilling is more effective than single-point vibration drilling. The amplitude and frequency of the pulse pressure and the installation position of the shakers have a substantial impact on friction reduction and load transfer. An optimization model based on the projection gradient method is developed and used to optimize the position of three shakers in a horizontal well. The results verify the feasibility and advantages of earthworm-like drilling, and establish a solid theoretical foundation for its application in oil field drilling.

  20. The separation of vibrational coherence from ground- and excited-electronic states in P3HT film

    International Nuclear Information System (INIS)

    Song, Yin; Hellmann, Christoph; Stingelin, Natalie; Scholes, Gregory D.

    2015-01-01

    Concurrence of the vibrational coherence and ultrafast electron transfer has been observed in polymer/fullerene blends. However, it is difficult to experimentally investigate the role that the excited-state vibrational coherence plays during the electron transfer process since vibrational coherence from the ground- and excited-electronic states is usually temporally and spectrally overlapped. Here, we performed 2-dimensional electronic spectroscopy (2D ES) measurements on poly(3-hexylthiophene) (P3HT) films. By Fourier transforming the whole 2D ES datasets (S(λ 1 ,T ~ 2 ,λ 3 )) along the population time (T ~ 2 ) axis, we develop and propose a protocol capable of separating vibrational coherence from the ground- and excited-electronic states in 3D rephasing and nonrephasing beating maps (S(λ 1 ,ν ~ 2 ,λ 3 )). We found that the vibrational coherence from pure excited electronic states appears at positive frequency (+ν ~ 2 ) in the rephasing beating map and at negative frequency (−ν ~ 2 ) in the nonrephasing beating map. Furthermore, we also found that vibrational coherence from excited electronic state had a long dephasing time of 244 fs. The long-lived excited-state vibrational coherence indicates that coherence may be involved in the electron transfer process. Our findings not only shed light on the mechanism of ultrafast electron transfer in organic photovoltaics but also are beneficial for the study of the coherence effect on photoexcited dynamics in other systems

  1. The separation of vibrational coherence from ground- and excited-electronic states in P3HT film

    KAUST Repository

    Song, Yin

    2015-06-07

    © 2015 AIP Publishing LLC. Concurrence of the vibrational coherence and ultrafast electron transfer has been observed in polymer/fullerene blends. However, it is difficult to experimentally investigate the role that the excited-state vibrational coherence plays during the electron transfer process since vibrational coherence from the ground- and excited-electronic states is usually temporally and spectrally overlapped. Here, we performed 2-dimensional electronic spectroscopy (2D ES) measurements on poly(3-hexylthiophene) (P3HT) films. By Fourier transforming the whole 2D ES datasets (S (λ 1, T∼ 2, λ 3)) along the population time (T∼ 2) axis, we develop and propose a protocol capable of separating vibrational coherence from the ground- and excited-electronic states in 3D rephasing and nonrephasing beating maps (S (λ 1, ν∼ 2, λ 3)). We found that the vibrational coherence from pure excited electronic states appears at positive frequency (+ ν∼ 2) in the rephasing beating map and at negative frequency (- ν∼ 2) in the nonrephasing beating map. Furthermore, we also found that vibrational coherence from excited electronic state had a long dephasing time of 244 fs. The long-lived excited-state vibrational coherence indicates that coherence may be involved in the electron transfer process. Our findings not only shed light on the mechanism of ultrafast electron transfer in organic photovoltaics but also are beneficial for the study of the coherence effect on photoexcited dynamics in other systems.

  2. Antibonding intermediate state in the theory of vibrational excitation of diatomic molecules by slow electrons

    International Nuclear Information System (INIS)

    Kazanskii, A.K.

    1982-01-01

    An exactly solvable model is constructed for the description of the processes that take place when a slow electron collides with a diatomic molecule (vibrational excitation, associative detachment, and dissociative attachment). As a particular model of the variant, the case of an antibonding (virtual) state of an intermediate state is considered, and a term of this state is parametrized in a very simple manner. The vibrational excitation and dissociative attachment are calculated for a system corresponding to the HCl molecule. The results are in good qualitative agreement with experiment

  3. Fatigue failure of pb-free electronic packages under random vibration loads

    Science.gov (United States)

    Saravanan, S.; Prabhu, S.; Muthukumar, R.; Gowtham Raj, S.; Arun Veerabagu, S.

    2018-03-01

    The electronic equipment are used in several fields like, automotive, aerospace, consumer goods where they are subjected to vibration loads leading to failure of solder joints used in these equipment. This paper presents a methodology to predict the fatigue life of Pb-free surface mounted BGA packages subjected to random vibrations. The dynamic characteristics of the PCB, such as the natural frequencies, mode shapes and damping ratios were determined. Spectrum analysis was used to determine the stress response of the critical solder joint and the cumulative fatigue damage accumulated by the solder joint for a specific duration was determined.

  4. Structural, vibrational and nuclear magnetic resonance investigations of 4-bromoisoquinoline by experimental and theoretical DFT methods.

    Science.gov (United States)

    Arjunan, V; Thillai Govindaraja, S; Jayapraksh, A; Mohan, S

    2013-04-15

    Quantum chemical calculations of energy, structural parameters and vibrational wavenumbers of 4-bromoisoquinoline (4BIQ) were carried out by using B3LYP method using 6-311++G(**), cc-pVTZ and LANL2DZ basis sets. The optimised geometrical parameters obtained by DFT calculations are in good agreement with electron diffraction data. Interpretations of the experimental FTIR and FT-Raman spectra have been reported with the aid of the theoretical wavenumbers. The differences between the observed and scaled wavenumber values of most of the fundamentals are very small. The thermodynamic parameters have also been computed. Electronic properties of the molecule were discussed through the molecular electrostatic potential surface, HOMO-LUMO energy gap and NBO analysis. To provide precise assignments of (1)H and (13)CNMR spectra, isotropic shielding and chemical shifts were calculated with the Gauge-Invariant Atomic Orbital (GIAO) method. Copyright © 2013 Elsevier B.V. All rights reserved.

  5. Research on vibration signal analysis and extraction method of gear local fault

    Science.gov (United States)

    Yang, X. F.; Wang, D.; Ma, J. F.; Shao, W.

    2018-02-01

    Gear is the main connection parts and power transmission parts in the mechanical equipment. If the fault occurs, it directly affects the running state of the whole machine and even endangers the personal safety. So it has important theoretical significance and practical value to study on the extraction of the gear fault signal and fault diagnosis of the gear. In this paper, the gear local fault as the research object, set up the vibration model of gear fault vibration mechanism, derive the vibration mechanism of the gear local fault and analyzes the similarities and differences of the vibration signal between the gear non fault and the gears local faults. In the MATLAB environment, the wavelet transform algorithm is used to denoise the fault signal. Hilbert transform is used to demodulate the fault vibration signal. The results show that the method can denoise the strong noise mechanical vibration signal and extract the local fault feature information from the fault vibration signal..

  6. Electronic supply system ''BING'' for vibrating wire strain gauges

    International Nuclear Information System (INIS)

    Himmler, H.

    1976-02-01

    In the Austrian project Prestressed Concrete Pressure Vessel-High Temperature Helium Test Rig a great number of strain gauges is to be monitored continuously. For these measurements an electronic supply equipment had to be developed and built. The problem was solved by the ''BING'' system, which transmits an electromagnetic impulse to the string of the strain gauge thus enabling a measurement of frequency and temperature. The equipment has been in use for 1 1/2 years without major troubles. (author)

  7. Excitation of vibrational quanta in furfural by intermediate-energy electrons

    Science.gov (United States)

    Jones, D. B.; Neves, R. F. C.; Lopes, M. C. A.; da Costa, R. F.; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; García, G.; Blanco, F.; Brunger, M. J.

    2015-12-01

    We report cross sections for electron-impact excitation of vibrational quanta in furfural, at intermediate incident electron energies (20, 30, and 40 eV). The present differential cross sections are measured over the scattered electron angular range 10°-90°, with corresponding integral cross sections subsequently being determined. Furfural is a viable plant-derived alternative to petrochemicals, being produced via low-temperature plasma treatment of biomass. Current yields, however, need to be significantly improved, possibly through modelling, with the present cross sections being an important component of such simulations. To the best of our knowledge, there are no other cross sections for vibrational excitation of furfural available in the literature, so the present data are valuable for this important molecule.

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

    Science.gov (United States)

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

    2018-04-01

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

  9. Recycler Electron Cooling Project: Mechanical vibrations in the Pelletron and their effect on the beam

    International Nuclear Information System (INIS)

    Kazakevich, Grigory M.; Burov, A.; Boffo, C.; Joireman, P.; Saewert, G.; Schmidt, C.W.; Shemyakin, A.; Fermilab

    2005-01-01

    The Fermilab's Recycler ring will employ an electron cooler to cool stored 8.9 GeV antiprotons [1]. The cooler is based on an electrostatic accelerator, Pelletron [2], working in an energy-recovery regime. A full-scale prototype of the cooler has been assembled and commissioned in a separate building [3]. The main goal of the experiments with the prototype was to demonstrate stable operation with a 3.5 MeV, 0.5 A DC electron beam while preserving a high beam quality in the cooling section. The quality is characterized, first of all, by a spread of electron velocities in the cooling section, which may be significantly affected by mechanical vibration of the Pelletron elements. This paper describes the results of vibration measurements in the Pelletron terminal and correlates them with the beam motion in the cooling section

  10. Excitation of vibrational quanta in furfural by intermediate-energy electrons

    Energy Technology Data Exchange (ETDEWEB)

    Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, MG (Brazil); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, MG (Brazil); Costa, R. F. da [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, 13083-859 São Paulo (Brazil); Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Santo André, 09210-580 São Paulo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo, São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil); Lima, M. A. P. [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, 13083-859 São Paulo (Brazil); García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); and others

    2015-12-14

    We report cross sections for electron-impact excitation of vibrational quanta in furfural, at intermediate incident electron energies (20, 30, and 40 eV). The present differential cross sections are measured over the scattered electron angular range 10°–90°, with corresponding integral cross sections subsequently being determined. Furfural is a viable plant-derived alternative to petrochemicals, being produced via low-temperature plasma treatment of biomass. Current yields, however, need to be significantly improved, possibly through modelling, with the present cross sections being an important component of such simulations. To the best of our knowledge, there are no other cross sections for vibrational excitation of furfural available in the literature, so the present data are valuable for this important molecule.

  11. Excitation of vibrational quanta in furfural by intermediate-energy electrons

    International Nuclear Information System (INIS)

    Jones, D. B.; Neves, R. F. C.; Lopes, M. C. A.; Costa, R. F. da; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; García, G.

    2015-01-01

    We report cross sections for electron-impact excitation of vibrational quanta in furfural, at intermediate incident electron energies (20, 30, and 40 eV). The present differential cross sections are measured over the scattered electron angular range 10°–90°, with corresponding integral cross sections subsequently being determined. Furfural is a viable plant-derived alternative to petrochemicals, being produced via low-temperature plasma treatment of biomass. Current yields, however, need to be significantly improved, possibly through modelling, with the present cross sections being an important component of such simulations. To the best of our knowledge, there are no other cross sections for vibrational excitation of furfural available in the literature, so the present data are valuable for this important molecule

  12. Translational, rotational, vibrational and electron temperatures of a gliding arc discharge

    DEFF Research Database (Denmark)

    Zhu, Jiajian; Ehn, Andreas; Gao, Jinlong

    2017-01-01

    , 0) band was used to simulate the rotational temperature (Tr) of the gliding arc discharge whereas the NO A–X (1, 0) and (0, 1) bands were used to determine its vibrational temperature (Tv). The instantaneous reduced electric field strength E/N was obtained by simultaneously measuring......Translational, rotational, vibrational and electron temperatures of a gliding arc discharge in atmospheric pressure air were experimentally investigated using in situ, non-intrusive optical diagnostic techniques. The gliding arc discharge was driven by a 35 kHz alternating current (AC) power source...... and operated in a glow-type regime. The two-dimensional distribution of the translational temperature (Tt) of the gliding arc discharge was determined using planar laser-induced Rayleigh scattering. The rotational and vibrational temperatures were obtained by simulating the experimental spectra. The OH A–X (0...

  13. A theoretical study on the mechanism of electronic to vibrational energy transfer in Hg/3P/ + CO

    Science.gov (United States)

    Kato, S.; Jaffe, R. L.; Komornicki, A.; Morokuma, K.

    1983-01-01

    The mechanism of electronic-to-vibrational (E-V) energy transfer in Hg(3P) + CO collisions has been studied theoretically. The configuration interaction (CI) method was employed to calculate potential energy surfaces of the collision system. A simplified theoretical model, based on the reaction coordinate concept and the calculated potential energy characteristics, was used to discuss the mechanism of the singlet-triplet transition and the energy disposal in the collision. The results obtained were that: (a) the quenching process processed via a collision complex mechanism; and that (b) the triplet-singlet transition occurs near the collinear geometry. A model classical trajectory calculation gives a product CO vibrational distribution in good agreement with the experimental result.

  14. Non-traditional vibration mitigation methods for reciprocating compressor system

    NARCIS (Netherlands)

    Eijk, A.; Lange, T.J. de; Vreugd, J. de; Slis, E.J.P.

    2016-01-01

    Reciprocating compressors generate vibrations caused by pulsation-induced forces, mechanical (unbalanced) free forces and moments, crosshead guide forces and cylinder stretch forces. The traditional way of mitigating the vibration and cyclic stress levels to avoid fatigue failure of parts of the

  15. 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.

  16. Vibrationally inelastic electron scattering in a two-channel approximation

    Czech Academy of Sciences Publication Activity Database

    Čársky, Petr; Čurík, Roman

    2008-01-01

    Roč. 41, č. 5 (2008), , , 055203-1-6 ISSN 0953-4075 R&D Projects: GA AV ČR IAA100400501; GA AV ČR 1ET400400413; GA AV ČR KJB400400803; GA ČR GA202/08/0631; GA MŠk ME 857 Institutional research plan: CEZ:AV0Z40400503 Keywords : inelastic electron scattering * two-channel approximation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.089, year: 2008

  17. Effect of electron-vibration interactions on the thermoelectric efficiency of molecular junctions.

    Science.gov (United States)

    Hsu, Bailey C; Chiang, Chi-Wei; Chen, Yu-Chang

    2012-07-11

    From first-principles approaches, we investigate the thermoelectric efficiency of a molecular junction where a benzene molecule is connected directly to the platinum electrodes. We calculate the thermoelectric figure of merit ZT in the presence of electron-vibration interactions with and without local heating under two scenarios: linear response and finite bias regimes. In the linear response regime, ZT saturates around the electrode temperature T(e) = 25 K in the elastic case, while in the inelastic case we observe a non-saturated and a much larger ZT beyond T(e) = 25 K attributed to the tail of the Fermi-Dirac distribution. In the finite bias regime, the inelastic effects reveal the signatures of the molecular vibrations in the low-temperature regime. The normal modes exhibiting structures in the inelastic profile are characterized by large components of atomic vibrations along the current density direction on top of each individual atom. In all cases, the inclusion of local heating leads to a higher wire temperature T(w) and thus magnifies further the influence of the electron-vibration interactions due to the increased number of local phonons.

  18. A computational perspective of vibrational and electronic analysis of potential photosensitizer 2-chlorothioxanthone

    Science.gov (United States)

    Ali, Narmeen; Mansha, Asim; Asim, Sadia; Zahoor, Ameer Fawad; Ghafoor, Sidra; Akbar, Muhammad Usman

    2018-03-01

    This paper deals with combined theoretical and experimental study of geometric, electronic and vibrational properties of 2-chlorothioxanthone (CTX) molecule which is potential photosensitizer. The FT-IR spectrum of CTX in solid phase was recorded in 4000-400 cm-1 region. The UV-Vis. absorption spectrum was also recorded in the laboratory as well as computed at DFT/B3LYP level in five different phases viz. gas, water, DMSO, acetone and ethanol. The quantum mechanics based theoretical IR and Raman spectra were also calculated for the title compound employing HF and DFT functional with 3-21G+, 6-31G+ and 6-311G+, 6-311G++ basis sets, respectively, and assignment of each vibrational frequency has been done on the basis of potential energy distribution (PED). A comparison has been made between theoretical and experimental vibrational spectra as well as for the UV-Vis. absorption spectra. The computed infra red & Raman spectra by DFT compared with experimental spectra along with reliable vibrational assignment based on PED. The calculated electronic properties, results of natural bonding orbital (NBO) analysis, charge distribution, dipole moment and energies have been reported in the paper. Bimolecular quenching of triplet state of CTX in the presence of triethylamine, 2-propanol triethylamine and diazobicyclooctane (DABCO) reflect the interactions between them. The bimolecular quenching rate constant is fastest for interaction of 3CTX in the presence of DABCO reflecting their stronger interactions.

  19. A method for regulating strong nonlinear vibration energy of the flexible arm

    Directory of Open Access Journals (Sweden)

    Yushu Bian

    2015-07-01

    Full Text Available For an oscillating system, large amplitude indicates strong vibration energy. In this article, modal interaction is used as a useful means to regulate strong nonlinear vibration energy of the flexible arm undergoing rigid motion. A method is put forward to migrate and dissipate vibration energy based on modal interaction. By means of multiple-scale perturbation analysis, it is proven that internal resonance can be successfully established between modes of the flexible arm and the vibration absorber. Through examples and analyses, it is verified that this control method is effective in regulating strong vibration energy and can be used to suppress strong nonlinear vibration of the flexible arm undergoing rigid motion.

  20. Signal Processing Methods for Removing the Effects of Whole Body Vibration upon Speech

    Science.gov (United States)

    Bitner, Rachel M.; Begault, Durand R.

    2014-01-01

    Humans may be exposed to whole-body vibration in environments where clear speech communications are crucial, particularly during the launch phases of space flight and in high-performance aircraft. Prior research has shown that high levels of vibration cause a decrease in speech intelligibility. However, the effects of whole-body vibration upon speech are not well understood, and no attempt has been made to restore speech distorted by whole-body vibration. In this paper, a model for speech under whole-body vibration is proposed and a method to remove its effect is described. The method described reduces the perceptual effects of vibration, yields higher ASR accuracy scores, and may significantly improve intelligibility. Possible applications include incorporation within communication systems to improve radio-communication systems in environments such a spaceflight, aviation, or off-road vehicle operations.

  1. The impact of accelerometer mounting methods on the level of vibrations recorded at ground surface

    Directory of Open Access Journals (Sweden)

    Krzysztof Czech

    2014-08-01

    Full Text Available The paper presents the results of field research based on the measurements of accelerations recorded at ground surface. The source of the vibration characterized by high repetition rate of pulse parameters was light falling weight deflectometer ZFG-01. Measurements of vibrations have been carried out using top quality high-precision measuring system produced by Brüel&Kiær. Accelerometers were mounted on a sandy soil surface at the measuring points located radially at 5-m and 10-m distances from the source of vibration. The paper analyses the impact that the method of mounting accelerometers on the ground has on the level of the recorded values of accelerations of vibrations. It has been shown that the method of attaching the sensor to the surface of the ground is crucial for the credibility of the performed measurements.[b]Keywords[/b]: geotechnics, surface vibrations, ground, vibration measurement

  2. Fuel Rod Vibration Measurement Method using a Flap and its Verification

    Energy Technology Data Exchange (ETDEWEB)

    Yoo, Joo Young; Park, Nam Gyu; Suh, Jung Min; Jeon, Kyeong Lak [KEPCO NF Co., Daejeon (Korea, Republic of)

    2011-10-15

    Flow-induced vibration is a critical factor for the mechanical integrity of a fuel rod. This vibration can cause leaked fuel through the mechanism, such as grid to rod fretting. To minimize the failures caused by flow-induced vibration, a robust design is needed which takes into account vibrational characteristics. That is, the spacer grid design should be developed to avoid any excessive vibration. On the one hand, if fuel rod vibration can be measured, an estimation of the excitation forces, which are a critical cause of rod failure, should be possible. Therefore, by applying an external force, flow-induced vibration can be roughly estimated when the fuel rod vibration model is used. KEPCO Nuclear Fuel developed the test loop to research flow-induced vibration as shown in Fig.1. The investigation flow-induced vibration (INFINIT) - the test facility - can measure the grid strap vibration and pressure drop of a 5x5 small scale fuel bundle. Basically, using a Laser Doppler Vibrometer (LDV), the vibration of a structure immersed in high speed fluid can be measured. Grid strap vibration is easily measured using an LDV. However, it is quite difficult to measure fuel rod vibration because of the round surface shape of the rods. In addition, measuring current method using the LDV, it was only possible to directly measure fuel rod vibration at the first row of the bundle as the rods behind the first row are obscured. To solve this problem, a thin flap, as shown in Fig. 2(a) can be used as a reflecting target, gaining access to rods within the bundle. The flap is attached to the fuel rod, as in Fig. 2(b). As a result, most of the inner rod vibration can be measured. Before using a flap to measure fuel rod vibration, a verification process was needed to show whether the LDV signal from the flap vibration provided equivalent and reliable signals. Therefore, impact testing was carried out on the fuel rod using a flap. The LDV signals were then compared with accelerometer

  3. Development of the method to measure vibrational stress of small-bore piping with contactless displacement sensor. Accuracy confirmation by vibrational experiment using branch pipe

    International Nuclear Information System (INIS)

    Tsuji, Takashi; Maekawa, Akira; Takahashi, Tsuneo

    2013-01-01

    In nuclear power plants, vibrational stress of piping is measured to prevent its fatigue failures. Easier handling and more efficient performance is desirable for the measurement of vibrational stress. The authors have proposed a method to measure vibrational stress using optical contactless displacement sensors, and have developed a device based on the method. In addition, they downsized the device and improved the method to allow its use for measurements even in narrow spaces in the plants. In this study, vibrational experiment using branch pipes and the device was conducted to confirm the measurement accuracy of the improved method. It was found that the improved method have sufficient accuracy for screening to evaluate the vibrational stress. It was also found that this measurement method was thought to be susceptible to the vibration of main pipe. So a technique was proposed to improve the accuracy of the measurement in this paper. (author)

  4. PGOPHER: A program for simulating rotational, vibrational and electronic spectra

    Science.gov (United States)

    Western, Colin M.

    2017-01-01

    The PGOPHER program is a general purpose program for simulating and fitting molecular spectra, particularly the rotational structure. The current version can handle linear molecules, symmetric tops and asymmetric tops and many possible transitions, both allowed and forbidden, including multiphoton and Raman spectra in addition to the common electric dipole absorptions. Many different interactions can be included in the calculation, including those arising from electron and nuclear spin, and external electric and magnetic fields. Multiple states and interactions between them can also be accounted for, limited only by available memory. Fitting of experimental data can be to line positions (in many common formats), intensities or band contours and the parameters determined can be level populations as well as rotational constants. PGOPHER is provided with a powerful and flexible graphical user interface to simplify many of the tasks required in simulating, understanding and fitting molecular spectra, including Fortrat diagrams and energy level plots in addition to overlaying experimental and simulated spectra. The program is open source, and can be compiled with open source tools. This paper provides a formal description of the operation of version 9.1.

  5. Enantioselective semi-preparative HPLC separation of PCB metabolites and their absolute structures determined by electronic and vibrational circular dichroism

    Energy Technology Data Exchange (ETDEWEB)

    Tuan, H.P.; Larsson, C.; Huehnerfuss, H. [Hamburg Univ. (Germany). Inst. fuer Organische Chemie; Hoffmann, F.; Froeba, M. [Giessen Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Bergmann, Aa. [Stockholm Univ. (Sweden). Dept. of Environmental Chemistry

    2004-09-15

    The present paper represents a first result of an ongoing systematic study of atropisomeric methylsulfonyl, methylthionyl, hydroxy, and methoxy metabolites of environmentally most relevant PCBs. This involves semi-preparative enantioselective HPLC separation to obtain pure atropisomers from synthesized PCB metabolite standards, their configuration estimation using the electronic circular dichroism (UV-CD) method and the determination / confirmation of these absolute configurations applying the combined vibrational circular dichroism (VCD) / ab initio approach. The following substances have been investigated: 4-HO-, 4-MeO-, 4-MeS-, 4-MeSO2-, 3-MeS- and 3-MeSO{sub 2}-CB149.

  6. Time delay for resonant vibrational excitation in electron--molecule collisions

    International Nuclear Information System (INIS)

    Gauyacq, J.P.

    1990-01-01

    An analysis of the time delay associated with vibrational excitation in electron--molecule collision is presented. It consists of a direct study of the time dependence of the process for three model systems. An electron wave packet, that is narrow in time, is sent on the target and the amplitudes in the different inelastic channels are studied as functions of time. The time delay is found to correspond to very different time effects: broadenings, shifts in time of the wave packet, but also complex distortions that cannot be represented by a time delay. The direct analysis of the scattered wave also provides new insights into the vibrational excitation process. It should be a useful tool to analyze complex collision processes

  7. Quantum inelastic electron-vibration scattering in molecular wires: Landauer-like versus Green's function approaches and temperature effects

    International Nuclear Information System (INIS)

    Ness, H

    2006-01-01

    In this paper, we consider the problem of inelastic electron transport in molecular systems in which both electronic and vibrational degrees of freedom are considered on the quantum level. The electronic transport properties of the corresponding molecular nanojunctions are obtained by means of a non-perturbative Landauer-like multi-channel inelastic scattering technique. The connections between this approach and other Green's function techniques that are useful in particular cases are studied in detail. The validity of the wide-band approximation, the effects of the lead self-energy and the dynamical polaron shift are also studied for a wide range of parameters. As a practical application of the method, we consider the effects of the temperature on the conductance properties of molecular breakjunctions in relation to recent experiments

  8. Conservation of vibrational coherence in ultrafast electronic relaxation: The case of diplatinum complexes in solution

    Czech Academy of Sciences Publication Activity Database

    Monni, R.; Auböck, G.; Kinschel, D.; Aziz-Lange, K. M.; Gray, H. B.; Vlček, Antonín; Chergui, M.

    2017-01-01

    Roč. 683, SEP 2017 (2017), s. 112-120 ISSN 0009-2614 R&D Projects: GA MŠk LD14129; GA ČR GA17-01137S Grant - others:COST(XE) CM1201 Institutional support: RVO:61388955 Keywords : vibrational energy * electronic energy * diplatinum complexes Subject RIV: CG - Electrochemistry OBOR OECD: Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis) Impact factor: 1.815, year: 2016

  9. H2+ embedded in a Debye plasma: Electronic and vibrational properties

    OpenAIRE

    Angel, M. L.; Montgomery Jr, H. E.

    2010-01-01

    The effect of plasma screening on the electronic and vibrational properties of the H2+ molecular ion was analyzed within the Born-Oppenheimer approximation. When a molecule is embedded in a plasma, the plasma screens the electrostatic interactions. This screening is accounted for in the Schr\\"odinger equation by replacing the Coulomb potentials with Yukawa potentials that incorporate the Debye length as a screening parameter. Variational expansions in confocal elliptical coordinates were used...

  10. Dissociative electron attachment to vibrationally excited H2 molecules involving the 2Σg+ resonant Rydberg electronic state

    International Nuclear Information System (INIS)

    Celiberto, R.; Janev, R.K.; Wadehra, J.M.; Tennyson, J.

    2012-01-01

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

  11. Quantitative Diagnosis of Rotor Vibration Fault Using Process Power Spectrum Entropy and Support Vector Machine Method

    Directory of Open Access Journals (Sweden)

    Cheng-Wei Fei

    2014-01-01

    Full Text Available To improve the diagnosis capacity of rotor vibration fault in stochastic process, an effective fault diagnosis method (named Process Power Spectrum Entropy (PPSE and Support Vector Machine (SVM (PPSE-SVM, for short method was proposed. The fault diagnosis model of PPSE-SVM was established by fusing PPSE method and SVM theory. Based on the simulation experiment of rotor vibration fault, process data for four typical vibration faults (rotor imbalance, shaft misalignment, rotor-stator rubbing, and pedestal looseness were collected under multipoint (multiple channels and multispeed. By using PPSE method, the PPSE values of these data were extracted as fault feature vectors to establish the SVM model of rotor vibration fault diagnosis. From rotor vibration fault diagnosis, the results demonstrate that the proposed method possesses high precision, good learning ability, good generalization ability, and strong fault-tolerant ability (robustness in four aspects of distinguishing fault types, fault severity, fault location, and noise immunity of rotor stochastic vibration. This paper presents a novel method (PPSE-SVM for rotor vibration fault diagnosis and real-time vibration monitoring. The presented effort is promising to improve the fault diagnosis precision of rotating machinery like gas turbine.

  12. Recursive-operator method in vibration problems for rod systems

    Science.gov (United States)

    Rozhkova, E. V.

    2009-12-01

    Using linear differential equations with constant coefficients describing one-dimensional dynamical processes as an example, we show that the solutions of these equations and systems are related to the solution of the corresponding numerical recursion relations and one does not have to compute the roots of the corresponding characteristic equations. The arbitrary functions occurring in the general solution of the homogeneous equations are determined by the initial and boundary conditions or are chosen from various classes of analytic functions. The solutions of the inhomogeneous equations are constructed in the form of integro-differential series acting on the right-hand side of the equation, and the coefficients of the series are determined from the same recursion relations. The convergence of formal solutions as series of a more general recursive-operator construction was proved in [1]. In the special case where the solutions of the equation can be represented in separated variables, the power series can be effectively summed, i.e., expressed in terms of elementary functions, and coincide with the known solutions. In this case, to determine the natural vibration frequencies, one obtains algebraic rather than transcendental equations, which permits exactly determining the imaginary and complex roots of these equations without using the graphic method [2, pp. 448-449]. The correctness of the obtained formulas (differentiation formulas, explicit expressions for the series coefficients, etc.) can be verified directly by appropriate substitutions; therefore, we do not prove them here.

  13. Reduction method for residual stress of welded joint using random vibration

    International Nuclear Information System (INIS)

    Aoki, Shigeru; Nishimura, Tadashi; Hiroi, Tetsumaro

    2005-01-01

    Welded joints are used for construction of many structures. Residual stress is induced near the bead caused by locally given heat. Tensile residual stress on the surface may reduce fatigue strength. In this paper, a new method for reduction of residual stress using vibration during welding is proposed. As vibrational load, random vibration, white noise and filtered white noise are used. Two thin plates are butt-welded. Residual stress is measured with a paralleled beam X-ray diffractometer with scintillation counter after removing quenched scale chemically. It is concluded that tensile residual stress near the bead is reduced by using random vibration during welding

  14. Ab initio calculation of the cross sections for electron impact vibrational excitation of CO via the {sup 2}Π shape resonance

    Energy Technology Data Exchange (ETDEWEB)

    Falcetta, Michael F., E-mail: mffalcetta@gcc.edu; Fair, Mark C.; Tharnish, Emily M.; Williams, Lorna M.; Hayes, Nathan J. [Department of Chemistry, Grove City College, Grove City, Pennsylvania 16127 (United States); Jordan, Kenneth D. [Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260 (United States)

    2016-03-14

    The stabilization method is used to calculate the complex potential energy curve of the {sup 2}Π state of CO{sup −} as a function of bond length, with the refinement that separate potentials are determined for p-wave and d-wave attachment and detachment of the excess electron. Using the resulting complex potentials, absolute vibrational excitation cross sections are calculated as a function of electron energy and scattering angle. The calculated cross sections agree well with experiment.

  15. Impact of environmentally induced fluctuations on quantum mechanically mixed electronic and vibrational pigment states in photosynthetic energy transfer and 2D electronic spectra

    Energy Technology Data Exchange (ETDEWEB)

    Fujihashi, Yuta; Ishizaki, Akihito, E-mail: ishizaki@ims.ac.jp [Institute for Molecular Science, National Institutes of Natural Sciences, Okazaki 444-8585 (Japan); Fleming, Graham R. [Department of Chemistry, University of California, Berkeley and Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2015-06-07

    Recently, nuclear vibrational contribution signatures in two-dimensional (2D) electronic spectroscopy have attracted considerable interest, in particular as regards interpretation of the oscillatory transients observed in light-harvesting complexes. These transients have dephasing times that persist for much longer than theoretically predicted electronic coherence lifetime. As a plausible explanation for this long-lived spectral beating in 2D electronic spectra, quantum-mechanically mixed electronic and vibrational states (vibronic excitons) were proposed by Christensson et al. [J. Phys. Chem. B 116, 7449 (2012)] and have since been explored. In this work, we address a dimer which produces little beating of electronic origin in the absence of vibronic contributions, and examine the impact of protein-induced fluctuations upon electronic-vibrational quantum mixtures by calculating the electronic energy transfer dynamics and 2D electronic spectra in a numerically accurate manner. It is found that, at cryogenic temperatures, the electronic-vibrational quantum mixtures are rather robust, even under the influence of the fluctuations and despite the small Huang-Rhys factors of the Franck-Condon active vibrational modes. This results in long-lasting beating behavior of vibrational origin in the 2D electronic spectra. At physiological temperatures, however, the fluctuations eradicate the mixing, and hence, the beating in the 2D spectra disappears. Further, it is demonstrated that such electronic-vibrational quantum mixtures do not necessarily play a significant role in electronic energy transfer dynamics, despite contributing to the enhancement of long-lived quantum beating in 2D electronic spectra, contrary to speculations in recent publications.

  16. Selective excitation of a vibrational level within the electronic ground state of a polyatomic molecule with ultra pulses

    CSIR Research Space (South Africa)

    de Clercq, L

    2010-09-01

    Full Text Available Coherent control of the upper vibrational level populations in the electronic ground state of a polyatomic molecule was simulated. Results indicate that selective excitation of a specific upper state level is possible...

  17. Intermediate energy cross sections for electron-impact vibrational-excitation of pyrimidine

    Energy Technology Data Exchange (ETDEWEB)

    Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Ellis-Gibbings, L.; García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); Nixon, K. L. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); School of Biology, Chemistry and Forensic Science, University of Wolverhampton, Wolverhampton WV1 1LY (United Kingdom); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)

    2015-09-07

    We report differential cross sections (DCSs) and integral cross sections (ICSs) for electron-impact vibrational-excitation of pyrimidine, at incident electron energies in the range 15–50 eV. The scattered electron angular range for the DCS measurements was 15°–90°. The measurements at the DCS-level are the first to be reported for vibrational-excitation in pyrimidine via electron impact, while for the ICS we extend the results from the only previous condensed-phase study [P. L. Levesque, M. Michaud, and L. Sanche, J. Chem. Phys. 122, 094701 (2005)], for electron energies ⩽12 eV, to higher energies. Interestingly, the trend in the magnitude of the lower energy condensed-phase ICSs is much smaller when compared to the corresponding gas phase results. As there is no evidence for the existence of any shape-resonances, in the available pyrimidine total cross sections [Baek et al., Phys. Rev. A 88, 032702 (2013); Fuss et al., ibid. 88, 042702 (2013)], between 10 and 20 eV, this mismatch in absolute magnitude between the condensed-phase and gas-phase ICSs might be indicative for collective-behaviour effects in the condensed-phase results.

  18. Detection of water and its derivatives on individual nanoparticles using vibrational electron energy-loss spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Crozier, Peter A., E-mail: crozier@asu.edu [School for the Engineering of Matter, Transport and Energy, Arizona State University, 501 E. Tyler Mall, Tempe, AZ 85287-6106 (United States); Aoki, Toshihiro [LeRoy Eyring Center for Solid State Science, Arizona State University, Tempe, AZ 85287-1704 (United States); Liu, Qianlang [School for the Engineering of Matter, Transport and Energy, Arizona State University, 501 E. Tyler Mall, Tempe, AZ 85287-6106 (United States)

    2016-10-15

    Understanding the role of water, hydrate and hydroxyl species on nanoparticle surfaces and interfaces is very important in both physical and life sciences. Detecting the presence of oxygen-hydrogen species with nanometer resolution is extremely challenging at present. Here we show that the recently developed vibrational electron energy-loss spectroscopy using subnanometer focused electron beams can be employed to spectroscopically identify the local presence and variation of OH species on nanoscale surfaces. The hydrogen-oxygen fingerprint can be correlated with highly localized structural and morphological information obtained from electron imaging. Moreover, the current approach exploits the aloof beam mode of spectral acquisition which does not require direct electron irradiation of the sample thus greatly reducing beam damage to the OH bond. These findings open the door for using electron microscopy to probe local hydroxyl and hydrate species on nanoscale organic and inorganic structures. - Highlights: • High spatial resolution spectroscopic detection of water related species in nanoparticles. • Detection of OH stretch modes with vibrational EELS. • Differentiation between hydrate and hydroxide species on or on nanoparticles. • Detection of hydrate on a single 60 nm oxide nanoparticle of MgO. • Use of aloof beam EELS to minimize radiation damage.

  19. Vibration Prediction Method of Electric Machines by using Experimental Transfer Function and Magnetostatic Finite Element Analysis

    International Nuclear Information System (INIS)

    Saito, A; Kuroishi, M; Nakai, H

    2016-01-01

    This paper concerns the noise and structural vibration caused by rotating electric machines. Special attention is given to the magnetic-force induced vibration response of interior-permanent magnet machines. In general, to accurately predict and control the vibration response caused by the electric machines, it is inevitable to model not only the magnetic force induced by the fluctuation of magnetic fields, but also the structural dynamic characteristics of the electric machines and surrounding structural components. However, due to complicated boundary conditions and material properties of the components, such as laminated magnetic cores and varnished windings, it has been a challenge to compute accurate vibration response caused by the electric machines even after their physical models are available. In this paper, we propose a highly-accurate vibration prediction method that couples experimentally-obtained discrete structural transfer functions and numerically-obtained distributed magnetic-forces. The proposed vibration synthesis methodology has been applied to predict vibration responses of an interior permanent magnet machine. The results show that the predicted vibration response of the electric machine agrees very well with the measured vibration response for several load conditions, for wide frequency ranges. (paper)

  20. 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

  1. System and method for damping vibration in a drill string

    Science.gov (United States)

    Wassell, Mark Ellsworth; Turner, William Evans; Burgess, Daniel E; Perry, Carl Allison

    2014-03-04

    A system for damping vibration in a drill string can include a valve assembly having a supply of a fluid, a first member, and a second member capable of moving in relation to first member in response to vibration of the drill bit. The first and second members define a first and a second chamber for holding the fluid. Fluid can flow between the first and second chambers in response to the movement of the second member in relation to the first member. The valve assembly can also include a coil or a valve for varying a resistance of the fluid to flow between the first and second chambers.

  2. A Review on Eigenstructure Assignment Methods and Orthogonal Eigenstructure Control of Structural Vibrations

    Directory of Open Access Journals (Sweden)

    Mohammad Rastgaar

    2009-01-01

    Full Text Available This paper provides a state-of-the-art review of eigenstructure assignment methods for vibration cancellation. Eigenstructure assignment techniques have been widely used during the past three decades for vibration suppression in structures, especially in large space structures. These methods work similar to mode localization in which global vibrations are managed such that they remain localized within the structure. Such localization would help reducing vibrations more effectively than other methods of vibration cancellation, by virtue of confining the vibrations close to the source of disturbance. The common objective of different methods of eigenstructure assignment is to provide controller design freedom beyond pole placement, and define appropriate shapes for the eigenvectors of the systems. These methods; however, offer a large and complex design space of options that can often overwhelm the control designer. Recent developments in orthogonal eigenstructure control offers a significant simplification of the design task while allowing some experience-based design freedom. The majority of the papers from the past three decades in structural vibration cancellation using eigenstructure assignment methods are reviewed, along with recent studies that introduce new developments in eigenstructure assignment techniques.

  3. Probing Intermolecular Electron Delocalization in Dimer Radical Anions by Vibrational Spectroscopy

    International Nuclear Information System (INIS)

    Mani, Tomoyasu; Brookhaven National Laboratory; Grills, David C.

    2017-01-01

    Delocalization of charges is one of the factors controlling charge transport in conjugated molecules. It is considered to play an important role in the performance of a wide range of molecular technologies, including organic solar cells and organic electronics. Dimerization reactions are well-suited as a model to investigate intermolecular spatial delocalization of charges. And while dimerization reactions of radical cations are well investigated, studies on radical anions are still scarce. Upon dimerization of radical anions with neutral counterparts, an electron is considered to delocalize over the two molecules. By using time-resolved infrared (TRIR) detection coupled with pulse radiolysis, we show that radical anions of 4-n-hexyl-4'-cyanobiphenyl (6CB) undergo such dimerization reactions, with an electron equally delocalized over the two molecules. We have recently demonstrated that nitrile ν(C≡N) vibrations respond to the degree of electron localization of nitrile-substituted anions: we can quantify the changes in the electronic charges from the neutral to the anion states in the nitriles by monitoring the ν(C≡N) IR shifts. In the first part of this article, we show that the sensitivity of the ν(C≡N) IR shifts does not depend on solvent polarity. In the second part, we describe how probing the shifts of the nitrile IR vibrational band unambiguously confirms the formation of dimer radical anions, with K dim = 3 × 10 4 M –1 . IR findings are corroborated by electronic absorption spectroscopy and electronic structure calculations. We find that the presence of a hexyl chain and the formation of π–π interactions are both crucial for dimerization of radical anions of 6CB with neutral 6CB. Our study provides clear evidence of spatial delocalization of electrons over two molecular fragments.

  4. Experimental study on nonlinear vibrating of aluminum foam using electronic speckle pattern interferometry

    Science.gov (United States)

    Yang, Fujun; Ma, Yinhang; Tao, Nan; He, Xiaoyuan

    2017-06-01

    Due to its multi properties, including excellent stiffness-to-weight and strength-to-weight ratios, closed-cell aluminum and its alloy foams become candidate materials for use in many high-technology industries, such as the automotive and aerospace industries. For the efficient use of closed-cell foams in structural applications, it is necessary and important to detailly understand their mechanical characteristics. In this paper, the nonlinear vibration responses of the cantilever beams of closed-cell aluminum foams were investigated by use of electronic speckle pattern interferometry (ESPI). The nonlinear resonant mode shapes of testing specimens under harmonic excitation were measured. It is first time to obtain from the experimental results that there exist super-harmonic responses when the cantilever beams of closed-cell aluminum foam were forced to vibrate, which was caused by its specific cellular structures.

  5. Electronic and vibrational circular dichroism spectra of (R)-(−)-apomorphine

    International Nuclear Information System (INIS)

    Abbate, Sergio; Longhi, Giovanna; Lebon, France; Tommasini, Matteo

    2012-01-01

    Highlights: ► ECD and VCD Spectra of (R)-(−)-apomorphine measured in various solvents. ► DFT calculations allow to study the protonation state and conformations. ► Contributions from catechol OH vibrations to the VCD spectra is studied. -- Abstract: Apomorphine is a chiral drug molecule; notwithstanding its extraordinary importance, little attention has been paid to the characterization of its chiroptical properties. Here we report on its electronic circular dichroism (ECD) spectra, recorded in methanol and water, and vibrational circular dichroism (VCD) in methanol and dimethyl sulfoxide (DMSO) solutions. Density functional theory (DFT) calculations have allowed us to interpret the spectra and to evaluate the role of possible conformations, charge-states and interactions with counter ions.

  6. A study on the evaluation of vibration effect and the development of vibration reduction method for Wolsung unit 1 main steam piping

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Hyun; Kim, Yeon Whan [Korea Electric Power Corp. (KEPCO), Taejon (Korea, Republic of). Research Center; Kim, Tae Ryong; Park, Jin Ho [Korea Atomic Energy Research Inst., Daeduk (Korea, Republic of)

    1996-08-01

    The main steam piping of nuclear power plant which runs between steam generator and high pressure turbine has been experienced to have a severe effect on the safe operation of the plant due to the vibration induced by the steam flowing inside the piping. The imposed cyclic loads by the vibration could result in the degradation of the related structures such as connection parts between main instruments, valves, pipe supports and building. The objective of the study is to reduce the vibration level of Wolsung nuclear power plant unit 1 main steam pipeline by analyzing vibration characteristics of the piping, identifying sources of the vibration and developing a vibration reduction method .The location of the maximum vibration is piping between the main steam header and steam chest .The stress level was found to be within the allowable limit .The main vibration frequency was found to be 4{approx}6 Hz which is the same as the natural frequency from model test .A vibration reduction method using pipe supports of energy absorbing type(WEAR)is selected .The measured vibration level after WEAR installation was reduced about 36{approx}77% in displacement unit (author). 36 refs., 188 figs.

  7. Structural, Electronic, Magnetic, and Vibrational Properties of Graphene and Silicene: A First-Principles Perspective

    KAUST Repository

    Kaloni, Thaneshwor P.

    2013-11-01

    This thesis covers the structural, electronic, magnetic, and vibrational properties of graphene and silicene. In Chapter I, we will start with an introduction to graphene and silicene. In Chapter II, we will briefly discuss about the methodology (i. e. density functional theory)In Chapter III, we will introduce band gap opening in graphene either by introducing defects/doping or by creating superlattices with h-BN substrate. In Chapter IV, we will focus on the structural and electronic properties of K and Ge-intercalated graphene on SiC(0001). In addition, the enhancement of the superconducting transition temperature in Li-decorated graphene supported by h-BN substrate will be discussed. In Chapter V, we will discuss the vibrational properties of free-standing silicene. In addition, superlattices of silicene with h-BN as well as the phase transition in silicene by applying an external electric field will be discussed. The electronic and magnetic properties transition metal decorated silicene will be discussed, in particular the realization of the quantum anomalous Hall effect will be addressed. Furthermore, the structural, electronic, and magnetic properties of Mn decorated silicene supported by h-BN substrate will be discussed. The conclusion is included in Chapters VI. Finally, we will end with references and a list of publications for this thesis.

  8. Numerical analysis using state space method for vibration control of ...

    African Journals Online (AJOL)

    ATHARVA

    carried out for two cases namely car moving on sagged bridges and car ... the vibrations of steel moment resisting frame in reinforced cement concrete buildings. ... active or semi-active dampers rolled into one (Spencer Jr. and Soong, 1999). ... implementation cost, low power consumption, ease of control, simple design ...

  9. Vibrational, electronic and quantum chemical studies of 1,2,4-benzenetricarboxylic-1,2-anhydride.

    Science.gov (United States)

    Arjunan, V; Raj, Arushma; Subramanian, S; Mohan, S

    2013-06-01

    The FTIR and FT-Raman spectra of 1,2,4-benzenetricarboxylic-1,2-anhydride (BTCA) have been recorded in the range 4000-400 and 4000-100 cm(-1), respectively. The complete vibrational assignments and analysis of BTCA have been performed. More support on the experimental findings was added from the quantum chemical studies performed with DFT (B3LYP, MP2, B3PW91) method using 6-311++G(**), 6-31G(**) and cc-pVTZ basis sets. The structural parameters, energies, thermodynamic parameters, vibrational frequencies and the NBO charges of BTCA were determined by the DFT method. The (1)H and (13)C isotropic chemical shifts (δ ppm) of BTCA with respect to TMS were also calculated using the gauge independent atomic orbital (GIAO) method and compared with the experimental data. The delocalization energies of different types of interactions were determined. Copyright © 2013 Elsevier B.V. All rights reserved.

  10. An adjoint method of sensitivity analysis for residual vibrations of structures subject to impacts

    Science.gov (United States)

    Yan, Kun; Cheng, Gengdong

    2018-03-01

    For structures subject to impact loads, the residual vibration reduction is more and more important as the machines become faster and lighter. An efficient sensitivity analysis of residual vibration with respect to structural or operational parameters is indispensable for using a gradient based optimization algorithm, which reduces the residual vibration in either active or passive way. In this paper, an integrated quadratic performance index is used as the measure of the residual vibration, since it globally measures the residual vibration response and its calculation can be simplified greatly with Lyapunov equation. Several sensitivity analysis approaches for performance index were developed based on the assumption that the initial excitations of residual vibration were given and independent of structural design. Since the resulting excitations by the impact load often depend on structural design, this paper aims to propose a new efficient sensitivity analysis method for residual vibration of structures subject to impacts to consider the dependence. The new method is developed by combining two existing methods and using adjoint variable approach. Three numerical examples are carried out and demonstrate the accuracy of the proposed method. The numerical results show that the dependence of initial excitations on structural design variables may strongly affects the accuracy of sensitivities.

  11. Vibrational structures in electron-CO2 scattering below the 2Πu shape resonance

    International Nuclear Information System (INIS)

    Allan, Michael

    2002-01-01

    Structures of vibrational origin were discovered in vibrationally inelastic electron-CO 2 cross sections in the energy range 0.4-0.9 eV, well below the 2 Π u shape resonance. They appear in the excitation of higher vibrational levels, in particular the highest members of the Fermi polyads of the type (n, 2m, 0) with n+m=2-4. The lowest two structures, at 0.445 and 0.525 eV, are narrow; higher-lying structures are broader and boomerang-like. The structures are absent when the antisymmetric stretch is co-excited. The structures are interpreted in terms of a wavepacket of the nuclei reflected from a potential surface of the CO 2 - anion in a bent and stretched geometry. A state emerging from the virtual state upon bending and stretching and the state resulting from bending the 2 Π u shape resonance are discussed as possibly being responsible for the structures. (author). Letter-to-the-editor

  12. Electron-impact vibrational excitation of the hydroxyl radical in the nighttime upper atmosphere

    Science.gov (United States)

    Campbell, Laurence; Brunger, Michael J.

    2018-02-01

    Chemical processes produce vibrationally excited hydroxyl (OH) in a layer centred at an altitude of about 87 km in the Earth's atmosphere. Observations of this layer are used to deduce temperatures in the mesosphere and to observe the passage of atmospheric gravity waves. Due to the low densities and energies at night of electrons at the relevant altitude, it is not expected that electron-impact excitation of OH would be significant. However, there are unexplained characteristics of OH densities and radiative emissions that might be explained by electron impact. These are measurements of higher than expected densities of OH above 90 km and of emissions at higher energies that cannot be explained by the chemical production processes. This study simulates the role of electron impact in these processes, using theoretical cross sections for electron-impact excitation of OH. The simulations show that electron impact, even in a substantial aurora, cannot fully explain these phenomena. However, in the process of this investigation, apparent inconsistencies in the theoretical cross sections and reaction rates were found, indicating that measurements of electron-impact excitation of OH are needed to resolve these problems and scale the theoretical predictions to allow more accurate simulations.

  13. WAVELETS AND PRINCIPAL COMPONENT ANALYSIS METHOD FOR VIBRATION MONITORING OF ROTATING MACHINERY

    OpenAIRE

    Bendjama, Hocine; S. Boucherit, Mohamad

    2017-01-01

    Fault diagnosis is playing today a crucial role in industrial systems. To improve reliability, safety and efficiency advanced monitoring methods have become increasingly important for many systems. The vibration analysis method is essential in improving condition monitoring and fault diagnosis of rotating machinery. Effective utilization of vibration signals depends upon effectiveness of applied signal processing techniques. In this paper, fault diagnosis is performed using a com...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-12-21

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

  15. Diagnosis of Centrifugal Pump Faults Using Vibration Methods

    International Nuclear Information System (INIS)

    Albraik, A; Althobiani, F; Gu, F; Ball, A

    2012-01-01

    Pumps are the largest single consumer of power in industry. This means that faulty pumps cause a high rate of energy loss with associated performance degradation, high vibration levels and significant noise radiation. This paper investigates the correlations between pump performance parameters including head, flow rate and energy consumption and surface vibration for the purpose of both pump condition monitoring and performance assessment. Using an in-house pump system, a number of experiments have been carried out on a centrifugal pump system using five impellers: one in good condition and four others with different defects, and at different flow rates for the comparison purposes. The results have shown that each defective impeller performance curve (showing flow, head, efficiency and NPSH (Net Positive Suction Head) is different from the benchmark curve showing the performance of the impeller in good condition. The exterior vibration responses were investigated to extract several key features to represent the healthy pump condition, pump operating condition and pump energy consumption. In combination, these parameter allow an optimal decision for pump overhaul to be made.

  16. Diagnosis of Centrifugal Pump Faults Using Vibration Methods

    Science.gov (United States)

    Albraik, A.; Althobiani, F.; Gu, F.; Ball, A.

    2012-05-01

    Pumps are the largest single consumer of power in industry. This means that faulty pumps cause a high rate of energy loss with associated performance degradation, high vibration levels and significant noise radiation. This paper investigates the correlations between pump performance parameters including head, flow rate and energy consumption and surface vibration for the purpose of both pump condition monitoring and performance assessment. Using an in-house pump system, a number of experiments have been carried out on a centrifugal pump system using five impellers: one in good condition and four others with different defects, and at different flow rates for the comparison purposes. The results have shown that each defective impeller performance curve (showing flow, head, efficiency and NPSH (Net Positive Suction Head) is different from the benchmark curve showing the performance of the impeller in good condition. The exterior vibration responses were investigated to extract several key features to represent the healthy pump condition, pump operating condition and pump energy consumption. In combination, these parameter allow an optimal decision for pump overhaul to be made [1].

  17. Damping control of micromachined lowpass mechanical vibration isolation filters using electrostatic actuation with electronic signal processing

    Science.gov (United States)

    Dean, Robert; Flowers, George; Sanders, Nicole; MacAllister, Ken; Horvath, Roland; Hodel, A. S.; Johnson, Wayne; Kranz, Michael; Whitley, Michael

    2005-05-01

    Some harsh environments, such as those encountered by aerospace vehicles and various types of industrial machinery, contain high frequency/amplitude mechanical vibrations. Unfortunately, some very useful components are sensitive to these high frequency mechanical vibrations. Examples include MEMS gyroscopes and resonators, oscillators and some micro optics. Exposure of these components to high frequency mechanical vibrations present in the operating environment can result in problems ranging from an increased noise floor to component failure. Passive micromachined silicon lowpass filter structures (spring-mass-damper) have been demonstrated in recent years. However, the performance of these filter structures is typically limited by low damping (especially if operated in near-vacuum environments) and a lack of tunability after fabrication. Active filter topologies, such as piezoelectric, electrostrictive-polymer-film and SMA have also been investigated in recent years. Electrostatic actuators, however, are utilized in many micromachined silicon devices to generate mechanical motion. They offer a number of advantages, including low power, fast response time, compatibility with silicon micromachining, capacitive position measurement and relative simplicity of fabrication. This paper presents an approach for realizing active micromachined mechanical lowpass vibration isolation filters by integrating an electrostatic actuator with the micromachined passive filter structure to realize an active mechanical lowpass filter. Although the electrostatic actuator can be used to adjust the filter resonant frequency, the primary application is for increasing the damping to an acceptable level. The physical size of these active filters is suitable for use in or as packaging for sensitive electronic and MEMS devices, such as MEMS vibratory gyroscope chips.

  18. An analytical method for free vibration analysis of functionally graded beams with edge cracks

    Science.gov (United States)

    Wei, Dong; Liu, Yinghua; Xiang, Zhihai

    2012-03-01

    In this paper, an analytical method is proposed for solving the free vibration of cracked functionally graded material (FGM) beams with axial loading, rotary inertia and shear deformation. The governing differential equations of motion for an FGM beam are established and the corresponding solutions are found first. The discontinuity of rotation caused by the cracks is simulated by means of the rotational spring model. Based on the transfer matrix method, then the recurrence formula is developed to get the eigenvalue equations of free vibration of FGM beams. The main advantage of the proposed method is that the eigenvalue equation for vibrating beams with an arbitrary number of cracks can be conveniently determined from a third-order determinant. Due to the decrease in the determinant order as compared with previous methods, the developed method is simpler and more convenient to analytically solve the free vibration problem of cracked FGM beams. Moreover, free vibration analyses of the Euler-Bernoulli and Timoshenko beams with any number of cracks can be conducted using the unified procedure based on the developed method. These advantages of the proposed procedure would be more remarkable as the increase of the number of cracks. A comprehensive analysis is conducted to investigate the influences of the location and total number of cracks, material properties, axial load, inertia and end supports on the natural frequencies and vibration mode shapes of FGM beams. The present work may be useful for the design and control of damaged structures.

  19. An Efficient Method of Vibration Diagnostics For Rotating Machinery Using a Decision Tree

    Directory of Open Access Journals (Sweden)

    Bo Suk Yang

    2000-01-01

    Full Text Available This paper describes an efficient method to automatize vibration diagnosis for rotating machinery using a decision tree, which is applicable to vibration diagnosis expert system. Decision tree is a widely known formalism for expressing classification knowledge and has been used successfully in many diverse areas such as character recognition, medical diagnosis, and expert systems, etc. In order to build a decision tree for vibration diagnosis, we have to define classes and attributes. A set of cases based on past experiences is also needed. This training set is inducted using a result-cause matrix newly developed in the present work instead of using a conventionally implemented cause-result matrix. This method was applied to diagnostics for various cases taken from published work. It is found that the present method predicts causes of the abnormal vibration for test cases with high reliability.

  20. 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)

  1. Nonadiabatic effects on surfaces: Kohn anomaly, electronic damping of adsorbate vibrations, and local heating of single molecules

    International Nuclear Information System (INIS)

    Kroeger, J

    2008-01-01

    Three aspects of electron-phonon coupling at metal surfaces are reviewed. One aspect is the Kohn effect, which describes an anomalous dispersion relation of surface phonons due to quasi-one-dimensional nesting of Fermi surface contours. The combination of electron energy loss spectroscopy and angle-resolved photoelectron spectroscopy allows us to unambiguously characterize Kohn anomaly systems. A second aspect is the nonadiabatic damping of adsorbate vibrations. Characteristic spectroscopic line shapes of vibrational modes allow us to estimate the amount of energy transfer between the vibrational mode and electron-hole pairs. Case studies of a Kohn anomaly and nonadiabatic damping are provided by the hydrogen- and deuterium-covered Mo(110) surface. As a third aspect of interaction between electrons and phonons, local heating of a C 60 molecule adsorbed on Cu(100) and in contact with the tip of a scanning tunnelling microscope is covered

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

    International Nuclear Information System (INIS)

    Morini, Filippo; Deleuze, Michael S.; Watanabe, Noboru; Takahashi, Masahiko

    2015-01-01

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

  3. Ab initio study of structural, electronic, optical, and vibrational properties of ZnxSy (x + y = 2 to 5) nanoclusters

    International Nuclear Information System (INIS)

    Yadav, P. S.; Pandey, D. K.; Agrawal, S.; Agrawal, B. K.

    2010-01-01

    An ab initio study of the stability, structural, electronic. and optical properties has been performed for 46 zinc sulfide nanoclusters Zn x S y (x + y = n = 2 to 5). Five out of them are seen to be unstable as their vibrational frequencies are found to be imaginary. A B3LYP-DFT/6-311G(3df) method is employed to optimize the geometries and a TDDFT method is used for the study of the optical properties. The binding energies (BE), HOMO-LUMO gaps and the bond lengths have been obtained for all the clusters. For the ZnS 2 , ZnS 3 , and ZnS 4 nanoclusters, our stable structures are seen to be different from those obtained earlier by using the effective core potentials. We have also considered the zero point energy (ZPE) corrections ignored by the earlier workers. For a fixed value of n, we designate the most stable structure the one, which has maximum final binding energy per atom. The adiabatic and vertical ionization potentials (IP) and electron affinities (EA), charges on the atoms, dipole moments, optical properties, vibrational frequencies, infrared intensities, relative infrared intensities, and Raman scattering activities have been investigated for the most stable structures. The nanoclusters containing large number of S atoms for each n is found to be most stable. The HOMO-LUMO gap decreases from n = 2-3 and then increases above n = 3. The IP and EA both fluctuate with the cluster size n. The optical absorption is quite weak in visible region but strong in the ultraviolet region in most of the nanoclusters except a few. The optical absorption spectrum or electron energy loss spectrum (EELS) is unique for every nanocluster and may be used to characterize a specific nanocluster. The growth of most stable nanoclusters may be possible in the experiments.

  4. Interaction of low energy electrons with surface lattice vibrations. Final report

    International Nuclear Information System (INIS)

    Tong, S.Y.

    1984-01-01

    In carrying out the DOE contract, we have succeeded in constructing a new microscopic theory, with multiple scattering, for the inelastic scattering of electrons by surface vibrations. We have applied the theory to detailed studies of angle and energy variations of the inelastic cross-section for two important systems in surface physics: carbon monoxide molecules adsorbed on the (100) surface of a nickel crystal, and hydrogen atoms adsorbed on a reconstructed tungsten (100) surface. These calculations have outlined general trends that we expect to apply to a wide variety of systems. Also, we have discovered a series of new selection rules that apply to off-specular scattering. Particularly interesting are pseudo-selection rules which are not group theoretical in origin, but approximate statements that hold well when the electron scattering amplitude exhibits a slow energy variation. We have found and defined conditions for which these selection rules would hold and break down

  5. Ab initio methods for electron-molecule collisions

    International Nuclear Information System (INIS)

    Collins, L.A.; Schneider, B.I.

    1987-01-01

    This review concentrates on the recent advances in treating the electronic aspect of the electron-molecule interaction and leaves to other articles the description of the rotational and vibrational motions. Those methods which give the most complete treatment of the direct, exchange, and correlation effects are focused on. Such full treatments are generally necessary at energies below a few Rydbergs (≅ 60 eV). This choice unfortunately necessitates omission of those active and vital areas devoted to the development of model potentials and approximate scattering formulations. The ab initio and model approaches complement each other and are both extremely important to the full explication of the electron-scattering process. Due to the rapid developments of recent years, the approaches that provide the fullest treatment are concentrated on. 81 refs

  6. Forecasting the vibrational behavior of large turbogenerators on elastic foundations in accordance with probabilistic methods

    International Nuclear Information System (INIS)

    Simon, G.

    1990-01-01

    Using advanced calculation programs, the inherent behavior and response behavior of structures can reliably be predetermined. In contrast, the dynamic forces affecting a system, in particular unbalances, are often unkown. From balancing of individual rotors, only the vibration path amplitudes at the measuring points used are known. However, these may originate from quite different unbalance distributions. Using probabilistic methods, however, values for the vibrational behavior of the overall structure can be derived from this. (orig.) [de

  7. Application of the vibration method for damage identification of a beam with a variable cross-sectional area

    Directory of Open Access Journals (Sweden)

    Zamorska Izabela

    2018-01-01

    Full Text Available The subject of the paper is an application of the non-destructive vibration method for identifying the location of two cracks occurring in a beam. The vibration method is based on knowledge of a certain number of vibration frequencies of an undamaged element and the knowledge of the same number of vibration frequencies of an element with a defect. The analyzed beam, with a variable cross-sectional area, has been described according to the Bernoulli-Euler theory. To determine the values of free vibration frequencies the analytical solution, with the help of the Green’s function method, has been used.

  8. A Method Using Optical Contactless Displacement Sensors to Measure Vibration Stress of Small-Bore Piping.

    Science.gov (United States)

    Maekawa, Akira; Tsuji, Takashi; Takahashi, Tsuneo; Noda, Michiyasu

    2014-02-01

    In nuclear power plants, vibration stress of piping is frequently evaluated to prevent fatigue failure. A simple and fast measurement method is attractive to evaluate many piping systems efficiently. In this study, a method to measure the vibration stress using optical contactless displacement sensors was proposed, the prototype instrument was developed, and the instrument practicality for the method was verified. In the proposed method, light emitting diodes (LEDs) were used as measurement sensors and the vibration stress was estimated by measuring the deformation geometry of the piping caused by oscillation, which was measured as the piping curvature radius. The method provided fast and simple vibration estimates for small-bore piping. Its verification and practicality were confirmed by vibration tests using a test pipe and mock-up piping. The stress measured by both the proposed method and an accurate conventional method using strain gauges were in agreement, and it was concluded that the proposed method could be used for actual plant piping systems.

  9. Corneal Vibrations during Intraocular Pressure Measurement with an Air-Puff Method

    Directory of Open Access Journals (Sweden)

    Robert Koprowski

    2018-01-01

    Full Text Available Introduction. The paper presents a commentary on the method of analysis of corneal vibrations occurring during eye pressure measurements with air-puff tonometers, for example, Corvis. The presented definition and measurement method allow for the analysis of image sequences of eye responses—cornea deformation. In particular, the outer corneal contour and sclera fragments are analysed, and 3D reconstruction is performed. Methods. On this basis, well-known parameters such as eyeball reaction or corneal response are determined. The next steps of analysis allow for automatic and reproducible separation of four different corneal vibrations. These vibrations are associated with (1 the location of the maximum of cornea deformation; (2 the cutoff area measured in relation to the cornea in a steady state; (3 the maximum of peaks occurring between applanations; and (4 the other characteristic points of the corneal contour. Results. The results obtained enable (1 automatic determination of the amplitude of vibrations; (2 determination of the frequency of vibrations; and (3 determination of the correlation between the selected types of vibrations. Conclusions. These are diagnostic features that can be directly applied clinically for new and archived data.

  10. Application of Finite Element Based Simulation and Modal Testing Methods to Improve Vehicle Powertrain Idle Vibration

    Directory of Open Access Journals (Sweden)

    Polat Sendur

    2017-01-01

    Full Text Available Current practice of analytical and test methods related to the analysis, testing and improvement of vehicle vibrations is overviewed. The methods are illustrated on the determination and improvement of powertrain induced steering wheel vibration of a heavy commercial truck. More specifically, the transmissibility of powertrain idle vibration to cabin is investigated with respect to powertrain rigid body modes and modal alignment of the steering column/wheel system is considered. It is found out that roll mode of the powertrain is not separated from idle excitation for effective vibration isolation as well as steering wheel column mode is close to the 3rd engine excitation frequency order, which results in high vibration levels. Powertrain roll mode is optimized by tuning the powertrain mount stiffness to improve the performance. Steering column mode is also separated from the 3rd engine excitation frequency by the application of a mass absorber. It is concluded that the use of analytical and test methods to address the complex relation between design parameters and powertrain idle response is effective to optimize the system performance and evaluate the trade-offs in the vehicle design such as vibration performance and weight. Reference Number: www.asrongo.org/doi:4.2017.2.1.10

  11. Comparison of sEMG processing methods during whole-body vibration exercise.

    Science.gov (United States)

    Lienhard, Karin; Cabasson, Aline; Meste, Olivier; Colson, Serge S

    2015-12-01

    The objective was to investigate the influence of surface electromyography (sEMG) processing methods on the quantification of muscle activity during whole-body vibration (WBV) exercises. sEMG activity was recorded while the participants performed squats on the platform with and without WBV. The spikes observed in the sEMG spectrum at the vibration frequency and its harmonics were deleted using state-of-the-art methods, i.e. (1) a band-stop filter, (2) a band-pass filter, and (3) spectral linear interpolation. The same filtering methods were applied on the sEMG during the no-vibration trial. The linear interpolation method showed the highest intraclass correlation coefficients (no vibration: 0.999, WBV: 0.757-0.979) with the comparison measure (unfiltered sEMG during the no-vibration trial), followed by the band-stop filter (no vibration: 0.929-0.975, WBV: 0.661-0.938). While both methods introduced a systematic bias (P interpolation method and the band-stop filter was comparable. The band-pass filter was in poor agreement with the other methods (ICC: 0.207-0.697), unless the sEMG(RMS) was corrected for the bias (ICC ⩾ 0.931, %LOA ⩽ 32.3). In conclusion, spectral linear interpolation or a band-stop filter centered at the vibration frequency and its multiple harmonics should be applied to delete the artifacts in the sEMG signals during WBV. With the use of a band-stop filter it is recommended to correct the sEMG(RMS) for the bias as this procedure improved its performance. Copyright © 2015 Elsevier Ltd. All rights reserved.

  12. Study on design method and vibration reduction characteristic of floating raft with periodic structure

    Science.gov (United States)

    Fang, Yuanyuan; Zuo, Yanyan; Xia, Zhaowang

    2018-03-01

    The noise level is getting higher with the development of high-power marine power plant. Mechanical noise is one of the most obvious noise sources which not only affect equipment reliability, riding comfort and working environment, but also enlarge underwater noise. The periodic truss type device which is commonly applied in fields of aerospace and architectural is introduced to floating raft construction in ship. Four different raft frame structure are designed in the paper. The vibration transmissibility is taken as an evaluation index to measure vibration isolation effect. A design scheme with the best vibration isolation effect is found by numerical method. Plate type and the optimized periodic truss type raft frame structure are processed to experimental verify vibration isolation effect of the structure of the periodic raft. The experimental results demonstrate that the same quality of the periodic truss floating raft has better isolation effect than that of the plate type floating raft.

  13. A novel prediction method of vibration and acoustic radiation for rectangular plate with particle dampers

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Dongqiang; Wu, Chengjun [Xi' an Jiaotong University, Xi' an (China)

    2016-03-15

    Particle damping technology is widely used in mechanical and structural systems or civil engineering to reduce vibration and suppress noise as a result of its high efficiency, simplicity and easy implementation, low cost, and energy-saving characteristic without the need for any auxiliary power equipment. Research on particle damping theory has focused on the vibration response of the particle damping structure, but the acoustic radiation of the particle damping structure is rarely investigated. Therefore, a feasible modeling method to predict the vibration response and acoustic radiation of the particle damping structure is desirable to satisfy the actual requirements in industrial practice. In this paper, a novel simulation method based on multiphase flow theory of gas particle by COMSOL multiphysics is developed to study the vibration and acoustic radiation characteristics of a cantilever rectangular plate with Particle dampers (PDs). The frequency response functions and scattered far-field sound pressure level of the plate without and with PDs under forced vibration are predicted, and the predictions agree well with the experimental results. Results demonstrate that the added PDs have a significant effect on vibration damping and noise reduction for the primary structure. The presented work in this paper shows that the theoretical work is valid, which can provide important theoretical guidance for low-noise optimization design of particle damping structure. This model also has an important reference value for the noise control of this kind of structure.

  14. A hierarchically structured identification- and classification method for vibration control of reactor components

    International Nuclear Information System (INIS)

    Saedtler, E.

    1981-01-01

    The method for controlling the vibrating behaviour of primary circuit components or for a general systems control is a combination of methods of the statistic systems theory, optimum filter theory, statistic decision theory and of the pattern recognition method. It is appropriate for automatic control of complex systems and stochastic events. (DG) [de

  15. Observation of Electronic Excitation Transfer Through Light Harvesting Complex II Using Two-Dimensional Electronic-Vibrational Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lewis, NHC; Gruenke, NL; Oliver, TAA; Ballottari, M; Bassi, R; Fleming, GR

    2016-10-05

    Light-harvesting complex II (LHCII) serves a central role in light harvesting for oxygenic photosynthesis and is arguably the most important photosynthetic antenna complex. In this article, we present two-dimensional electronic–vibrational (2DEV) spectra of LHCII isolated from spinach, demonstrating the possibility of using this technique to track the transfer of electronic excitation energy between specific pigments within the complex. We assign the spectral bands via comparison with the 2DEV spectra of the isolated chromophores, chlorophyll a and b, and present evidence that excitation energy between the pigments of the complex are observed in these spectra. Lastly, we analyze the essential components of the 2DEV spectra using singular value decomposition, which makes it possible to reveal the relaxation pathways within this complex.

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

    DEFF Research Database (Denmark)

    Kuznetsov, A.M.; Ulstrup, Jens

    2002-01-01

    We present a new view and an analytical formalism of electron flow through a donor-acceptor molecule inserted between a pair of metal electrodes. The donor and acceptor levels are strongly coupled to an environmental nuclear continuum. The formalism applies to molecular donor-acceptor systems bot...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-08-14

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

  18. 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.

  19. METHOD OF ELECTRON BEAM PROCESSING

    DEFF Research Database (Denmark)

    2003-01-01

    As a rule, electron beam welding takes place in a vacuum. However, this means that the workpieces in question have to be placed in a vacuum chamber and have to be removed therefrom after welding. This is time−consuming and a serious limitation of a process the greatest advantage of which is the o......As a rule, electron beam welding takes place in a vacuum. However, this means that the workpieces in question have to be placed in a vacuum chamber and have to be removed therefrom after welding. This is time−consuming and a serious limitation of a process the greatest advantage of which...... is the option of welding workpieces of large thicknesses. Therefore the idea is to guide the electron beam (2) to the workpiece via a hollow wire, said wire thereby acting as a prolongation of the vacuum chamber (4) down to workpiece. Thus, a workpiece need not be placed inside the vacuum chamber, thereby...... exploiting the potential of electron beam processing to a greater degree than previously possible, for example by means of electron beam welding...

  20. Electron beam exposure mechanisms in hydrogen silsesquioxane investigated by vibrational spectroscopy and in-situ electron beam induced desorption

    Energy Technology Data Exchange (ETDEWEB)

    Olynick, D.L.; Cord, B.; Schipotinin, A.; Ogletree, D.F.; Schuck, P.J.

    2009-11-13

    Hydrogen Silsesquioxane (HSQ) is used as a high-resolution resist with resolution down below 10nm half-pitch. This material or materials with related functionalities could have widespread impact in nanolithography and nanoscience applications if the exposure mechanism was understood and instabilities controlled. Here we have directly investigated the exposure mechanism using vibrational spectroscopy (both Raman and Fourier transform Infrared) and electron beam desorption spectrocscopy (EBDS). In the non-networked HSQ system, silicon atoms sit at the corners of a cubic structure. Each silicon is bonded to a hydrogen atom and bridges 3 oxygen atoms (formula: HSiO3/2). For the first time, we have shown, via changes in the Si-H2 peak at ~;;2200 cm -1 in the Raman spectra and the release of SiHx products in EBID, that electron-bam exposed materials crosslinks via a redistribution reaction. In addition, we observe the release of significantly more H2 than SiH2 during EBID, which is indicative of additional reaction mechanisms. Additionally, we compare the behavior of HSQ in response to both thermal and electron-beam induced reactions.

  1. An extension of command shaping methods for controlling residual vibration using frequency sampling

    Science.gov (United States)

    Singer, Neil C.; Seering, Warren P.

    1992-01-01

    The authors present an extension to the impulse shaping technique for commanding machines to move with reduced residual vibration. The extension, called frequency sampling, is a method for generating constraints that are used to obtain shaping sequences which minimize residual vibration in systems such as robots whose resonant frequencies change during motion. The authors present a review of impulse shaping methods, a development of the proposed extension, and a comparison of results of tests conducted on a simple model of the space shuttle robot arm. Frequency shaping provides a method for minimizing the impulse sequence duration required to give the desired insensitivity.

  2. Active vibration control for piezoelectricity cantilever beam: an adaptive feedforward control method

    Science.gov (United States)

    Zhu, Qiao; Yue, Jun-Zhou; Liu, Wei-Qun; Wang, Xu-Dong; Chen, Jun; Hu, Guang-Di

    2017-04-01

    This work is focused on the active vibration control of piezoelectric cantilever beam, where an adaptive feedforward controller (AFC) is utilized to reject the vibration with unknown multiple frequencies. First, the experiment setup and its mathematical model are introduced. Due to that the channel between the disturbance and the vibration output is unknown in practice, a concept of equivalent input disturbance (EID) is employed to put an equivalent disturbance into the input channel. In this situation, the vibration control can be achieved by setting the control input be the identified EID. Then, for the EID with known multiple frequencies, the AFC is introduced to perfectly reject the vibration but is sensitive to the frequencies. In order to accurately identify the unknown frequencies of EID in presence of the random disturbances and un-modeled nonlinear dynamics, the time-frequency-analysis (TFA) method is employed to precisely identify the unknown frequencies. Consequently, a TFA-based AFC algorithm is proposed to the active vibration control with unknown frequencies. Finally, four cases are given to illustrate the efficiency of the proposed TFA-based AFC algorithm by experiment.

  3. A Study of Polishing Feature of Ultrasonic-Assisted Vibration Method in Bamboo Charcoal

    Directory of Open Access Journals (Sweden)

    Hsin-Min Lee

    2017-01-01

    Full Text Available Focusing on the feature of porosity in bamboo charcoal, this study applies the ultrasonic-assisted vibration method to perform surface polishing of the silicon wafer workpiece. The self-developed bamboo charcoal polishing spindle and ultrasonic- assisted vibration mechanism are attached to a single lapping machine. In the machining process, ultrasonic vibration enables the diamond slurry to smoothly pass through the microscopic holes of bamboo charcoal; the end of the bamboo charcoalis able to continue machining on the surface of the workpiece through the grasping force which exists in the microscopic holes. Under the polishing and machining parameters of ultrasonic-assisted vibration, with a diamond slurry concentration of 0.3%, the experimental results show a polishing time of 20 min, a loading of 25 N on the workpiece surface, a spindle speed of 1200 rpm, a vibration frequency of 30 kHz and the original surface roughness value of Ra 0.252 μm equals that of a mirror-like surface at Ra 0.017 μm. These research results prove that by using bamboo charcoal and ultrasonic-assisted vibration for polishing, a very good improvement can be achieved on the workpiece surface.

  4. Study of electron vibrational interaction parameters in chlorophosphate activated with Eu2+ ion

    International Nuclear Information System (INIS)

    Bhoyar, Priyanka D.; Dhoble, S.J.

    2014-01-01

    We present the results of theoretical study of photoluminescence of Eu 2+ ions activated chlorophosphate M 5.17 (PO 4 ) 3 Cl 5 :Eu 2+ with M = Ca, Sr and Ba estimating electron-vibrational interaction (EVI) parameters such as Huang–Rhys factor, effective phonon energy, Stokes shift and zero phonon line position. Validity of the calculated result was established by modeling the emission line which was found to be in good agreement with the measured photoluminescence spectrum of Eu 2+ doped chorophosphates. - Highlights: • The EVI parameters such as Huang–Rhys factor, effective phonon energy and zero phonon line position were estimated. • Eu 2+ ion emission observed in chlorophosphate. • Material analyzed in this work have intermediate Huang–Rhys factor, high Stokes shift and low effective phonon energy

  5. A REVIEW OF VIBRATION MACHINE DIAGNOSTICS BY USING ARTIFICIAL INTELLIGENCE METHODS

    Directory of Open Access Journals (Sweden)

    Grover Zurita

    2016-09-01

    Full Text Available In the industry, gears and rolling bearings failures are one of the foremost causes of breakdown in rotating machines, reducing availability time of the production and resulting in costly systems downtime. Therefore, there are growing demands for vibration condition based monitoring of gears and bearings, and any method in order to improve the effectiveness, reliability, and accuracy of the bearing faults diagnosis ought to be evaluated. In order to perform machine diagnosis efficiently, researchers have extensively investigated different advanced digital signal processing techniques and artificial intelligence methods to accurately extract fault characteristics from vibration signals. The main goal of this article is to present the state-of-the-art development in vibration analysis for machine diagnosis based on artificial intelligence methods.

  6. General principles of control method of passenger car bodies bending vibration parameters

    Science.gov (United States)

    Skachkov, A. N.; Samoshkin, S. L.; Korshunov, S. D.; Kobishchanov, V. V.; Antipin, D. Ya

    2018-03-01

    Weight reduction of passenger cars is a promising direction of reducing the cost of their production and increasing transportation profitability. One way to reduce the weight of passenger cars is the lightweight metal body design by means of using of high-strength aluminum alloys, low-alloy and stainless steels. However, it has been found that the limit of the lightweight metal body design is not determined by the total mode of deformation, but its flexural rigidity, as the latter influences natural frequencies of body bending vibrations. With the introduction of mandatory certification for compliance with the Customs Union technical regulations, the following index was confirmed: “first natural frequency of body bending vibrations in the vertical plane”. This is due to the fact that vibration, noise and car motion depend on this index. To define the required indexes, the principles of the control method of bending vibration parameters of passenger car bodies are proposed in this paper. This method covers all stages of car design – development of design documentation, manufacturing and testing experimental and pilot models, launching the production. The authors also developed evaluation criteria and the procedure of using the results for introduction of control method of bending vibration parameters of passenger car bodies.

  7. Free vibration characteristics analysis of rectangular plate with rectangular opening based on Fourier series method

    Directory of Open Access Journals (Sweden)

    WANG Minhao

    2017-08-01

    Full Text Available Plate structures with openings are common in many engineering structures. The study of the vibration characteristics of such structures is directly related to the vibration reduction, noise reduction and stability analysis of an overall structure. This paper conducts research into the free vibration characteristics of a thin elastic plate with a rectangular opening parallel to the plate in an arbitrary position. We use the improved Fourier series to represent the displacement tolerance function of the rectangular plate with an opening. We can divide the plate into an eight zone plate to simplify the calculation. We then use linear springs, which are uniformly distributed along the boundary, to simulate the classical boundary conditions and the boundary conditions of the boundaries between the regions. According to the energy functional and variational method, we can obtain the overall energy functional. We can also obtain the generalized eigenvalue matrix equation by studying the extremum of the unknown improved Fourier series expansion coefficients. We can then obtain the natural frequencies and corresponding vibration modes of the rectangular plate with an opening by solving the equation. We then compare the calculated results with the finite element method to verify the accuracy and effectiveness of the method proposed in this paper. Finally, we research the influence of the boundary condition, opening size and opening position on the vibration characteristics of a plate with an opening. This provides a theoretical reference for practical engineering application.

  8. Vibration based structural health monitoring in fibre reinforced composites employing the modal strain energy method

    NARCIS (Netherlands)

    Loendersloot, Richard; Ooijevaar, T.H.; Warnet, Laurent; Akkerman, Remko; de Boer, Andries; Meguid, S.A.; Gomes, J.F.S.

    2009-01-01

    The feasibility of a vibration based damage identification method is investigated. The Modal Strain Energy method is applied to a T–beam structure. The dynamic response of an intact structure and a damaged, delaminated structure is analysed employing a commercially available Finite Element package.

  9. Inelastic vibrational bulk and surface losses of swift electrons in ionic nanostructures

    Science.gov (United States)

    Hohenester, Ulrich; Trügler, Andreas; Batson, Philip E.; Lagos, Maureen J.

    2018-04-01

    In a recent paper [Lagos et al., Nature (London) 543, 533 (2017), 10.1038/nature21699] we have used electron energy loss spectroscopy with sub-10 meV energy and atomic spatial resolution to map optical and acoustic, bulk and surface vibrational modes in magnesium oxide nanocubes. We found that a local dielectric description works well for the simulation of aloof geometries, similar to related work for surface plasmons and surface plasmon polaritons, while for intersecting geometries such a description fails to reproduce the rich spectral features associated with excitation of bulk acoustic and optical phonons. To account for scatterings with a finite momentum exchange, in this paper we investigate molecular and lattice dynamics simulations of bulk losses in magnesium-oxide nanocubes using a rigid-ion description and investigate the loss spectra for intersecting electron beams. From our analysis we can evaluate the capability of electron energy loss spectroscopy for the investigation of phonon modes at the nanoscale, and we discuss shortcomings of our simplified approach as well as directions for future investigations.

  10. Standardization of Laser Methods and Techniques for Vibration Measurements and Calibrations

    International Nuclear Information System (INIS)

    Martens, Hans-Juergen von

    2010-01-01

    The realization and dissemination of the SI units of motion quantities (vibration and shock) have been based on laser interferometer methods specified in international documentary standards. New and refined laser methods and techniques developed by national metrology institutes and by leading manufacturers in the past two decades have been swiftly specified as standard methods for inclusion into in the series ISO 16063 of international documentary standards. A survey of ISO Standards for the calibration of vibration and shock transducers demonstrates the extended ranges and improved accuracy (measurement uncertainty) of laser methods and techniques for vibration and shock measurements and calibrations. The first standard for the calibration of laser vibrometers by laser interferometry or by a reference accelerometer calibrated by laser interferometry (ISO 16063-41) is on the stage of a Draft International Standard (DIS) and may be issued by the end of 2010. The standard methods with refined techniques proved to achieve wider measurement ranges and smaller measurement uncertainties than that specified in the ISO Standards. The applicability of different standardized interferometer methods to vibrations at high frequencies was recently demonstrated up to 347 kHz (acceleration amplitudes up to 350 km/s 2 ). The relative deviations between the amplitude measurement results of the different interferometer methods that were applied simultaneously, differed by less than 1% in all cases.

  11. SIMULATION OF FORWARD AND BACKWARD WAVES EVOLUTION OF FEW-CYCLE PULSES PROPAGATING IN AN OPTICAL WAVEGUIDE WITH DISPERSION AND CUBIC NONLINEARITY OF ELECTRONIC AND ELECTRONIC-VIBRATION NATURE

    Directory of Open Access Journals (Sweden)

    L. S. Konev

    2015-09-01

    Full Text Available Numerical method for calculation of forward and backward waves of intense few-cycle laser pulses propagating in an optical waveguide with dispersion and cubic nonlinearity of electronic and electronic-vibration nature is described. Simulations made with the implemented algorithm show that accounting for Raman nonlinearity does not lead to qualitative changes in behavior of the backward wave. Speaking about quantitative changes, the increase of efficiency of energy transfer from the forward wave to the backward wave is observed. Presented method can be also used to simulate interaction of counterpropagating pulses.

  12. Regarding "A new method for predicting nonlinear structural vibrations induced by ground impact loading" [Journal of Sound and Vibration, 331/9 (2012) 2129-2140

    Science.gov (United States)

    Cartmell, Matthew P.

    2016-09-01

    The Editor wishes to make the reader aware that the paper "A new method for predicting nonlinear structural vibrations induced by ground impact loading" by Jun Liu, Yu Zhang, Bin Yun, Journal of Sound and Vibration, 331 (2012) 2129-2140, did not contain a direct citation of the fundamental and original work in this field by Dr. Mark Svinkin. The Editor regrets that this omission was not noted at the time that the above paper was accepted and published.

  13. Molecular structure and vibrational spectra of 6-methylquinoline and 8-methylquinoline molecules by quantum mechanical methods

    International Nuclear Information System (INIS)

    Kurt, M.

    2005-01-01

    The molecular geometry and vibrational frequencies of 6-methylquinoline(6MQ) and 8-methylquinolines(8MQ) in the ground state have been calculated by using the Hartree-Fock and density functional methods (B3LYP and BLYP) with 6-31G (d) as the basis set. The optimized geometric bond lengths obtained by using B3LYP and bond angles obtained by BLYP were given corresponding experimental values of similar molecule. Comparison of the observed fundamental vibrational frequencies of these molecules and calculated results by density functional B3LYP, BLYP and Hartree-Fock methods indicates that B3LYP is superior to the scaled Hartree- Fock and BLYP approach for molecular vibrational problems

  14. Application of Time Delay Consideration on Bridge Vibration Control Method with Active Tendons

    Directory of Open Access Journals (Sweden)

    Lezin Seba MINSILI

    2010-12-01

    Full Text Available For many years bridge structures have been designed or constructed as passive structures that rely on their mass and solidity to resist external forces, while being incapable of adapting to the dynamics of an ever-changing environment. When the rigidity assumption is not met in particular for high-rise structures like bridge towers, a proper dynamic model should be established and conclusions made on the differential vibration of the tower when it is investigated out of the bridge system. The present work outlines a vibration control method by tendons on the tower of cable supported structures considering time delay effects, based on the discrete-time Linearization of the Feedback Gain Matrix. The efficiency of this vibration control method first proposed on the design process of a local bridge in Cameroon, is more compatible to the control of civil structures and is of great interest in accordance with simulation results.

  15. 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

  16. A method of measuring and correcting tilt of anti - vibration wind turbines based on screening algorithm

    Science.gov (United States)

    Xiao, Zhongxiu

    2018-04-01

    A Method of Measuring and Correcting Tilt of Anti - vibration Wind Turbines Based on Screening Algorithm is proposed in this paper. First of all, we design a device which the core is the acceleration sensor ADXL203, the inclination is measured by installing it on the tower of the wind turbine as well as the engine room. Next using the Kalman filter algorithm to filter effectively by establishing a state space model for signal and noise. Then we use matlab for simulation. Considering the impact of the tower and nacelle vibration on the collected data, the original data and the filtering data are classified and stored by the Screening algorithm, then filter the filtering data to make the output data more accurate. Finally, we eliminate installation errors by using algorithm to achieve the tilt correction. The device based on this method has high precision, low cost and anti-vibration advantages. It has a wide range of application and promotion value.

  17. A numerical method to calculate flow-induced vibrations in a turbulent flow

    International Nuclear Information System (INIS)

    Sadaoka, Noriyuki; Umegaki, Kikuo

    1993-01-01

    An unsteady fluid force on structures in a turbulent flow can cause their vibration. The phenomenon is the most important among various flow-induced vibrations and it is an important subject in design nuclear plant components such as heat exchangers. A new approach to simulate flow-induced vibrations is introduced. A fully coupled analysis of fluid-structure interaction has been realized in a turbulent flow field by integrating the following calculational steps: (a) solving turbulent flow by a direct simulation method where the ALE (arbitrary Lagrangian Eulerian) type approximation is adopted to take account of structure displacements; (b) estimating fluid force on structures by integrating fluid pressure and shear stress; (c) calculating dynamic response of structures and determining the amount of displacement; (d) regenerate curvilinear grids for new geometry using the boundary-fitted coordinate transformation method. Forced vibration of a circular cylinder in a cross flow were successfully simulated and the synchronization phenomena between Karman-vortices and cylinder vibrations were clearly seen

  18. Simplified analysis method for vibration of fusion reactor components with magnetic damping

    International Nuclear Information System (INIS)

    Tanaka, Yoshikazu; Horie, Tomoyoshi; Niho, Tomoya

    2000-01-01

    This paper describes two simplified analysis methods for the magnetically damped vibration. One is the method modifying the result of finite element uncoupled analysis using the coupling intensity parameter, and the other is the method using the solution and coupled eigenvalues of the single-degree-of-freedom coupled model. To verify these methods, numerical analyses of a plate and a thin cylinder are performed. The comparison between the results of the former method and the finite element tightly coupled analysis show almost satisfactory agreement. The results of the latter method agree very well with the finite element tightly coupled results because of the coupled eigenvalues. Since the vibration with magnetic damping can be evaluated using these methods without finite element coupled analysis, these approximate methods will be practical and useful for the wide range of design analyses taking account of the magnetic damping effect

  19. Evaluating subway drivers’ exposure to whole body vibration based on Basic and VDV methods (with ISO 2631-1 standard

    Directory of Open Access Journals (Sweden)

    A. Khavanin

    2014-07-01

    Conclusion: Investigation of the result obtained from Basic method and VDV method manifested different amounts of vibration exposure in a way that VDV predicts higher level of risk, compared to basic method. The results shows that some presented indicators can not presented the safe zone in human vibration evaluations.

  20. Femtosecond investigation of electronic and vibrational dynamics of metal nano-objects and local order in glasses

    International Nuclear Information System (INIS)

    Burgin, Julien

    2007-01-01

    In this Ph.D. work we have investigated the electronic and vibrational properties of metallic nano objects as a function of their size, shape and composition, and studied the vibrational modes in glasses, using femtosecond time-resolved spectroscopy. In mono-metallic copper clusters, acceleration of the electron-lattice energy exchanges for sizes smaller than 10 nm has been demonstrated, confirming previous results in gold and silver clusters. The small size regime, i.e., nanoparticles smaller than 2 nm, has been addressed. The results show the limit of the classical confined material approach. In bi-metallic clusters, electron-lattice interaction has been shown to reflect their composition for gold-silver materials, but exhibits a more complex behavior in the case of segregated nickel-silver particles. The impact of shape, structure and environment on the acoustic vibrations of metallic nano-objects has also been studied. Measurements performed in ensemble or pairs of prisms yielded evidence for local fluctuations of their coupling with the substrate. Nano-structuration effects have been demonstrated in nano-columns and segregated components. The vibrational modes associated to local order in glasses have been investigated using a high sensitivity impulsive stimulated Raman scattering technique. The 'defect modes' of normal and densified silica, associated to vibrations of ring structures, have been observed and characterized, yielding information on the evolution of the ring density. Performing similar measurements in germania, we have demonstrated the existence of a vibrational mode due to a similar ring structure and determined its characteristics [fr

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

    Science.gov (United States)

    Hu, Zhan; Zheng, Gangtie

    2016-08-01

    A combined analysis method is developed in the present paper for studying the dynamic properties of a type of geometrically nonlinear vibration isolator, which is composed of push-pull configuration rings. This method combines the geometrically nonlinear theory of curved beams and the Harmonic Balance Method to overcome the difficulty in calculating the vibration and vibration transmissibility under large deformations of the ring structure. Using the proposed method, nonlinear dynamic behaviors of this isolator, such as the lock situation due to the coulomb damping and the usual jump resulting from the nonlinear stiffness, can be investigated. Numerical solutions based on the primary harmonic balance are first verified by direct integration results. Then, the whole procedure of this combined analysis method is demonstrated and validated by slowly sinusoidal sweeping experiments with different amplitudes of the base excitation. Both numerical and experimental results indicate that this type of isolator behaves as a hardening spring with increasing amplitude of the base excitation, which makes it suitable for isolating both steady-state vibrations and transient shocks.

  2. Vibrational Surface Electron-Energy-Loss Spectroscopy Probes Confined Surface-Phonon Modes

    Directory of Open Access Journals (Sweden)

    Hugo Lourenço-Martins

    2017-12-01

    Full Text Available Recently, two reports [Krivanek et al. Nature (London 514, 209 (2014NATUAS0028-083610.1038/nature13870, Lagos et al. Nature (London 543, 529 (2017NATUAS0028-083610.1038/nature21699] have demonstrated the amazing possibility to probe vibrational excitations from nanoparticles with a spatial resolution much smaller than the corresponding free-space phonon wavelength using electron-energy-loss spectroscopy (EELS. While Lagos et al. evidenced a strong spatial and spectral modulation of the EELS signal over a nanoparticle, Krivanek et al. did not. Here, we show that discrepancies among different EELS experiments as well as their relation to optical near- and far-field optical experiments [Dai et al. Science 343, 1125 (2014SCIEAS0036-807510.1126/science.1246833] can be understood by introducing the concept of confined bright and dark surface phonon modes, whose density of states is probed by EELS. Such a concise formalism is the vibrational counterpart of the broadly used formalism for localized surface plasmons [Ouyang and Isaacson Philos. Mag. B 60, 481 (1989PMABDJ1364-281210.1080/13642818908205921, García de Abajo and Aizpurua Phys. Rev. B 56, 15873 (1997PRBMDO0163-182910.1103/PhysRevB.56.15873, García de Abajo and Kociak Phys. Rev. Lett. 100, 106804 (2008PRLTAO0031-900710.1103/PhysRevLett.100.106804, Boudarham and Kociak Phys. Rev. B 85, 245447 (2012PRBMDO1098-012110.1103/PhysRevB.85.245447]; it makes it straightforward to predict or interpret phenomena already known for localized surface plasmons such as environment-related energy shifts or the possibility of 3D mapping of the related surface charge densities [Collins et al. ACS Photonics 2, 1628 (2015APCHD52330-402210.1021/acsphotonics.5b00421].

  3. A first principles study of the mechanical, electronic, and vibrational properties of lead oxide

    Science.gov (United States)

    Zhuravlev, Yu. N.; Korabel'nikov, D. V.

    2017-11-01

    The first principles study of the crystal structure, chemical bonds, elastic and mechanical properties, electron energy band structure and density, and normal long-wave vibrations of nine phases of lead monoxide, dioxide, and tetraoxide has been performed under normal and external pressure within the framework of density functional theory (DFT) with the Perdew-Becke-Ernzerhof (PBE) gradient exchange-correlation functional and its hybrid version with a 25-% Hartree-Fock (HF) exchange contribution in the basis of localized atom orbitals. The behavior of physical parameters has been studied using the cold four- and threeparameter equations of state. The parameters of the crystal structures are in satisfactory agreement with experimental data, and elastic constants indicate their mechanical stability and anisotropy in the elastic properties. The elasticity, shear, and Young moduli, hardness, acoustic velocities, and Debye temperature of dioxide on the one hand and monoxide and tetraoxide on the other hand appreciably differ from each other. The difference between electron properties may be explained by the character of hybridization in the upper filled and lower empty energy bands as evident from the density of states. In monoxide, the indirect band gap width decreases with increasing pressure at a rate of 0.16 eV/GPa, and the direct band gap width increases at a rate of 0.13 eV/GPa. To identify crystalline phases, the frequencies and intensities of long-wave modes active in IR and Raman spectra have been calculated.

  4. H2+ embedded in a Debye plasma: Electronic and vibrational properties

    International Nuclear Information System (INIS)

    Angel, M.L.; Montgomery, H.E.

    2011-01-01

    The effect of plasma screening on the electronic and vibrational properties of the H 2 + molecular ion was analyzed within the Born-Oppenheimer approximation. When a molecule is embedded in a plasma, the plasma screens the electrostatic interactions. This screening is accounted in the Schroedinger equation by replacing the Coulomb potentials with Yukawa potentials that incorporate the Debye length as a screening parameter. Variational expansions in confocal elliptical coordinates were used to calculate energies of the 1sσ g and 2pσ u states over a range of Debye lengths and bond distances. When the Debye length is comparable to the equilibrium bond distance, the dissociation energy is reduced while the equilibrium internuclear separation is increased. Expectation values, static dipole polarizabilities and spectroscopic constants were calculated for the 1sσ g state. - Highlights: → Effect of plasma screening on the properties of the H 2 + molecular ion. → Used a variational wavefunction in confocal elliptical coordinates. → Potential energy curves for the ground and first excited state are presented. → Decreasing Debye length increases polarizability of the electron distribution.

  5. Fluid-Induced Vibration Analysis for Reactor Internals Using Computational FSI Method

    Energy Technology Data Exchange (ETDEWEB)

    Moon, Jong Sung; Yi, Kun Woo; Sung, Ki Kwang; Im, In Young; Choi, Taek Sang [KEPCO E and C, Daejeon (Korea, Republic of)

    2013-10-15

    This paper introduces a fluid-induced vibration analysis method which calculates the response of the RVI to both deterministic and random loads at once and utilizes more realistic pressure distribution using the computational Fluid Structure Interaction (FSI) method. As addressed above, the FIV analysis for the RVI was carried out using the computational FSI method. This method calculates the response to deterministic and random turbulence loads at once. This method is also a simple and integrative method to get structural dynamic responses of reactor internals to various flow-induced loads. Because the analysis of this paper omitted the bypass flow region and Inner Barrel Assembly (IBA) due to the limitation of computer resources, it is necessary to find an effective way to consider all regions in the RV for the FIV analysis in the future. Reactor coolant flow makes Reactor Vessel Internals (RVI) vibrate and may affect the structural integrity of them. U. S. NRC Regulatory Guide 1.20 requires the Comprehensive Vibration Assessment Program (CVAP) to verify the structural integrity of the RVI for Fluid-Induced Vibration (FIV). The hydraulic forces on the RVI of OPR1000 and APR1400 were computed from the hydraulic formulas and the CVAP measurements in Palo Verde Unit 1 and Yonggwang Unit 4 for the structural vibration analyses. In this method, the hydraulic forces were divided into deterministic and random turbulence loads and were used for the excitation forces of the separate structural analyses. These forces are applied to the finite element model and the responses to them were combined into the resultant stresses.

  6. Method of monitoring fuel-rod vibrations in a nuclear fuel reactor

    International Nuclear Information System (INIS)

    Kawamura, Makoto; Takai, Katsuaki.

    1985-01-01

    Purpose: To monitor the vibration modes of fuel rods continuously and on real time during operation of a PWR type nuclear reactor. Method: Vibrations of fuel rods during reactor operation are mainly caused by the lateral flow of coolants flowing through the gaps at the joints of reactor core buffle plates into a reactor core and fretting damages may possibly be caused to the fuel rod support portions due to the vibrations. In view of the above, self-powered detectors are disposed at a plurality of axial positions for the respective peripheral fuel assemblies in adjacent with the buffle plates and the detection signals from neutron detectors, that is, the fluctuations in neutrons are subjected to a frequency analysis during the operation period. The neutron detectors are disposed at the periphery of the reactor core, because the fuel assemblies disposed at the peripheral portion directly undergo the lateral flow from the joints of the buffle plates and vibrates most violently. Thus, the vibration situations can be monitored continuously, in a three demensional manner and on real time. (Moriyama, K.)

  7. Improved time-dependent harmonic oscillator method for vibrationally inelastic collisions

    International Nuclear Information System (INIS)

    DePristo, A.E.

    1985-01-01

    A quantal solution to vibrationally inelastic collisions is presented based upon a linear expansion of the interaction potential around the time-dependent classical positions of all translational and vibrational degrees of freedom. The full time-dependent wave function is a product of a Gaussian translational wave packet and a multidimensional harmonic oscillator wave function, both centered around the appropriate classical position variables. The computational requirements are small since the initial vibrational coordinates are the equilibrium values in the classical trajectory (i.e., phase space sampling does not occur). Different choices of the initial width of the translational wave packet and the initial classical translational momenta are possible, and two combinations are investigated. The first involves setting the initial classical momenta equal to the quantal expectation value, and varying the width to satisfy normalization of the transition probability matrix. The second involves adjusting the initial classical momenta to ensure detailed balancing for each set of transitions, i→f and f→i, and varying the width to satisfy normalization. This choice illustrates the origin of the empirical correction of using the arithmetic average momenta as the initial classical momenta in the forced oscillator approximation. Both methods are tested for the collinear collision systems CO 2 --(He, Ne), and are found to be accurate except for near-resonant vibration--vibration exchange at low initial kinetic energies

  8. 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

  9. Study on Vibration Reduction Method for a Subway Station in Soft Ground

    Directory of Open Access Journals (Sweden)

    Xian-Feng Ma

    2017-01-01

    Full Text Available With the rapid development of metro system in urban areas, vibration and its impact on adjacent structures caused by metro operation have drawn much attention of researches and worries relating to it have risen. This paper analyzed the vibration attenuation and the environment impact by a case study of a subway station in soft ground with adjacent laboratory building. A method of setting a compound separation barrier surrounding the station is checked and different materials used in the barrier have been tried and tested through numerical analysis. Key parameters of the material and the effects of vibration reduction are studied with the purpose that similar methodology and findings can be referenced in future practices.

  10. Nondestructive assessment of single-span timber bridges using a vibration- based method

    Science.gov (United States)

    Xiping Wang; James P. Wacker; Angus M. Morison; John W. Forsman; John R. Erickson; Robert J. Ross

    2005-01-01

    This paper describes an effort to develop a global dynamic testing technique for evaluating the overall stiffness of timber bridge superstructures. A forced vibration method was used to measure the natural frequency of single-span timber bridges in the laboratory and field. An analytical model based on simple beam theory was proposed to represent the relationship...

  11. Determining shear modulus of thin wood composite materials using a cantilever beam vibration method

    Science.gov (United States)

    Cheng Guan; Houjiang Zhang; John F. Hunt; Haicheng Yan

    2016-01-01

    Shear modulus (G) of thin wood composite materials is one of several important indicators that characterizes mechanical properties. However, there is not an easy method to obtain this value. This study presents the use of a newly developed cantilever beam free vibration test apparatus to detect in-plane G of thin wood composite...

  12. Nondestructive assessment of timber bridges using a vibration-based method

    Science.gov (United States)

    Xiping Wang; James P. Wacker; Robert J. Ross; Brian K. Brashaw

    2005-01-01

    This paper describes an effort to develop a global dynamic testing technique for evaluating the overall stiffness of timber bridge superstructures. A forced vibration method was used to measure the natural frequency of single-span timber bridges in the laboratory and field. An analytical model based on simple beam theory was proposed to represent the relationship...

  13. Quantum-mechanical theory for electronic-vibrational-rotational energy transfer in atom--diatom collisions: Analysis of the Hamiltonian

    International Nuclear Information System (INIS)

    Bellum, J.C.; McGuire, P.

    1983-01-01

    We investigate forms of the molecular system Hamiltonian valid for rigorous quantum-mechanical treatments of inelastic atom--diatom collisions characterized by exchange of energy between electronic, vibrational, and rotational degrees of freedom. We analyze this Hamiltonian in terms of various choices of independent coordinates which unambiguously specify the electronic and nuclear positions in the context of space-fixed and body-fixed reference frames. In particular we derive forms of the Hamiltonian in the context of the following four sets of independent coordinates: (1) a so-called space-fixed set, in which both electronic and nuclear positions are relative to the space-fixed frame; (2) a so-called mixed set, in which nuclear positions are relative to the body-fixed frame while electronic positions are relative to the space-fixed frame; (3) a so-called body-fixed set, in which both electronic and nuclear positions are relative to the body-fixed frame; and (4) another mixed set, in which nuclear positions are relative to the space-fixed frame while electronic positions are relative to the body-fixed frame. Based on practical considerations in accounting for electronic structure and nonadiabatic coupling of electronic states of the collision complex we find the forms of the Hamiltonian in the context of coordinate sets (3) and (4) above to be most appropriate, respectively, for body-fixed and space-fixed treatments of nuclear dynamics in collisional transfer of electronic, vibrational, and rotational energies

  14. Commutator perturbation method in the study of vibrational-rotational spectra of diatomic molecules

    International Nuclear Information System (INIS)

    Matamala-Vasquez, A.; Karwowski, J.

    2000-01-01

    The commutator perturbation method, an algebraic version of the Van Vleck-Primas perturbation method, expressed in terms of ladder operators, has been applied to solving the eigenvalue problem of the Hamiltonian describing the vibrational-rotational motion of a diatomic molecule. The physical model used in this work is based on Dunham's approach. The method facilitates obtaining both energies and eigenvectors in an algebraic way

  15. Drafting method of electricity and electron design

    International Nuclear Information System (INIS)

    Gungbon, Junchun

    1989-11-01

    This book concentrates on drafting of electricity and electron design. It deals with The meaning of electricity and electron drafting JIS standard regulation the types of drafting and line and letter, basics drafting with projection drafting method, plan projection and development elevation, Drafting method of shop drawing, practical method of design and drafting, Design and drafting of technic and illustration, Connection diagram, Drafting of wiring diagram for light and illumination, Drafting of development connection diagram for sequence control, Drafting of logic circuit sign of flow chart and manual, drafting for a electron circuit diagram and Drawing of PC board.

  16. The method of executing the vibration tendency management of the intermittent driving equipment in the nuclear plant

    International Nuclear Information System (INIS)

    Yonekawa, Yutaka; Fukunaga, Tatsuya

    2008-01-01

    The main rotary machine is often an intermittent driving machine in the nuclear plant. On the other hand, it was a problem for the vibration method to detect the vibration when rotating, and very to achieve the vibration tendency management for the equipment that did not rotate though it positively worked on the introduction of the equipment diagnosis technology by the vibration method of the rotation equipment in the nuclear plant. This time, because the tendency management system of the intermittent driving equipment is developed, and the tendency management was achieved, it introduces the outline and an actual case. (author)

  17. Origin of enhanced vibrational excitation in N2 by electron impact in the 15--35 eV region

    International Nuclear Information System (INIS)

    Dehmer, J.L.; Siegel, J.; Welch, J.; Dill, D.

    1980-01-01

    The authors calculate the integrated vibrational excitation cross section for e-N 2 scattering in the interval 0 --50 eV using the continuum multiple-scattering model with the Hara exchange approximation. Resonant enhancement is observed at 2.4 eV owing to the well-known π/sub g/ shape resonance. In addition, however, enhanced vibrational excitation is found centered at approx.26 eV, arising from a broad shape resonance in the sigma/sub u/ channel. The authors propose this one-electron feature as the main source of the enhanced vibrational excitation observed by Pavlovic et al. in the 15--35 eV region

  18. Electronic and vibrational signatures of the Au102(p-MBA)44 cluster.

    Science.gov (United States)

    Hulkko, Eero; Lopez-Acevedo, Olga; Koivisto, Jaakko; Levi-Kalisman, Yael; Kornberg, Roger D; Pettersson, Mika; Häkkinen, Hannu

    2011-03-23

    Optical absorption of a gold nanocluster of 102 Au atoms protected by 44 para-mercaptobenzoic acid (p-MBA) ligands is measured in the range of 0.05-6.2 eV (mid-IR to UV) by a combination of several techniques for purified samples in solid and solution phases. The results are compared to calculations for a model cluster Au(102)(SMe)(44) based on the time-dependent density functional theory in the linear-response regime and using the known structure of Au(102)(p-MBA)(44). The measured and calculated molar absorption coefficients in the NIR-vis region are comparable, within a factor of 2, in the absolute scale. Several characteristic features are observed in the absorption in the range of 1.5-3.5 eV. The onset of the electronic transitions in the mid-IR region is experimentally observed at 0.45 ± 0.05 eV which compares well with the lowest calculated transition at 0.55 eV. Vibrations in the ligand layer give rise to fingerprint IR features below the onset of low-energy metal-to-metal electronic transitions. Partial exchange of the p-MBA ligand to glutathione does not affect the onset of the electronic transitions, which indicates that the metal core of the cluster is not affected by the ligand exchange. The full spectroscopic characterization of the Au(102)(p-MBA)(44) reported here for the first time gives benchmarks for further studies of manipulation and functionalization of this nanocluster to various applications.

  19. Application of R-matrix theory to resonant reactive electron-molecule scattering: Vibrational excitation and dissociative attachment of N2 and F2

    International Nuclear Information System (INIS)

    Wong, C.F.; Light, J.C.

    1984-01-01

    Based on the R-matrix approach of Schneider et al. [J. Phys. B 12, L 365 (1979)] to reactive electron-molecule scattering, a new propagative R-matrix method (PRMM) is presented which is more appropriate for polyatomic systems. The new method should be useful in other calculations where complicated integrals need to be propagated. We also introduce an effective R-matrix model (ERMM) in which the usual resonance parameters (potential and width) can be used as input in model R-matrix calculations. The PRMM and ERMM have been applied to the electron-N 2 system and the electron-F 2 system. The results agree very well with previous calculations for both vibrationally inelastic scattering and dissociative attachment when identical potentials and parameters are used

  20. Survey of electronic payment methods and systems

    NARCIS (Netherlands)

    Havinga, Paul J.M.; Smit, Gerardus Johannes Maria; Helme, A.; Verbraeck, A.

    1996-01-01

    In this paper an overview of electronic payment methods and systems is given. This survey is done as part of the Moby Dick project. Electronic payment systems can be grouped into three broad classes: traditional money transactions, digital currency and creditdebit payments. Such payment systems have

  1. An active vibration control method of bridge structures by the ...

    African Journals Online (AJOL)

    The 'Linearization of Feedback Gain Matrix' (LFGM) method proposed by the author to achieve this objective is obtained by activating some useful components of the Riccati matrix while others are strongly attenuated according to the expected output-results and requirements of control mechanism. The present algorithm is ...

  2. Dynamic determination of modulus of elasticity of full-size wood composite panels using a vibration method

    Science.gov (United States)

    Cheng Guan; Houjiang Zhang; Lujing Zhou; Xiping Wang

    2015-01-01

    A vibration testing method based on free vibration theory in a ‘‘free–free” support condition was investigated for evaluating the modulus of elasticity (MOE) of full-size wood composite panels (WCPs). Vibration experiments were conducted on three types of WCPs (medium density fibreboard, particleboard, and plywood) to determine the dynamic MOE of the panels. Static...

  3. Femtosecond stimulated Raman spectroscopy as a tool to detect molecular vibrations in ground and excited electronic states

    Energy Technology Data Exchange (ETDEWEB)

    Gelin, Maxim F.; Domcke, Wolfgang [Department of Chemistry, Technische Universität München, D-85747 Garching (Germany); Rao, B. Jayachander [Departamento de Química and Centro de Química, Universidade de Coimbra, 3004-535 Coimbra (Portugal)

    2016-05-14

    We give a detailed theoretical analysis of the simplest variant of femtosecond stimulated Raman spectroscopy, where a picosecond Raman pump pulse and a femtosecond Raman probe pulse are applied resonantly to a chromophore in thermal equilibrium in the ground electronic state. We demonstrate that this technique is capable of the detection of dephasing-free Raman-like lines revealing vibrational modes not only in the electronic ground state but also in the excited electronic state of the chromophore. The analytical results obtained with simplifying assumptions for the shape of the laser pulses are substantiated by numerical simulations with realistic laser pulses, employing the equation-of-motion phase-matching approach.

  4. A novel signal compression method based on optimal ensemble empirical mode decomposition for bearing vibration signals

    Science.gov (United States)

    Guo, Wei; Tse, Peter W.

    2013-01-01

    Today, remote machine condition monitoring is popular due to the continuous advancement in wireless communication. Bearing is the most frequently and easily failed component in many rotating machines. To accurately identify the type of bearing fault, large amounts of vibration data need to be collected. However, the volume of transmitted data cannot be too high because the bandwidth of wireless communication is limited. To solve this problem, the data are usually compressed before transmitting to a remote maintenance center. This paper proposes a novel signal compression method that can substantially reduce the amount of data that need to be transmitted without sacrificing the accuracy of fault identification. The proposed signal compression method is based on ensemble empirical mode decomposition (EEMD), which is an effective method for adaptively decomposing the vibration signal into different bands of signal components, termed intrinsic mode functions (IMFs). An optimization method was designed to automatically select appropriate EEMD parameters for the analyzed signal, and in particular to select the appropriate level of the added white noise in the EEMD method. An index termed the relative root-mean-square error was used to evaluate the decomposition performances under different noise levels to find the optimal level. After applying the optimal EEMD method to a vibration signal, the IMF relating to the bearing fault can be extracted from the original vibration signal. Compressing this signal component obtains a much smaller proportion of data samples to be retained for transmission and further reconstruction. The proposed compression method were also compared with the popular wavelet compression method. Experimental results demonstrate that the optimization of EEMD parameters can automatically find appropriate EEMD parameters for the analyzed signals, and the IMF-based compression method provides a higher compression ratio, while retaining the bearing defect

  5. A review on fatigue life prediction methods for anti-vibration rubber materials

    Directory of Open Access Journals (Sweden)

    Xiaoli WANG

    2016-08-01

    Full Text Available Anti-vibration rubber, because of its superior elasticity, plasticity, waterproof and trapping characteristics, is widely used in the automotive industry, national defense, construction and other fields. The theory and technology of predicting fatigue life is of great significance to improve the durability design and manufacturing of anti-vibration rubber products. According to the characteristics of the anti-vibration rubber products in service, the technical difficulties for analyzing fatigue properties of anti-vibration rubber materials are pointed out. The research progress of the fatigue properties of rubber materials is reviewed from three angles including methods of fatigue crack initiation, fatigue crack propagation and fatigue damage accumulation. It is put forward that some nonlinear characteristics of rubber under fatigue loading, including the Mullins effect, permanent deformation and cyclic stress softening, should be considered in the further study of rubber materials. Meanwhile, it is indicated that the fatigue damage accumulation method based on continuum damage mechanics might be more appropriate to solve fatigue damage and life prediction problems for complex rubber materials and structures under fatigue loading.

  6. A low noise discrete velocity method for the Boltzmann equation with quantized rotational and vibrational energy

    Science.gov (United States)

    Clarke, Peter; Varghese, Philip; Goldstein, David

    2018-01-01

    A discrete velocity method is developed for gas mixtures of diatomic molecules with both rotational and vibrational energy states. A full quantized model is described, and rotation-translation and vibration-translation energy exchanges are simulated using a Larsen-Borgnakke exchange model. Elastic and inelastic molecular interactions are modeled during every simulated collision to help produce smooth internal energy distributions. The method is verified by comparing simulations of homogeneous relaxation by our discrete velocity method to numerical solutions of the Jeans and Landau-Teller equations, and to direct simulation Monte Carlo. We compute the structure of a 1D shock using this method, and determine how the rotational energy distribution varies with spatial location in the shock and with position in velocity space.

  7. A First-Principles Study on the Vibrational and Electronic Properties of Zr-C MXenes

    Science.gov (United States)

    Wang, Chang-Ying; Guo, Yong-Liang; Zhao, Yuan-Yuan; Zeng, Guang-Li; Zhang, Wei; Ren, Cui-Lan; Han, Han; Huai, Ping

    2018-03-01

    Within the framework of density functional theory calculations, the structural, vibrational, and electronic properties of Zr n C n - 1 (n = 2, 3, and 4) and their functionalized MXenes have been investigated. We find that the most stable configurations for Zr-C MXene are the ones that the terminal groups F, O, and OH locate on the common hollow site of the superficial Zr layer and its adjacent C layer. F and OH-terminated Zr 3 C 2 and Zr 4 C 3 have small imaginary acoustic phonon branches around Γ point while the others have no negative phonon modes. The pristine MXenes (Zr 2 C, Zr 3 C 2 and Zr 4 C 3 ) are all metallic with large DOS contributed by the Zr atom at the Fermi energy. When functionalized by F, O and OH, new hybridization states appear and the DOS at the Fermi level are reduced. Moreover, we find that their metallic characteristic increases with an increase in n. For (Zr n C n - 1 )O 2, Zr 2 CO 2 is a semiconductor, Zr 3C2O2 is a semimetal, and Zr 4 C 3O2 becomes a metal. Supported by the National Natural Science Foundation of China under Grant Nos. 11605273, 21571185, U1404111, 11504089, 21501189, 21676291, the Shanghai Municipal Science and Technology Commission 16ZR1443100, the Strategic Priority Research Program of the Chinese Academy of Sciences (XDA02040104)

  8. METHOD OF COMPENSATING LOADS FOR SHALLOW SHELLS. VIBRATION AND STABILITY PROBLEMS

    OpenAIRE

    Tran Duc Chinh

    2015-01-01

    Based on the integral representation of the displacements functions through Green's functions, the author proposed a method to solve the system of differential equations of the given problem. The equations were solved approximately by reducing to algebraic equations by finite difference techniques in Samarsky scheme. Some examples are given for calculation of eigenvalues of shallow shell vibration problem, which are compared with results received by Onyashvili using Galerkin method.

  9. METHOD OF COMPENSATING LOADS FOR SHALLOW SHELLS. VIBRATION AND STABILITY PROBLEMS

    Directory of Open Access Journals (Sweden)

    Tran Duc Chinh

    2015-12-01

    Full Text Available Based on the integral representation of the displacements functions through Green's functions, the author proposed a method to solve the system of differential equations of the given problem. The equations were solved approximately by reducing to algebraic equations by finite difference techniques in Samarsky scheme. Some examples are given for calculation of eigenvalues of shallow shell vibration problem, which are compared with results received by Onyashvili using Galerkin method.

  10. a Method for Preview Vibration Control of Systems Having Forcing Inputs and Rapidly-Switched Dampers

    Science.gov (United States)

    ElBeheiry, E. M.

    1998-07-01

    In a variety of applications, especially in large scale dynamic systems, the mechanization of different vibration control elements in different locations would be decided by limitations placed on the modal vibration of the system and the inherent dynamic coupling between its modes. Also, the quality of vibration control to the economy of producing the whole system would be another trade-off leading to a mix of passive, active and semi-active vibration control elements in one system. This termactiveis limited to externally powered vibration control inputs and the termsemi-activeis limited to rapidly switched dampers. In this article, an optimal preview control method is developed for application to dynamic systems having active and semi-active vibration control elements mechanized at different locations in one system. The system is then a piecewise (bilinear) controller in which two independent sets of control inputs appear additively and multiplicatively. Calculus of variations along with the Hamiltonian approach are employed for the derivation of this method. In essence, it requires the active elements to be ideal force generators and the switched dampers to have the property of on-line variation of the damping characteristics to pre-determined limits. As the dampers switch during operation the whole system's structure differs, and then values of the active forcing inputs are adapted to match these rapid changes. Strictly speaking, each rapidly switched damper has pre-known upper and lower damping levels and it can take on any in-between value. This in-between value is to be determined by the method as long as the damper tracks a pre-known fully active control demand. In every damping state of each semi-active damper the method provides the optimal matching values of the active forcing inputs. The method is shown to have the feature of solving simple standard matrix equations to obtain closed form solutions. A comprehensive 9-DOF tractor semi-trailer model is used

  11. 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...

  12. Horizontal vibration suppression method suitable for super-high-speed elevators; Chokosoku elevator ni tekishita kago yokoshindo yokusei hoshiki

    Energy Technology Data Exchange (ETDEWEB)

    Muto, N. [Hitachi, Ltd., Tokyo (Japan); Kagomiya, K.; Kurosawa, T.; Konya, M> ; Ando, T. [Hitachi Building System Co. Ltd., Tokyo (Japan)

    1998-03-01

    Horizontal vibrations of elevator cars mainly occur because a car swings as roller guides installed at corners of a car frame move on a winding guide rail at high speeds. Rider comfort in high speed elevators is worsened by these vibrations. Conventional active dampers suppressing horizontal vibrations using ac servo motors make cars heavier so driving power becomes larger, and they are not easily applied to existing elevators. An active damping control method suited to super-high-speed elevators is which can solve these problems. The method suppresses vibrations by generating only enough magnetic force needed to suppress them only when vibrations of the car franc are produced. The vibrations are detected using acceleration detectors and magnets installed on left and right sides of the car frame. A computer simulator was made to analyze phenomena of car vibrations and to verify effects of the proposed magnetic damping controller. It was found that the vibrations generated on the cabin floor were remarkably large when left and right sides at the upper and lower parts of the car frame were swung by sine waves with the same phase. The vibrations bad two resonant modes. Results obtained with the computer simulator and a full scale running simulator showed that the acceleration on the cabin floor, even at the resonant frequencies, could be reduced by the magnetic damping control to around 0.1m/s{sup 2} which would provide a comfortable ride. 10 refs., 14 figs.

  13. The mechanical spectra of deposited materials by a composite reed vibration method

    International Nuclear Information System (INIS)

    Ying, X.N.; Zhang, L.; Yuan, Y.H.

    2010-01-01

    Recently a composite reed vibration method has been designed to measure the mechanical spectra (complex Young's modulus) of materials from liquid to solid state. The mechanical spectra of materials can be obtained from a composite system consisting of a substrate reed and of materials deposited on it. In this report, two sets of formulas to calculate the mechanical spectra of deposited materials are further analyzed. The proof is given for the previous named 'approximate formulas' (labeled as Formula II). Then the composite reed vibration method can be safely used as an extension of the mechanical spectrum method of the thin solid film. At the same time, some comments are made on previous analytical formulas (labeled as Formula I). At last, more experiments with a small amount of deposited materials are performed. It is found that smaller quantity is more favorable to achieve the intrinsic mechanical spectra of deposited materials.

  14. Electron energy distribution functions and thermalization times in methane and in argon--methane mixtures: An effect of vibrational excitation processes

    International Nuclear Information System (INIS)

    Krajcar-Bronic, I.; Kimura, M.

    1995-01-01

    Electron thermalization in methane and argon--methane mixtures is studied by using the Boltzmann equation. The presence of low-lying vibrational excited states in methane significantly changes electron energy distribution functions and relaxation times. We found that (i) the mean electron energy just below the first vibrational excited state is reached faster by 1000 times when the vibrational states are taken into account, and (ii) electron energy distribution functions have distinct peaks at energy intervals equal to the vibrational threshold energies. Both these effects are due to large vibrational stopping cross section. The thermalization time in mixtures of argon--methane (without vibrational states) smoothly changes as the mixture composition varies, and no significant difference in the electron energy distribution function is observed. When the vibrational excited states are taken into account, thermalization is almost completely defined by CH 4 , even at very low fractional concentrations of CH 4 . The sensitivity of the electron energy distribution functions on the momentum transfer cross sections used in calculation on the thermalization is discussed. copyright 1995 American Institute of Physics

  15. Nonlinear vibration analysis of a rotor supported by magnetic bearings using homotopy perturbation method

    Directory of Open Access Journals (Sweden)

    Aboozar Heydari

    2017-09-01

    Full Text Available In this paper, the effects of nonlinear forces due to the electromagnetic field of bearing and the unbalancing force on nonlinear vibration behavior of a rotor is investigated. The rotor is modeled as a rigid body that is supported by two magnetic bearings with eight-polar structures. The governing dynamics equations of the system that are coupled nonlinear second order ordinary differential equations (ODEs are derived, and for solving these equations, the homotopy perturbation method (HPM is used. By applying HPM, the possibility of presenting a harmonic semi-analytical solution, is provided. In fact, with equality the coefficient of auxiliary parameter (p, the system of coupled nonlinear second order and non-homogenous differential equations are obtained so that consists of unbalancing effects. By considering some initial condition for displacement and velocity in the horizontal and vertical directions, free vibration analysis is done and next, the forced vibration analysis under the effect of harmonic forces also is investigated. Likewise, various parameters on the vibration behavior of rotor are studied. Changes in amplitude and response phase per excitation frequency are investigated. Results show that by increasing excitation frequency, the motion amplitude is also increases and by passing the critical speed, it decreases. Also it shows that the magnetic bearing system performance is in stable maintenance of rotor. The parameters affecting on vibration behavior, has been studied and by comparison the results with the other references, which have a good precision up to 2nd order of embedding parameter, it implies the accuracy of this method in current research.

  16. Evaluation of climatic vibration testing on plastic waterproof enclosure for electronic equipment using ANSYS[reg] workbench

    International Nuclear Information System (INIS)

    Aw, K.C.; Huang, W.D.J.; De Silva, M.W.R.P.

    2007-01-01

    Designing and testing of waterproof enclosure for electronic equipment involves significant amount of time and resources. This paper concentrates on electronic equipment used for maritime application. Typical waterproof test perform is based on the IEC 60529 standards and is insufficient to determine its reliability. Since, these enclosures were subjected to environmental stress such as heat and vibration and there is a need to understand how these affect the waterproof performance. Simulation using ANSYS workbench software was performed to comprehend the effect of various parameters of accelerated testing performed on these waterproof enclosures. Experiments were performed to examine the correlation with simulation results. The results confirmed that accelerated testing with random vibration at cold temperature causes greatest stress and causes degradation to adhesive bonds and hence affect the waterproof performance

  17. Method and device for monitoring vibration of incore neutron detector guide tube

    International Nuclear Information System (INIS)

    Enomoto, Mitsuhiro; Naito, Norio; Oda, Akira.

    1978-01-01

    Purpose: To easily detect the vibration of an incore neutron detector guide tube and to prevent the occurrence of such accidents that the guide tube comes into contact with the fuel channel box arranged around the periphery thereof to break the channel box. Method: A neutron detector guide tube is disposed within a channel box, and the neutron detector is arranged at the center of the guide tube. Now, when the guide tube vibrates at an inherent number of vibration and a predetermined amplitude, the guide tube moves in the radial direction by the predetermined amplitude part to come into contact with the channel box. Upon this occasion, the detector similarity vibrates, and the output signal is varied by the predetermined neutron flux variation part. This output signal is sent to a comparator through an analyser, and compared with the output signal produced from a device wherein the result analysed at normal time, and the output signal is sent to an alarm device and an indicator, respectively. (Aizawa, K.)

  18. Vibrational spectroscopic study and NBO analysis on tranexamic acid using DFT method

    Science.gov (United States)

    Muthu, S.; Prabhakaran, A.

    2014-08-01

    In this work, we reported the vibrational spectra of tranexamic acid (TA) by experimental and quantum chemical calculation. The solid phase FT-Raman and FT-IR spectra of the title compound were recorded in the region 4000 cm-1 to 100 cm-1 and 4000 cm-1 to 400 cm-1 respectively. The molecular geometry, harmonic vibrational frequencies and bonding features of TA in the ground state have been calculated by using density functional theory (DFT) B3LYP method with standard 6-31G(d,p) basis set. The scaled theoretical wavenumber showed very good agreement with the experimental values. The vibrational assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes. Stability of the molecule, arising from hyperconjugative interactions and charge delocalization, has been analyzed using Natural Bond Orbital (NBO) analysis. The results show that ED in the σ* and π* antibonding orbitals and second order delocalization energies E(2) confirm the occurrence of intramolecular charge transfer (ICT) within the molecule. The electrostatic potential mapped onto an isodensity surface has been obtained. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. The thermodynamic properties (heat capacity, entropy, and enthalpy) of the title compound at different temperatures were calculated in gas phase.

  19. Investigation of oxygen vibrational relaxation by quasi-classical trajectory method

    International Nuclear Information System (INIS)

    Andrienko, Daniil; Boyd, Iain D.

    2015-01-01

    Highlights: • Importance of attraction for the O 2 –O energy exchange in hypersonic flows. • O 2 –O vibrational relaxation time cannot be described by the Millikan–White equation. • Weak dependence of exothermic transition rates on translational temperature. • Multiquantum jumps in molecular oxygen occur mostly via the exchange reaction. - Abstract: O 2 –O collisions are studied by the quasi-classical trajectory method. A full set of cross sections for the vibrational ladder is obtained utilizing an accurate O 3 potential energy surface. Vibrational relaxation is investigated at temperatures between 1000 and 10,000 K, that are relevant to hypersonic flows. The relaxation time is derived based on the removal rate for the first excited vibrational level. A significant deviation from the formula by Millikan and White is observed for temperatures beyond those reported in experimental work. Relaxation becomes less efficient at high temperatures, suggesting that the efficiency of the energy randomization is strongly to the attractive component of the O 3 potential energy surface. These results are explained by analyzing the microscopic parameter of collisions that reflects the number of exchanges in the shortest interatomic distance. The rates of exothermic transitions are found to be nearly independent of the translational temperature in the range of interest.

  20. A Comparison of Vibration and Oil Debris Gear Damage Detection Methods Applied to Pitting Damage

    Science.gov (United States)

    Dempsey, Paula J.

    2000-01-01

    Helicopter Health Usage Monitoring Systems (HUMS) must provide reliable, real-time performance monitoring of helicopter operating parameters to prevent damage of flight critical components. Helicopter transmission diagnostics are an important part of a helicopter HUMS. In order to improve the reliability of transmission diagnostics, many researchers propose combining two technologies, vibration and oil monitoring, using data fusion and intelligent systems. Some benefits of combining multiple sensors to make decisions include improved detection capabilities and increased probability the event is detected. However, if the sensors are inaccurate, or the features extracted from the sensors are poor predictors of transmission health, integration of these sensors will decrease the accuracy of damage prediction. For this reason, one must verify the individual integrity of vibration and oil analysis methods prior to integrating the two technologies. This research focuses on comparing the capability of two vibration algorithms, FM4 and NA4, and a commercially available on-line oil debris monitor to detect pitting damage on spur gears in the NASA Glenn Research Center Spur Gear Fatigue Test Rig. Results from this research indicate that the rate of change of debris mass measured by the oil debris monitor is comparable to the vibration algorithms in detecting gear pitting damage.

  1. Errors in the estimation method for the rejection of vibrations in adaptive optics systems

    Science.gov (United States)

    Kania, Dariusz

    2017-06-01

    In recent years the problem of the mechanical vibrations impact in adaptive optics (AO) systems has been renewed. These signals are damped sinusoidal signals and have deleterious effect on the system. One of software solutions to reject the vibrations is an adaptive method called AVC (Adaptive Vibration Cancellation) where the procedure has three steps: estimation of perturbation parameters, estimation of the frequency response of the plant, update the reference signal to reject/minimalize the vibration. In the first step a very important problem is the estimation method. A very accurate and fast (below 10 ms) estimation method of these three parameters has been presented in several publications in recent years. The method is based on using the spectrum interpolation and MSD time windows and it can be used to estimate multifrequency signals. In this paper the estimation method is used in the AVC method to increase the system performance. There are several parameters that affect the accuracy of obtained results, e.g. CiR - number of signal periods in a measurement window, N - number of samples in the FFT procedure, H - time window order, SNR, b - number of ADC bits, γ - damping ratio of the tested signal. Systematic errors increase when N, CiR, H decrease and when γ increases. The value for systematic error is approximately 10^-10 Hz/Hz for N = 2048 and CiR = 0.1. This paper presents equations that can used to estimate maximum systematic errors for given values of H, CiR and N before the start of the estimation process.

  2. Removing damped sinusoidal vibrations in adaptive optics systems using a DFT-based estimation method

    Science.gov (United States)

    Kania, Dariusz

    2017-06-01

    The problem of a vibrations rejection in adaptive optics systems is still present in publications. These undesirable signals emerge because of shaking the system structure, the tracking process, etc., and they usually are damped sinusoidal signals. There are some mechanical solutions to reduce the signals but they are not very effective. One of software solutions are very popular adaptive methods. An AVC (Adaptive Vibration Cancellation) method has been presented and developed in recent years. The method is based on the estimation of three vibrations parameters and values of frequency, amplitude and phase are essential to produce and adjust a proper signal to reduce or eliminate vibrations signals. This paper presents a fast (below 10 ms) and accurate estimation method of frequency, amplitude and phase of a multifrequency signal that can be used in the AVC method to increase the AO system performance. The method accuracy depends on several parameters: CiR - number of signal periods in a measurement window, N - number of samples in the FFT procedure, H - time window order, SNR, THD, b - number of A/D converter bits in a real time system, γ - the damping ratio of the tested signal, φ - the phase of the tested signal. Systematic errors increase when N, CiR, H decrease and when γ increases. The value of systematic error for γ = 0.1%, CiR = 1.1 and N = 32 is approximately 10^-4 Hz/Hz. This paper focuses on systematic errors of and effect of the signal phase and values of γ on the results.

  3. Structural characteristics and harmonic vibrational analysis of the stable conformer of 2,3-epoxypropanol by quantum chemical methods.

    Science.gov (United States)

    Arjunan, V; Rani, T; Santhanam, R; Mohan, S

    2012-10-01

    The FT-IR and FT-Raman spectra of H bond inner conformer of 2,3-epoxypropanol have been recorded in the regions 3700-400 and 3700-100 cm(-1), respectively. The spectra were interpreted in terms of fundamentals modes, combination and overtone bands. The normal coordinate analysis was carried out to confirm the precision of the assignments. The structure of the conformers H bond inner and H bond outer1 were optimised and the structural characteristics were determined by density functional theory (DFT) using B3LYP and MP2 methods with 6-31G** and 6-311++G** basis sets. The vibrational frequencies were calculated in all these methods and were compared with the experimental frequencies which yield good agreement between observed and calculated frequencies. The electronic properties HOMO and LUMO energies were measured by time-dependent TD-DFT approach. Copyright © 2012 Elsevier B.V. All rights reserved.

  4. Method for analyzing electromagnetic-force-induced vibration and noise analysis; Denjiryoku reiki ni yoru dendoki no shindo hoshaon kaisekiho

    Energy Technology Data Exchange (ETDEWEB)

    Shiohata, K.; Nemoto, K.; Nagawa, Y.; Sakamoto, S.; Kobayashi, T.; Ito, M.; Koharagi, H. [Hitachi, Ltd, Tokyo (Japan)

    1998-11-01

    In this analysis method, electromagnetic force calculated by 2-dimensional analysis is transformed into external force for 3-dimensional structural-vibration analysis. And a modeling procedure for a vibrating structure is developed. Further, a space-modal-resonance criteria which relates electromagnetic force to structural-vibration or noise is introduced. In the structural-vibration analysis, the finite element method is used; and in the noise analysis, the boundary element method is used. Finally, vibration and noise of an induction motor are calculated using this criteria. Consequently, high-accuracy modeling is achieved and noise the calculated by the simulation almost coincides with that obtained by experiments. And it is clarified that the-space-modal resonance criteria is effective in numerical simulation. 11 refs., 9 figs., 3 tabs.

  5. Method of fabricating a cooled electronic system

    Science.gov (United States)

    Chainer, Timothy J; Gaynes, Michael A; Graybill, David P; Iyengar, Madhusudan K; Kamath, Vinod; Kochuparambil, Bejoy J; Schmidt, Roger R; Schultz, Mark D; Simco, Daniel P; Steinke, Mark E

    2014-02-11

    A method of fabricating a liquid-cooled electronic system is provided which includes an electronic assembly having an electronics card and a socket with a latch at one end. The latch facilitates securing of the card within the socket. The method includes providing a liquid-cooled cold rail at the one end of the socket, and a thermal spreader to couple the electronics card to the cold rail. The thermal spreader includes first and second thermal transfer plates coupled to first and second surfaces on opposite sides of the card, and thermally conductive extensions extending from end edges of the plates, which couple the respective transfer plates to the liquid-cooled cold rail. The extensions are disposed to the sides of the latch, and the card is securable within or removable from the socket using the latch without removing the cold rail or the thermal spreader.

  6. First-principles calculations of the electronic, vibrational, and elastic properties of the magnetic laminate Mn2GaC

    International Nuclear Information System (INIS)

    Thore, A.; Dahlqvist, M.; Alling, B.; Rosén, J.

    2014-01-01

    In this paper, we report the by first-principles predicted properties of the recently discovered magnetic MAX phase Mn 2 GaC. The electronic band structure and vibrational dispersion relation, as well as the electronic and vibrational density of states, have been calculated. The band structure close to the Fermi level indicates anisotropy with respect to electrical conductivity, while the distribution of the electronic and vibrational states for both Mn and Ga depend on the chosen relative orientation of the Mn spins across the Ga sheets in the Mn–Ga–Mn trilayers. In addition, the elastic properties have been calculated, and from the five elastic constants, the Voigt bulk modulus is determined to be 157 GPa, the Voigt shear modulus 93 GPa, and the Young's modulus 233 GPa. Furthermore, Mn 2 GaC is found relatively elastically isotropic, with a compression anisotropy factor of 0.97, and shear anisotropy factors of 0.9 and 1, respectively. The Poisson's ratio is 0.25. Evaluated elastic properties are compared to theoretical and experimental results for M 2 AC phases where M = Ti, V, Cr, Zr, Nb, Ta, and A = Al, S, Ge, In, Sn.

  7. Nuclear resonance vibrational spectroscopy applied to [Fe(OEP)(NO)]: the vibrational assignments of five-coordinate ferrous heme-nitrosyls and implications for electronic structure.

    Science.gov (United States)

    Lehnert, Nicolai; Galinato, Mary Grace I; Paulat, Florian; Richter-Addo, George B; Sturhahn, Wolfgang; Xu, Nan; Zhao, Jiyong

    2010-05-03

    This study presents Nuclear Resonance Vibrational Spectroscopy (NRVS) data on the five-coordinate (5C) ferrous heme-nitrosyl complex [Fe(OEP)(NO)] (1, OEP(2-) = octaethylporphyrinato dianion) and the corresponding (15)N(18)O labeled complex. The obtained spectra identify two isotope sensitive features at 522 and 388 cm(-1), which shift to 508 and 381 cm(-1), respectively, upon isotope labeling. These features are assigned to the Fe-NO stretch nu(Fe-NO) and the in-plane Fe-N-O bending mode delta(ip)(Fe-N-O), the latter has been unambiguously assigned for the first time for 1. The obtained NRVS data were simulated using our quantum chemistry centered normal coordinate analysis (QCC-NCA). Since complex 1 can potentially exist in 12 different conformations involving the FeNO and peripheral ethyl orientations, extended density functional theory (DFT) calculations and QCC-NCA simulations were performed to determine how these conformations affect the NRVS properties of [Fe(OEP)NO]. These results show that the properties and force constants of the FeNO unit are hardly affected by the conformational changes involving the ethyl substituents. On the other hand, the NRVS-active porphyrin-based vibrations around 340-360, 300-320, and 250-270 cm(-1) are sensitive to the conformational changes. The spectroscopic changes observed in these regions are due to selective mechanical couplings of one component of E(u)-type (in ideal D(4h) symmetry) porphyrin-based vibrations with the in-plane Fe-N-O bending mode. This leads to the observed variations in Fe(OEP) core mode energies and NRVS intensities without affecting the properties of the FeNO unit. The QCC-NCA simulated NRVS spectra of 1 show excellent agreement with experiment, and indicate that conformer F is likely present in the samples of this complex investigated here. The observed porphyrin-based vibrations in the NRVS spectra of 1 are also assigned based on the QCC-NCA results. The obtained force constants of the Fe-NO and N

  8. Computational methods of electron/photon transport

    International Nuclear Information System (INIS)

    Mack, J.M.

    1983-01-01

    A review of computational methods simulating the non-plasma transport of electrons and their attendant cascades is presented. Remarks are mainly restricted to linearized formalisms at electron energies above 1 keV. The effectiveness of various metods is discussed including moments, point-kernel, invariant imbedding, discrete-ordinates, and Monte Carlo. Future research directions and the potential impact on various aspects of science and engineering are indicated

  9. DFT approach to (benzylthio)acetic acid: Conformational search, molecular (monomer and dimer) structure, vibrational spectroscopy and some electronic properties

    Science.gov (United States)

    Sienkiewicz-Gromiuk, Justyna

    2018-01-01

    The DFT studies were carried out with the B3LYP method utilizing the 6-31G and 6-311++G(d,p) basis sets depending on whether the aim of calculations was to gain the geometry at equilibrium, or to calculate the optimized molecular structure of (benzylthio)acetic acid (Hbta) in the forms of monomer and dimer. The minimum conformational energy search was followed by the potential energy surface (PES) scan of all rotary bonds existing in the acid molecule. The optimized geometrical monomeric and dimeric structures of the title compound were compared with the experimental structural data in the solid state. The detailed vibrational interpretation of experimental infrared and Raman bands was performed on the basis of theoretically simulated ESFF-scaled wavenumbers calculated for the monomer and dimer structures of Hbta. The electronic characteristics of Hbta is also presented in terms of Mulliken atomic charges, frontier molecular orbitals and global reactivity descriptors. Additionally, the MEP and ESP surfaces were computed to predict coordination sites for potential metal complex formation.

  10. The effect of axial loads on free vibration of symmetric frame structures using continuous system method

    Directory of Open Access Journals (Sweden)

    Elham Ghandi

    2016-09-01

    Full Text Available The free vibration of frame structures has been usually studied in literature without considering the effect of axial loads. In this paper, the continuous system method is employed to investigate this effect on the free flexural and torsional vibration of two and three dimensional symmetric frames. In the continuous system method, in approximate analysis of buildings, commonly, the structure is replaced by an equivalent beam which matches the dominant characteristics of the structure. Accordingly, the natural frequencies of the symmetric frame structures are obtained through solving the governing differential equation of the equivalent beam whose stiffness and mass are supposed to be uniformly distributed along the length. The corresponding axial load applied to the replaced beam is calculated based on the total weight and the number of stories of the building. A numerical example is presented to show the simplicity and efficiency of the proposed solution.

  11. Homotopy perturbation method for free vibration analysis of beams on elastic foundation

    International Nuclear Information System (INIS)

    Ozturk, Baki; Coskun, Safa Bozkurt; Koc, Mehmet Zahid; Atay, Mehmet Tarik

    2010-01-01

    In this study, the homotopy perturbation method (HPM) is applied for free vibration analysis of beam on elastic foundation. This numerical method is applied on a previously available case study. Analytical solutions and frequency factors are evaluated for different ratios of axial load N acting on the beam to Euler buckling load, N r . The application of HPM for the particular problem in this study gives results which are in excellent agreement with both analytical solutions and the variational iteration method (VIM) solutions for the case considered in this study and the differential transform method (DTM) results available in the literature.

  12. Research on a new type of precision cropping method with variable frequency vibration

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Aiming at the cropping operations widely applied in practical industry production, a new method of bar cropping is presented. The rotational speeds of actuating motor of eccentric blocks are controlled by a frequency-changer, and the shearing die provides the bar with the controllable force, frequency and amplitude of vibration. By utilizing the stress concentration at the bottom of V shape groove on the bar, the low stress bar cropping is realized. The bar cropping experiments of duralumin alloy and steel ...

  13. 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....

  14. STUDY OF STATIC ELECTRICITY CHARGE ACCUMULATION ON SURFACE OF FLUOROPOLYMER-4 PRODUCTS USING VIBRATING CAPACITOR METHOD

    Directory of Open Access Journals (Sweden)

    H. А. Vershina

    2012-01-01

    Full Text Available The paper presents investigations of processes pertaining to surface charge accumulation and running of fluoropolymer-4 products using vibrating capacitor method. Modification of a measurement technique allowing to register distribution of dielectric surface potential without disturbance of the surface charged state has been described in the paper. The paper contains graphics of spatial distribution of surface potential of fluoropolymer-4 products after various treatments. The paper reveals that thermal treatment (tempering reduces static characteristics of fluoropolymer-4.

  15. Recovering metallic fractions from waste electrical and electronic equipment by a novel vibration system

    International Nuclear Information System (INIS)

    Habib, Muddasar; Miles, Nicholas J.; Hall, Philip

    2013-01-01

    Highlights: ► This work focuses on demonstrating a new scaled up technology to separate the metallic and non-metallic fractions of PCBs. ► PCBs comminuted to <1 mm in size resulted in metallic grade concentration of 95% in some of the recovered products. ► Good separation was observed at 40 mm particle bed height due to the formation of well-structured global convection currents. ► The work reported here contributes to the development of a new approach to dry, fine particle separation. - Abstract: The need to recover and recycle valuable resources from Waste Electrical and Electronic Equipment (WEEE) is of growing importance as increasing amounts are generated due to shorter product life cycles, market expansions, new product developments and, higher consumption and production rates. The European Commission (EC) directive, 2002/96/EC, on WEEE became law in UK in January 2007 setting targets to recover up to 80% of all WEEE generated. Printed Wire Board (PWB) and/or Printed Circuit Board (PCB) is an important component of WEEE with an ever increasing tonnage being generated. However, the lack of an accurate estimate for PCB production, future supply and uncertain demands of its recycled materials in international markets has provided the motivation to explore different approaches to recycle PCBs. The work contained in this paper focuses on a novel, dry separation methodology in which vertical vibration is used to separate the metallic and non-metallic fractions of PCBs. When PCBs were comminuted to less than 1 mm in size, metallic grades as high as 95% (measured by heavy liquid analysis) could be achieved in the recovered products

  16. Improved Riccati Transfer Matrix Method for Free Vibration of Non-Cylindrical Helical Springs Including Warping

    Directory of Open Access Journals (Sweden)

    A.M. Yu

    2012-01-01

    Full Text Available Free vibration equations for non-cylindrical (conical, barrel, and hyperboloidal types helical springs with noncircular cross-sections, which consist of 14 first-order ordinary differential equations with variable coefficients, are theoretically derived using spatially curved beam theory. In the formulation, the warping effect upon natural frequencies and vibrating mode shapes is first studied in addition to including the rotary inertia, the shear and axial deformation influences. The natural frequencies of the springs are determined by the use of improved Riccati transfer matrix method. The element transfer matrix used in the solution is calculated using the Scaling and Squaring method and Pad'e approximations. Three examples are presented for three types of springs with different cross-sectional shapes under clamped-clamped boundary condition. The accuracy of the proposed method has been compared with the FEM results using three-dimensional solid elements (Solid 45 in ANSYS code. Numerical results reveal that the warping effect is more pronounced in the case of non-cylindrical helical springs than that of cylindrical helical springs, which should be taken into consideration in the free vibration analysis of such springs.

  17. A-VCI: A flexible method to efficiently compute vibrational spectra

    Science.gov (United States)

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

    2017-06-01

    The adaptive vibrational configuration interaction algorithm has been introduced as a new method to efficiently reduce the dimension of the set of basis functions used in a vibrational configuration interaction process. It is based on the construction of nested bases for the discretization of the Hamiltonian operator according to a theoretical criterion that ensures the convergence of the method. In the present work, the Hamiltonian is written as a sum of products of operators. The purpose of this paper is to study the properties and outline the performance details of the main steps of the algorithm. New parameters have been incorporated to increase flexibility, and their influence has been thoroughly investigated. The robustness and reliability of the method are demonstrated for the computation of the vibrational spectrum up to 3000 cm-1 of a widely studied 6-atom molecule (acetonitrile). Our results are compared to the most accurate up to date computation; we also give a new reference calculation for future work on this system. The algorithm has also been applied to a more challenging 7-atom molecule (ethylene oxide). The computed spectrum up to 3200 cm-1 is the most accurate computation that exists today on such systems.

  18. Vibration-based Energy Harvesting Systems Characterization Using Automated Electronic Equipment

    Directory of Open Access Journals (Sweden)

    Ioannis KOSMADAKIS

    2015-04-01

    Full Text Available A measurement bench has been developed to fully automate the procedure for the characterization of a vibration-based energy scavenging system. The measurement system is capable of monitoring all important characteristics of a vibration harvesting system (input and output voltage, current, and other parameters, frequency and acceleration values, etc.. It is composed of a PC, typical digital measuring instruments (oscilloscope, waveform generator, etc., certain sensors and actuators, along with a microcontroller based automation module. The automation of the procedure and the manipulation of the acquired data are performed by LabVIEW software. Typical measurements of a system consisting of a vibrating source, a vibration transducer and an active rectifier are presented.

  19. Mechanical vibration compensation method for 3D+t multi-particle tracking in microscopic volumes.

    Science.gov (United States)

    Pimentel, A; Corkidi, G

    2009-01-01

    The acquisition and analysis of data in microscopic systems with spatiotemporal evolution is a very relevant topic. In this work, we describe a method to optimize an experimental setup for acquiring and processing spatiotemporal (3D+t) data in microscopic systems. The method is applied to a three-dimensional multi-tracking and analysis system of free-swimming sperm trajectories previously developed. The experimental set uses a piezoelectric device making oscillate a large focal-distance objective mounted on an inverted microscope (over its optical axis) to acquire stacks of images at a high frame rate over a depth on the order of 250 microns. A problem arise when the piezoelectric device oscillates, in such a way that a vibration is transmitted to the whole microscope, inducing undesirable 3D vibrations to the whole set. For this reason, as a first step, the biological preparation was isolated from the body of the microscope to avoid modifying the free swimming pattern of the microorganism due to the transmission of these vibrations. Nevertheless, as the image capturing device is mechanically attached to the "vibrating" microscope, the resulting acquired data are contaminated with an undesirable 3D movement that biases the original trajectory of these high speed moving cells. The proposed optimization method determines the functional form of these 3D oscillations to neutralize them from the original acquired data set. Given the spatial scale of the system, the added correction increases significantly the data accuracy. The optimized system may be very useful in a wide variety of 3D+t applications using moving optical devices.

  20. Methods for fabrication of flexible hybrid electronics

    Science.gov (United States)

    Street, Robert A.; Mei, Ping; Krusor, Brent; Ready, Steve E.; Zhang, Yong; Schwartz, David E.; Pierre, Adrien; Doris, Sean E.; Russo, Beverly; Kor, Siv; Veres, Janos

    2017-08-01

    Printed and flexible hybrid electronics is an emerging technology with potential applications in smart labels, wearable electronics, soft robotics, and prosthetics. Printed solution-based materials are compatible with plastic film substrates that are flexible, soft, and stretchable, thus enabling conformal integration with non-planar objects. In addition, manufacturing by printing is scalable to large areas and is amenable to low-cost sheet-fed and roll-to-roll processes. FHE includes display and sensory components to interface with users and environments. On the system level, devices also require electronic circuits for power, memory, signal conditioning, and communications. Those electronic components can be integrated onto a flexible substrate by either assembly or printing. PARC has developed systems and processes for realizing both approaches. This talk presents fabrication methods with an emphasis on techniques recently developed for the assembly of off-the-shelf chips. A few examples of systems fabricated with this approach are also described.

  1. Fiducialization of the small-aperture quadrupoles based on the vibrating wire method

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Baichuan, E-mail: wangbaichuan@nint.ac.cn [State Key Laboratory of Intense Pulsed Radiation Simulation and Effect (Northwest Institute of Nuclear Technology), Xi' an 710024 (China); Tsinghua University, Beijing 100084 (China); Zheng, Shuxin, E-mail: zhengsx@tsinghua.edu.cn [Tsinghua University, Beijing 100084 (China); Wu, Lin; Du, Changtong; Xing, Qingzi [Tsinghua University, Beijing 100084 (China); Wang, Zhongming; Qiu, Mengtong [State Key Laboratory of Intense Pulsed Radiation Simulation and Effect (Northwest Institute of Nuclear Technology), Xi' an 710024 (China); Wang, Xuewu [Tsinghua University, Beijing 100084 (China)

    2016-03-11

    A fiducialization method based on vibrating wire is described dedicated to the problem of locating the magnetic center relative to external fiducials for the small-aperture quadrupoles. The advantage of this method is that the measurement of the wire position, which may be the main error source, is no longer needed. The position of the magnetic center can be directly obtained by measuring the position shift of the magnet fiducials. This method has been validated on small Permanent Magnet Quadrupoles (PMQs). Experiments have confirmed its feasibility of measuring PMQs with good repeatability of about 10 μm, and shown its high sensitivity as well as convenience.

  2. A new efficient analytical method for a system of vibration. Structural analysis using a new technique of partially solving method

    International Nuclear Information System (INIS)

    Gunyasu, Kenzo; Hiramoto, Tsuneyuki; Tanimoto, Mitsumori; Osano, Minetada

    2002-01-01

    We describe a new method for solving large-scale system of linear equations resulting from discretization of ordinary differential equation and partial differential equation directly. This new method effectively reduces the memory capacity requirements and computing time problems for analyses using finite difference method and finite element method. In this paper we have tried to solve one-million linear equations directly for the case that initial displacement and boundary displacement are known about the finite difference scheme of second order inhomogeneous differential equation for vibration of a 10 story structure. Excellent results were got. (author)

  3. Smooth polishing of femtosecond laser induced craters on cemented carbide by ultrasonic vibration method

    Science.gov (United States)

    Wang, H. P.; Guan, Y. C.; Zheng, H. Y.

    2017-12-01

    Rough surface features induced by laser irradiation have been a challenging for the fabrication of micro/nano scale features. In this work, we propose hybrid ultrasonic vibration polishing method to improve surface quality of microcraters produced by femtosecond laser irradiation on cemented carbide. The laser caused rough surfaces are significantly smoothened after ultrasonic vibration polishing due to the strong collision effect of diamond particles on the surfaces. 3D morphology, SEM and AFM analysis has been conducted to characterize surface morphology and topography. Results indicate that the minimal surface roughness of Ra 7.60 nm has been achieved on the polished surfaces. The fabrication of microcraters with smooth surfaces is applicable to molding process for mass production of micro-optical components.

  4. The GDQ Method of Thermal Vibration Laminated Shell with Actuating Magnetostrictive Layers

    Directory of Open Access Journals (Sweden)

    C.C. Hong

    2017-06-01

    Full Text Available The research of laminated magnetostrictive shell under thermal vibration was computed by using the generalized differential quadrature (GDQ method. In the thermoelastic stress-strain equations that contain the terms linear temperature rise and the magnetostrictive material with velocity feedback control. The dynamic equilibrium differential equations with displacements were normalized and discretized into the dynamic discretized equations by the GDQ method. Two edges of laminated shell with clamped boundary conditions were considered. The values of interlaminar thermal stresses and center displacement of shell with and without velocity feedback control were calculated, respectively. The purpose of this research is to compute the time responses of displacement and stresses in the laminated magnetostrictive shell subjected to thermal vibration with suitable controlled gain values. The numerical GDQ results of displacement and stresses are also obtained and investigated. With velocity feedback and suitable control gain values are found to reduce the amplitude of displacement and stresses into a smaller value. The higher values of temperature get the higher amplitude of displacement and stresses. The GDQ results of actuating magnetostrictive shells can be applied in the field of morphing aircraft (adaptive structures and smart materials to reduce and suppress the vibration when under aero-thermal flutter.

  5. Proposals of electronic-vibrational energy relaxation studies by using laser pulses synchronized with IR-SR pulses

    International Nuclear Information System (INIS)

    Nakagawa, Hideyuki

    2000-01-01

    Synchrotron radiation is expected to be the sharp infrared light source for the advanced experiments on IR and FIR spectroscopy in wide research fields. Especially, synchronized use of SR with VIS and/or UV laser light is to be a promising technique for the research on the dynamical properties of the photo-excited states in condensed materials. Some proposals are attempted for high resolution IR spectroscopy to elucidate fine interaction of molecular ions in crystalline solids with their environmental field and for time-resolved IR spectroscopic studies on the electronic and vibrational energy relaxation by using laser pulses synchronized with IR-SR pulses. Several experimental results are presented in relevance to the subjects; on high-resolution FTIR spectra of cyanide ions and metal cyanide complexes in cadmium halide crystals, on the energy up-conversion process among the vibrational levels of cyanide ions in alkali halide crystals, and on the electronic-to-vibrational energy conversion process in metal cyanide complexes. (author)

  6. Free vibration analysis of multi-span pipe conveying fluid with dynamic stiffness method

    International Nuclear Information System (INIS)

    Li Baohui; Gao Hangshan; Zhai Hongbo; Liu Yongshou; Yue Zhufeng

    2011-01-01

    Research highlights: → The dynamic stiffness method was proposed to analysis the free vibration of multi-span pipe conveying fluid. → The main advantage of the proposed method is that it can hold a high precision even though the element size is large. → The flowing fluid can weaken the pipe stiffness, when the fluid velocity increases, the natural frequencies of pipe are decreasing. - Abstract: By taking a pipe as Timoshenko beam, in this paper the original 4-equation model of pipe conveying fluid was modified by taking the dynamic effects of fluid into account. The shape function that always used in the finite element method was replaced by the exact wave solution of the modified four equations. And then the dynamic stiffness was deduced for the free vibration of pipe conveying fluid. The proposed method was validated by comparing the results of critical velocity with analytical solution for a simply supported pipe at both ends. In the example, the proposed method was applied to calculate the first three natural frequencies of a three span pipe with twelve meters long in three different cases. The results of natural frequency for the pipe conveying stationary fluid fitted well with that calculated by finite element software Abaqus. It was shown that the dynamic stiffness method can still hold high precision even though the element's size was quite large. And this is the predominant advantage of the proposed method comparing with conventional finite element method.

  7. Computational molecular spectroscopy of X ˜ 2 Π NCS: Electronic properties and ro-vibrationally averaged structure

    Science.gov (United States)

    Hirano, Tsuneo; Nagashima, Umpei; Jensen, Per

    2018-04-01

    For NCS in the X ˜ 2 Π electronic ground state, three-dimensional potential energy surfaces (3D PESs) have been calculated ab initio at the core-valence, full-valence MR-SDCI+Q/[aug-cc-pCVQZ (N, C, S)] level of theory. The ab initio 3D PESs are employed in second-order-perturbation-theory and DVR3D calculations to obtain various molecular constants and ro-vibrationally averaged structures. The 3D PESs show that the X ˜ 2 Π NCS has its potential minimum at a linear configuration, and hence it is a "linear molecule." The equilibrium structure has re (N-C) = 1.1778 Å, re (C-S) = 1.6335 Å, and ∠e (N-C-S) = 180°. The ro-vibrationally averaged structure, determined as expectation values over DVR3D wavefunctions, has 〈 r (N-C)〉0 = 1.1836 Å, 〈 r (C-S)〉0 = 1.6356 Å, and 〈 ∠ (N-C-S)〉0 = 172.5°. Using these expectation values as the initial guess, a bent r0 structure having an 〈 ∠ (N-C-S)〉0 of 172.2° is deduced from the experimentally reported B0 values for NC32S and NC34S. Our previous prediction that a linear molecule, in any ro-vibrational state including the ro-vibrational ground state, is to be "observed" as being bent on ro-vibrational average, has been confirmed here theoretically through the expectation value for the bond-angle deviation from linearity, 〈 ρ bar 〉 , and experimentally through the interpretation of the experimentally derived rotational-constant values.

  8. Investigation of thermoluminescence and electron-vibrational interaction parameters in SrAl2O4:Eu2+, Dy3+ phosphors

    International Nuclear Information System (INIS)

    Pardhi, Shilpa A.; Nair, Govind B.; Sharma, Ravi; Dhoble, S.J.

    2017-01-01

    Combustion synthesis method was employed for the synthesis of green-emitting monoclinic SrAl 2 O 4 :Eu 2+ , Dy 3+ phosphors. The phase-purity of the prepared phosphors were examined using X-ray diffraction (XRD). The prepared phosphors exhibited green light emission with the peak centred at 510 nm, under 350 nm UV excitation. The excitation and emission spectra were analysed and the parameters of electron-vibrational interaction (EVI), such as the Huang–Rhys factor, effective phonon energy and zero-phonon line position were estimated using the spectrum fitting method. Thermoluminescence (TL) behaviour of the as-prepared phosphors were analysed for UV and 137 Cs γ-ray source irradiation. TL glow curves for UV-irradiated SrAl 2 O 4 :Eu 2+ , Dy 3+ phosphors were analysed. - Highlights: • Photoluminescence and thermoluminescence properties of SrAl 2 O 4 :Eu 2+ ,Dy 3+ phosphors were analysed. • Electron-vibrational interaction (EVI) parameters of SrAl 2 O 4 :Eu 2+ ,Dy 3+ phosphors were determined. • The phosphors are found to exhibit green light emission.

  9. Numerical methods in electron magnetic resonance

    International Nuclear Information System (INIS)

    Soernes, A.R.

    1998-01-01

    The focal point of the thesis is the development and use of numerical methods in the analysis, simulation and interpretation of Electron Magnetic Resonance experiments on free radicals in solids to uncover the structure, the dynamics and the environment of the system

  10. Numerical methods in electron magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Soernes, A.R

    1998-07-01

    The focal point of the thesis is the development and use of numerical methods in the analysis, simulation and interpretation of Electron Magnetic Resonance experiments on free radicals in solids to uncover the structure, the dynamics and the environment of the system.

  11. An Accurate Integral Method for Vibration Signal Based on Feature Information Extraction

    Directory of Open Access Journals (Sweden)

    Yong Zhu

    2015-01-01

    Full Text Available After summarizing the advantages and disadvantages of current integral methods, a novel vibration signal integral method based on feature information extraction was proposed. This method took full advantage of the self-adaptive filter characteristic and waveform correction feature of ensemble empirical mode decomposition in dealing with nonlinear and nonstationary signals. This research merged the superiorities of kurtosis, mean square error, energy, and singular value decomposition on signal feature extraction. The values of the four indexes aforementioned were combined into a feature vector. Then, the connotative characteristic components in vibration signal were accurately extracted by Euclidean distance search, and the desired integral signals were precisely reconstructed. With this method, the interference problem of invalid signal such as trend item and noise which plague traditional methods is commendably solved. The great cumulative error from the traditional time-domain integral is effectively overcome. Moreover, the large low-frequency error from the traditional frequency-domain integral is successfully avoided. Comparing with the traditional integral methods, this method is outstanding at removing noise and retaining useful feature information and shows higher accuracy and superiority.

  12. Methods for measurement of electron emission yield under low energy electron-irradiation by collector method and Kelvin probe method

    Energy Technology Data Exchange (ETDEWEB)

    Tondu, Thomas; Belhaj, Mohamed; Inguimbert, Virginie [Onera, DESP, 2 Avenue Edouard Belin, 31400 Toulouse (France); Onera, DESP, 2 Avenue Edouard Belin, 31400 Toulouse, France and Fondation STAE, 4 allee Emile Monso, BP 84234-31432, Toulouse Cedex 4 (France); Onera, DESP, 2 Avenue Edouard Belin, 31400 Toulouse (France)

    2010-09-15

    Secondary electron emission yield of gold under electron impact at normal incidence below 50 eV was investigated by the classical collector method and by the Kelvin probe method. The authors show that biasing a collector to ensure secondary electron collection while keeping the target grounded can lead to primary electron beam perturbations. Thus reliable secondary electron emission yield at low primary electron energy cannot be obtained with a biased collector. The authors present two collector-free methods based on current measurement and on electron pulse surface potential buildup (Kelvin probe method). These methods are consistent, but at very low energy, measurements become sensitive to the earth magnetic field (below 10 eV). For gold, the authors can extrapolate total emission yield at 0 eV to 0.5, while a total electron emission yield of 1 is obtained at 40{+-}1 eV.

  13. Methods for measurement of electron emission yield under low energy electron-irradiation by collector method and Kelvin probe method

    International Nuclear Information System (INIS)

    Tondu, Thomas; Belhaj, Mohamed; Inguimbert, Virginie

    2010-01-01

    Secondary electron emission yield of gold under electron impact at normal incidence below 50 eV was investigated by the classical collector method and by the Kelvin probe method. The authors show that biasing a collector to ensure secondary electron collection while keeping the target grounded can lead to primary electron beam perturbations. Thus reliable secondary electron emission yield at low primary electron energy cannot be obtained with a biased collector. The authors present two collector-free methods based on current measurement and on electron pulse surface potential buildup (Kelvin probe method). These methods are consistent, but at very low energy, measurements become sensitive to the earth magnetic field (below 10 eV). For gold, the authors can extrapolate total emission yield at 0 eV to 0.5, while a total electron emission yield of 1 is obtained at 40±1 eV.

  14. Theory of vibration protection

    CERN Document Server

    Karnovsky, Igor A

    2016-01-01

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

  15. Free vibration of functionally graded beams and frameworks using the dynamic stiffness method

    Science.gov (United States)

    Banerjee, J. R.; Ananthapuvirajah, A.

    2018-05-01

    The free vibration analysis of functionally graded beams (FGBs) and frameworks containing FGBs is carried out by applying the dynamic stiffness method and deriving the elements of the dynamic stiffness matrix in explicit algebraic form. The usually adopted rule that the material properties of the FGB vary continuously through the thickness according to a power law forms the fundamental basis of the governing differential equations of motion in free vibration. The differential equations are solved in closed analytical form when the free vibratory motion is harmonic. The dynamic stiffness matrix is then formulated by relating the amplitudes of forces to those of the displacements at the two ends of the beam. Next, the explicit algebraic expressions for the dynamic stiffness elements are derived with the help of symbolic computation. Finally the Wittrick-Williams algorithm is applied as solution technique to solve the free vibration problems of FGBs with uniform cross-section, stepped FGBs and frameworks consisting of FGBs. Some numerical results are validated against published results, but in the absence of published results for frameworks containing FGBs, consistency checks on the reliability of results are performed. The paper closes with discussion of results and conclusions.

  16. Comparison of force fields and calculation methods for vibration intervals of isotopic H+3 molecules

    International Nuclear Information System (INIS)

    Carney, G.D.; Adler-Golden, S.M.; Lesseski, D.C.

    1986-01-01

    This paper reports (a) improved values for low-lying vibration intervals of H + 3 , H 2 D + , D 2 H + , and D + 3 calculated using the variational method and Simons--Parr--Finlan representations of the Carney--Porter and Dykstra--Swope ab initio H + 3 potential energy surfaces, (b) quartic normal coordinate force fields for isotopic H + 3 molecules, (c) comparisons of variational and second-order perturbation theory, and (d) convergence properties of the Lai--Hagstrom internal coordinate vibrational Hamiltonian. Standard deviations between experimental and ab initio fundamental vibration intervals of H + 3 , H 2 D + , D 2 H + , and D + 3 for these potential surfaces are 6.9 (Carney--Porter) and 1.2 cm -1 (Dykstra--Swope). The standard deviations between perturbation theory and exact variational fundamentals are 5 and 10 cm -1 for the respective surfaces. The internal coordinate Hamiltonian is found to be less efficient than the previously employed ''t'' coordinate Hamiltonian for these molecules, except in the case of H 2 D +

  17. A synergistic method for vibration suppression of an elevator mechatronic system

    Science.gov (United States)

    Knezevic, Bojan Z.; Blanusa, Branko; Marcetic, Darko P.

    2017-10-01

    Modern elevators are complex mechatronic systems which have to satisfy high performance in precision, safety and ride comfort. Each elevator mechatronic system (EMS) contains a mechanical subsystem which is characterized by its resonant frequency. In order to achieve high performance of the whole system, the control part of the EMS inevitably excites resonant circuits causing the occurrence of vibration. This paper proposes a synergistic solution based on the jerk control and the upgrade of the speed controller with a band-stop filter to restore lost ride comfort and speed control caused by vibration. The band-stop filter eliminates the resonant component from the speed controller spectra and jerk control provides operating of the speed controller in a linear mode as well as increased ride comfort. The original method for band-stop filter tuning based on Goertzel algorithm and Kiefer search algorithm is proposed in this paper. In order to generate the speed reference trajectory which can be defined by different shapes and amplitudes of jerk, a unique generalized model is proposed. The proposed algorithm is integrated in the power drive control algorithm and implemented on the digital signal processor. Through experimental verifications on a scale down prototype of the EMS it has been verified that only synergistic effect of controlling jerk and filtrating the reference torque can completely eliminate vibrations.

  18. Static and free vibration analysis of carbon nano wires based on Timoshenko beam theory using differential quadrature method

    Directory of Open Access Journals (Sweden)

    Maziar Janghorban

    Full Text Available Static and free vibration analysis of carbon nano wires with rectangular cross section based on Timoshenko beam theory is studied in this research. Differential quadrature method (DQM is employed to solve the governing equations. From the knowledge of author, it is the first time that free vibration of nano wires is investigated. It is also the first time that differential quadrature method is used for bending analysis of nano wires.

  19. Investigation on method of estimating the excitation spectrum of vibration source

    International Nuclear Information System (INIS)

    Zhang Kun; Sun Lei; Lin Song

    2010-01-01

    In practical engineer area, it is hard to obtain the excitation spectrum of the auxiliary machines of nuclear reactor through direct measurement. To solve this problem, the general method of estimating the excitation spectrum of vibration source through indirect measurement is proposed. First, the dynamic transfer matrix between the virtual excitation points and the measure points is obtained through experiment. The matrix combined with the response spectrum at the measure points under practical work condition can be used to calculate the excitation spectrum acts on the virtual excitation points. Then a simplified method is proposed which is based on the assumption that the vibration machine can be regarded as rigid body. The method treats the centroid as the excitation point and the dynamic transfer matrix is derived by using the sub structure mobility synthesis method. Thus, the excitation spectrum can be obtained by the inverse of the transfer matrix combined with the response spectrum at the measure points. Based on the above method, a computing example is carried out to estimate the excitation spectrum acts on the centroid of a electrical pump. By comparing the input excitation and the estimated excitation, the reliability of this method is verified. (authors)

  20. Modified multiple time scale method for solving strongly nonlinear damped forced vibration systems

    Science.gov (United States)

    Razzak, M. A.; Alam, M. Z.; Sharif, M. N.

    2018-03-01

    In this paper, modified multiple time scale (MTS) method is employed to solve strongly nonlinear forced vibration systems. The first-order approximation is only considered in order to avoid complexicity. The formulations and the determination of the solution procedure are very easy and straightforward. The classical multiple time scale (MS) and multiple scales Lindstedt-Poincare method (MSLP) do not give desire result for the strongly damped forced vibration systems with strong damping effects. The main aim of this paper is to remove these limitations. Two examples are considered to illustrate the effectiveness and convenience of the present procedure. The approximate external frequencies and the corresponding approximate solutions are determined by the present method. The results give good coincidence with corresponding numerical solution (considered to be exact) and also provide better result than other existing results. For weak nonlinearities with weak damping effect, the absolute relative error measures (first-order approximate external frequency) in this paper is only 0.07% when amplitude A = 1.5 , while the relative error gives MSLP method is surprisingly 28.81%. Furthermore, for strong nonlinearities with strong damping effect, the absolute relative error found in this article is only 0.02%, whereas the relative error obtained by MSLP method is 24.18%. Therefore, the present method is not only valid for weakly nonlinear damped forced systems, but also gives better result for strongly nonlinear systems with both small and strong damping effect.

  1. Life Cycle Cost Evaluation of Noise and Vibration Control Methods at Urban Railway Turnouts

    Directory of Open Access Journals (Sweden)

    Rodrigo Tavares de Freitas

    2016-12-01

    Full Text Available A focus of the railway industry over the past decades has been to research, find and develop methods to mitigate noise and vibration resulting from wheel/rail contact along track infrastructure. This resulted in a wide range of abatement measures that are available for today’s engineers. The suitability of each method must be analysed through budget and timeframe limitations, which includes building, maintenance and inspection costs and time allocation, while also aiming at delivering other benefits, such as environmental impact and durability of infrastructure. There are several situations that need noise and vibration mitigation methods, but each design allocates different priorities on a case-by-case basis. Traditionally, the disturbance caused by railways to the community are generated by wheel/rail contact sound radiation that is expressed in different ways, depending on the movement of the rolling stock and track alignment, such as rolling noise, impact noise and curve noise. More specifically, in special trackworks such as turnouts (or called “switches and crossings”, there are two types of noise that can often be observed: impact noise and screeching noise. With respect to the screeching (or flanging, its mitigation methods are usually associated with curve lubrications. In contrast, the impact noise emerges from the sound made by the rolling stock moving through joints and discontinuities (i.e., gaps, resulting in various noise abatement features to minimise such noise impact. Life cycle analysis is therefore vital for cost efficiency benchmarking of the mitigation methods. The evaluation is based on available data from open literature and the total costs were estimated from valid industry reports to maintain coherency. A 50-year period for a life cycle analysis is chosen for this study. As for the general parameters, an area with a high density of people is considered to estimate the values for a community with very strict limits

  2. The development of two Broadband Vibration Energy Harvesters (BVEH) with adaptive conversion electronics

    Science.gov (United States)

    Clingman, Dan J.; Thiesen, Jack

    2017-04-01

    Historically, piezoelectric vibration energy harvesters have been limited to operation at a single, structurally resonant frequency. A piezoceramic energy harvester, such as a bimorph beam, operating at structural resonance exchanges energy between dynamic and strain regimes. This energy exchange increases the coupling between piezoceramic deformation and electrical charge generation. Two BVEH mechanisms are presented that exploit strain energy management to reduce inertial forces needed to deform the piezoceramic, thus increasing the coupling between structural and electrical energy conversion over a broadband vibration spectrum. Broadband vibration excitation produces a non-sinusoidal electrical wave form from the BVEH device. An adaptive energy conversion circuit was developed that exploits a buck converter to capture the complex waveform energy in a form easily used by standard electrical components.

  3. Improved methods for high resolution electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, J.R.

    1987-04-01

    Existing methods of making support films for high resolution transmission electron microscopy are investigated and novel methods are developed. Existing methods of fabricating fenestrated, metal reinforced specimen supports (microgrids) are evaluated for their potential to reduce beam induced movement of monolamellar crystals of C/sub 44/H/sub 90/ paraffin supported on thin carbon films. Improved methods of producing hydrophobic carbon films by vacuum evaporation, and improved methods of depositing well ordered monolamellar paraffin crystals on carbon films are developed. A novel technique for vacuum evaporation of metals is described which is used to reinforce microgrids. A technique is also developed to bond thin carbon films to microgrids with a polymer bonding agent. Unique biochemical methods are described to accomplish site specific covalent modification of membrane proteins. Protocols are given which covalently convert the carboxy terminus of papain cleaved bacteriorhodopsin to a free thiol. 53 refs., 19 figs., 1 tab.

  4. Method for qualification of cementation processes and its application to a vibration mixer

    International Nuclear Information System (INIS)

    Vicente, R.; Rzyski, B.M.; Suarez, A.A.

    1987-01-01

    In this paper the definition of homogeneneity is discussed and methods to measure the 'degree of heterogeneity' of waste forms are proposed. These measurements are important as aids for mixing process qualification, and as tools in quality assurance procedures and in the development of waste management standards. Homogeneity is a basic quality requirement for waste forms to be accepted in final sites. It do not depend on the matrix immmobilization, rather it is one mean for qualification of the immobilization process. The proposed methods were applied to a vibration assisted mixing process and has proved to an useful mean to judge process improvements. There are many conceivable methods to evaluate homogeneity of waste forms. Some were selected as screening tests aiming at quickly reaching a promising set of process variables. Others were selected to evaluate the degree of excellence of the process in respect to product quality. These envisaged methods were: visual inspection, the use of cement dye as tracer, scanning of radioactive tracers, and measurements of variations of density, water absorption, porosity and mechanical strength across the waste form sample. The process variables were: waste-cement and water-cement ratios, mixer geometry, mixing time and vibration intensity. Some of the apparatus details were change during the experimental work in order to improve product quality. Experimental methods and results statistically analysed and compared with data obtained from samples prepared with a planetary paddle mixer, which were adopted as the homogeneity standard. (Author) [pt

  5. Numerical calculation of acoustic radiation from band-vibrating structures via FEM/FAQP method

    Directory of Open Access Journals (Sweden)

    GAO Honglin

    2017-08-01

    Full Text Available The Finite Element Method (FEM combined with the Frequency Averaged Quadratic Pressure method (FAQP are used to calculate the acoustic radiation of structures excited in the frequency band. The surface particle velocity of stiffened cylindrical shells under frequency band excitation is calculated using finite element software, the normal vibration velocity is converted from the surface particle velocity to calculate the average energy source (frequency averaged across intensity, frequency averaged across pressure and frequency averaged across velocity, and the FAQP method is used to calculate the average sound pressure level within the bandwidth. The average sound pressure levels are then compared with the bandwidth using finite element and boundary element software, and the results show that FEM combined with FAQP is more suitable for high frequencies and can be used to calculate the average sound pressure level in the 1/3 octave band with good stability, presenting an alternative to applying frequency-by-frequency calculation and the average frequency process. The FEM/FAQP method can be used as a prediction method for calculating acoustic radiation while taking the randomness of vibration at medium and high frequencies into consideration.

  6. Parameter optimization method for longitudinal vibration absorber of ship shaft system

    Directory of Open Access Journals (Sweden)

    LIU Jinlin

    2017-05-01

    Full Text Available The longitudinal vibration of the ship shaft system is the one of the most important factors of hull stern vibration, and it can be effectively minimized by installing a longitudinal vibration absorber. In this way, the vibration and noise of ships can be brought under control. However, the parameters of longitudinal vibration absorbers have a great influence on the vibration characteristics of the shaft system. As such, a certain shafting testing platform was studied as the object on which a finite model was built, and the relationship between longitudinal stiffness and longitudinal vibration in the shaft system was analyzed in a straight alignment state. Furthermore, a longitudinal damping model of the shaft system was built in which the parameters of the vibration absorber were non-dimensionalized, the weight of the vibration absorber was set as a constant, and an optimizing algorithm was used to calculate the optimized stiffness and damping coefficient of the vibration absorber. Finally, the longitudinal vibration frequency response of the shafting testing platform before and after optimizing the parameters of the longitudinal vibration absorber were compared, and the results indicated that the longitudinal vibration of the shafting testing platform was decreased effectively, which suggests that it could provide a theoretical foundation for the parameter optimization of longitudinal vibration absorbers.

  7. Vibrational spectroscopic studies, normal co-ordinate analysis, first order hyperpolarizability, HOMO-LUMO of midodrine by using density functional methods.

    Science.gov (United States)

    Shahidha, R; Al-Saadi, Abdulaziz A; Muthu, S

    2015-01-05

    The FTIR (4000-400 cm(-1)), FT-Raman (4000-100 cm(-1)) and UV-Visible (400-200 nm) spectra of midodrine were recorded in the condensed state. The complete vibrational frequencies, optimized geometry, intensity of vibrational bands and atomic charges were obtained by using Density Functional Theory (DFT) with the help of 6-311++G(d,p) basis set. The first order hyperpolarizability (β) and related properties (μ, α and Δα) of this molecular system were calculated by using DFT/6-311++G(d,p) method based on the finite-field approach. The assignments of the vibrational spectra have been carried out with the help of Normal Co-ordinate Analysis (NCA) following the scaled quantum mechanical force methodology. Stability of the molecule arising from hyper conjugative interactions, charge delocalization has been analyzed using NBO analysis. From the recorded UV-Visible spectrum, the electronic properties such as excitation energies, oscillator strength and wavelength are calculated by DFT in water and gas methods using 6-311++G(d,p) basis set. The calculated HOMO and LUMO energies confirm that charge transfer occurs within the molecule. Besides MEP, NLO and thermodynamic properties were also calculated and interpreted. The electron density-based local reactivity descriptor such as Fukui functions was calculated to explain the chemical selectivity or reactivity site in midodrine. Copyright © 2014 Elsevier B.V. All rights reserved.

  8. EDM 1.0: electron direct methods.

    Science.gov (United States)

    Kilaas, R; Marks, L D; Own, C S

    2005-02-01

    A computer program designed to provide a number of quantitative analysis tools for high-resolution imaging and electron diffraction data is described. The program includes basic image manipulation, both real space and reciprocal space image processing, Wiener-filtering, symmetry averaging, methods for quantification of electron diffraction patterns and two-dimensional direct methods. The program consists of a number of sub-programs written in a combination of C++, C and Fortran. It can be downloaded either as GNU source code or as binaries and has been compiled and verified on a wide range of platforms, both Unix based and PC's. Elements of the design philosophy as well as future possible extensions are described.

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

    Science.gov (United States)

    Morishita, Tetsuya

    2009-05-21

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

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

    DEFF Research Database (Denmark)

    Ulstrup, Søren; Frederiksen, Thomas; Brandbyge, Mads

    2012-01-01

    displacement. Combined with a vibrational heating mechanism we construct a model from our results that explain the polarity-dependent two-level conductance fluctuations observed in recent scanning tunneling microscopy (STM) experiments [N. Ne´el et al., Nano Lett. 11, 3593 (2011)]. These findings highlight...

  11. A simplified method for random vibration analysis of structures with random parameters

    International Nuclear Information System (INIS)

    Ghienne, Martin; Blanzé, Claude

    2016-01-01

    Piezoelectric patches with adapted electrical circuits or viscoelastic dissipative materials are two solutions particularly adapted to reduce vibration of light structures. To accurately design these solutions, it is necessary to describe precisely the dynamical behaviour of the structure. It may quickly become computationally intensive to describe robustly this behaviour for a structure with nonlinear phenomena, such as contact or friction for bolted structures, and uncertain variations of its parameters. The aim of this work is to propose a non-intrusive reduced stochastic method to characterize robustly the vibrational response of a structure with random parameters. Our goal is to characterize the eigenspace of linear systems with dynamic properties considered as random variables. This method is based on a separation of random aspects from deterministic aspects and allows us to estimate the first central moments of each random eigenfrequency with a single deterministic finite elements computation. The method is applied to a frame with several Young's moduli modeled as random variables. This example could be expanded to a bolted structure including piezoelectric devices. The method needs to be enhanced when random eigenvalues are closely spaced. An indicator with no additional computational cost is proposed to characterize the ’’proximity” of two random eigenvalues. (paper)

  12. Use of the finite element displacement method to solve solid-fluid interaction vibration problems

    International Nuclear Information System (INIS)

    Brown, S.J.; Hsu, K.H.

    1978-01-01

    It is shown through comparison to experimental, theoretical, and other finite element formulations that the finite element displacement method can solve accurately and economically a certain class of solid-fluid eigenvalue problems. The problems considered are small displacements in the absence of viscous damping and are 2-D and 3-D in nature. In this study the advantages of the finite element method (in particular the displacement formulation) is apparent in that a large structure consisting of the cylinders, support flanges, fluid, and other experimental boundaries could be modeled to yield good correlation to experimental data. The ability to handle large problems with standard structural programs is the key advantage of the displacement fluid method. The greatest obstacle is the inability of the analyst to inhibit those rotational degrees of freedom that are unnecessary to his fluid-structure vibration problem. With judicious use of element formulation, boundary conditions and modeling, the displacement finite element method can be successfully used to predict solid-fluid response to vibration and seismic loading

  13. VELOCITY FIELD COMPUTATION IN VIBRATED GRANULAR MEDIA USING AN OPTICAL FLOW BASED MULTISCALE IMAGE ANALYSIS METHOD

    Directory of Open Access Journals (Sweden)

    Johan Debayle

    2011-05-01

    Full Text Available An image analysis method has been developed in order to compute the velocity field of a granular medium (sand grains, mean diameter 600 μm submitted to different kinds of mechanical stresses. The differential method based on optical flow conservation consists in describing a dense motion field with vectors associated to each pixel. A multiscale, coarse-to-fine, analytical approach through tailor sized windows yields the best compromise between accuracy and robustness of the results, while enabling an acceptable computation time. The corresponding algorithmis presented and its validation discussed through different tests. The results of the validation tests of the proposed approach show that the method is satisfactory when attributing specific values to parameters in association with the size of the image analysis window. An application in the case of vibrated sand has been studied. An instrumented laboratory device provides sinusoidal vibrations and enables external optical observations of sand motion in 3D transparent boxes. At 50 Hz, by increasing the relative acceleration G, the onset and development of two convective rolls can be observed. An ultra fast camera records the grain avalanches, and several pairs of images are analysed by the proposed method. The vertical velocity profiles are deduced and allow to precisely quantify the dimensions of the fluidized region as a function of G.

  14. A method for handlebars ballast calculation in order to reduce vibrations transmissibility in walk behind tractors

    Directory of Open Access Journals (Sweden)

    Angelo Fabbri

    2017-06-01

    Full Text Available Walk behind tractors have some advantages over other agricultural machines, such as the cheapness and the easy to use, however the driver is exposed to high level of vibrations transmitted from handles to hand-arm system and to shoulders. The vibrations induce discomfort and early fatigue to the operator. In order to control the vibration transmissibility, a ballast mass may be added to the handles. Even if the determination of the appropriate ballast mass is a critical point in the handle design. The aim of this research was to study the influence of the handle mass modification, on the dynamic structure behaviour. Modal frequencies and subsequent transmissibility calculated by using an analytical approach and a finite elements model, were compared. A good agreement between the results obtained by the two methods was found (average percentage difference calculated on natural frequencies equal to 5.8±3.8%. Power tillers are made generally by small or medium-small size manufacturers that have difficulties in dealing with finite element codes or modal analysis techniques. As a consequence, the proposed analytical method could be used to find the optimal ballast mass in a simple and economic way, without experimental tests or complex finite element codes. A specific and very simple software or spreadsheet, developed on the base of the analytical method here discussed, could effectively to help the manufacturers in the handlebar design phase. The choice of the correct elastic mount, the dimensioning of the guide members and the ballast mass could be considerably simplified.

  15. Apparatus and method of inserting a microelectrode in body tissue or the like using vibration means

    Science.gov (United States)

    Feldstein, C.; Crawford, D. W.; Kanabus, E. W. (Inventor)

    1979-01-01

    An arrangement for and method of inserting a glass microelectrode having a tip in the micron range into body tissue is presented. The arrangement includes a microelectrode. The top of the microelectrode is attached to the diaphragm center of a first speaker. The microelectrode tip is brought into contact with the tissue by controlling a micromanipulator. Thereafter, an audio signal is applied to the speaker to cause the microelectrode to vibrate and thereby pierce the tissue surface without breaking the microelectrode tip. Thereafter, the tip is inserted into the tissue to the desired depth by operating the micromanipulator with the microelectrode in a vibratory or non-vibratory state.

  16. Conformational analysis and vibrational studies of ethylenediamine-d4, using DFT method

    International Nuclear Information System (INIS)

    Catikkas, B.

    2010-01-01

    In this work, conformational analysis and quantum chemical calculations of ethylenediamine-d4 were carried out. The geometry optimization and the geometric parameters (bond length, bond angle and tortion angle) were calculated. The Infrared and Raman frequencies of fundamental modes of the most stable conformer were determined. Calculations were carried out by using the MPW1PW91/6-311+G(d,p) method and Gaussian03 and GaussView3.0 programs. Populations of the conformers was calculated. Vibrational assignments of the title molecule were calculated by using Scaled Quantum Mechanical (SQM) analysis. Calculated values were compared with the experimental ones.

  17. Analysis of factors influencing fire damage to concrete using nonlinear resonance vibration method

    Energy Technology Data Exchange (ETDEWEB)

    Park, Gang Kyu; Park, Sun Jong; Kwak, Hyo Gyoung [Civil and Environmental Engineering, Korea Advanced Institute of Science and Technology, KAIST, Daejeon (Korea, Republic of); Yim, Hong Jae [Dept. of Construction and Disaster Prevention Engineering, Kyungpook National University, Sangju (Korea, Republic of)

    2015-04-15

    In this study, the effects of different mix proportions and fire scenarios (exposure temperatures and post-fire-curing periods) on fire-damaged concrete were analyzed using a nonlinear resonance vibration method based on nonlinear acoustics. The hysteretic nonlinearity parameter was obtained, which can sensitively reflect the damage level of fire-damaged concrete. In addition, a splitting tensile strength test was performed on each fire-damaged specimen to evaluate the residual property. Using the results, a prediction model for estimating the residual strength of fire-damaged concrete was proposed on the basis of the correlation between the hysteretic nonlinearity parameter and the ratio of splitting tensile strength.

  18. Innovative electron transport methods in EGS5

    International Nuclear Information System (INIS)

    Bielajew, A.F.; Wilderman, S.J.

    2000-01-01

    The initial formulation of a Monte Carlo scheme for the transport of high-energy (>≅ 100 keV) electrons was established by Berger in 1963. Calling his method the 'condensed history theory', Berger combined the theoretical results of the previous generation of research into developing approximate solutions of the Boltzmann transport equation with numerical algorithms for exploiting the power of computers to permit iterative, piece-wise solution of the transport equation in a computationally intensive but much less approximate fashion. The methods devised by Berger, with comparatively little modification, provide the foundation of all present day Monte Carlo electron transport simulation algorithms. Only in the last 15 years, beginning with the development and publication of the PRESTA algorithm, has there been a significant revisitation of the problem of simulating electron transport within the condensed history framework. Research in this area is ongoing, highly active, and far from complete. It presents an enormous challenge, demanding derivation of new analytical transport solutions based on underlying fundamental interaction mechanisms, intuitive insight in the development of computer algorithms, and state of the art computer science skills in order to permit deployment of these techniques in an efficient manner. The EGS5 project, a modern ground-up rewrite of the EGS4 code, is now in the design phase. EGS5 will take modern photon and electron transport algorithms and deploy them in an easy-to-maintain, modern computer language-ANSI-standard C ++. Moreover, the well-known difficulties of applying EGS4 to practical geometries (geometry code development, tally routine design) should be made easier and more intuitive through the use of a visual user interface being designed by Quantum Research, Inc., work that is presented elsewhere in this conference. This report commences with a historical review of electron transport models culminating with the proposal of a

  19. Methods and apparatus for cooling electronics

    Science.gov (United States)

    Hall, Shawn Anthony; Kopcsay, Gerard Vincent

    2014-12-02

    Methods and apparatus are provided for choosing an energy-efficient coolant temperature for electronics by considering the temperature dependence of the electronics' power dissipation. This dependence is explicitly considered in selecting the coolant temperature T.sub.0 that is sent to the equipment. To minimize power consumption P.sub.Total for the entire system, where P.sub.Total=P.sub.0+P.sub.Cool is the sum of the electronic equipment's power consumption P.sub.0 plus the cooling equipment's power consumption P.sub.Cool, P.sub.Total is obtained experimentally, by measuring P.sub.0 and P.sub.Cool, as a function of three parameters: coolant temperature T.sub.0; weather-related temperature T.sub.3 that affects the performance of free-cooling equipment; and computational state C of the electronic equipment, which affects the temperature dependence of its power consumption. This experiment provides, for each possible combination of T.sub.3 and C, the value T.sub.0* of T.sub.0 that minimizes P.sub.Total. During operation, for any combination of T.sub.3 and C that occurs, the corresponding optimal coolant temperature T.sub.0* is selected, and the cooling equipment is commanded to produce it.

  20. Free Vibration Analysis for Shells of Revolution Using an Exact Dynamic Stiffness Method

    Directory of Open Access Journals (Sweden)

    Xudong Chen

    2016-01-01

    Full Text Available An exact generalised formulation for the free vibration of shells of revolution with general shaped meridians and arbitrary boundary conditions is introduced. Starting from the basic shell theories, the vibration governing equations are obtained in the Hamilton form, from which dynamic stiffness is computed using the ordinary differential equations solver COLSYS. Natural frequencies and modes are determined by employing the Wittrick-Williams (W-W algorithm in conjunction with the recursive Newton’s method, thus expanding the applications of the abovementioned techniques from one-dimensional skeletal structures to two-dimensional shells of revolution. A solution for solving the number of clamped-end frequencies J0 in the W-W algorithm is presented for both uniform and nonuniform shell segment members. Based on these theories, a FORTRAN program is written. Numerical examples on circular cylindrical shells, hyperboloidal cooling tower shells, and spherical shells are given, and error analysis is performed. The convergence of the proposed method on J0 is verified, and comparisons with frequencies from existing literature show that the dynamic stiffness method is robust, reliable, and accurate.

  1. Sequential Fuzzy Diagnosis Method for Motor Roller Bearing in Variable Operating Conditions Based on Vibration Analysis

    Directory of Open Access Journals (Sweden)

    Yi Cao

    2013-06-01

    Full Text Available A novel intelligent fault diagnosis method for motor roller bearings which operate under unsteady rotating speed and load is proposed in this paper. The pseudo Wigner-Ville distribution (PWVD and the relative crossing information (RCI methods are used for extracting the feature spectra from the non-stationary vibration signal measured for condition diagnosis. The RCI is used to automatically extract the feature spectrum from the time-frequency distribution of the vibration signal. The extracted feature spectrum is instantaneous, and not correlated with the rotation speed and load. By using the ant colony optimization (ACO clustering algorithm, the synthesizing symptom parameters (SSP for condition diagnosis are obtained. The experimental results shows that the diagnostic sensitivity of the SSP is higher than original symptom parameter (SP, and the SSP can sensitively reflect the characteristics of the feature spectrum for precise condition diagnosis. Finally, a fuzzy diagnosis method based on sequential inference and possibility theory is also proposed, by which the conditions of the machine can be identified sequentially as well.

  2. Probing electronic and vibrational properties at the electrochemical interface using SFG spectroscopy: Methanol electro-oxidation on Pt(1 1 0)

    Science.gov (United States)

    Vidal, F.; Busson, B.; Tadjeddine, A.

    2005-02-01

    We report the study of methanol electro-oxidation on Pt(1 1 0) using infrared-visible sum-frequency generation (SFG) vibrational spectroscopy. The use of this technique enables to probe the vibrational and electronic properties of the interface simultaneously in situ. We have investigated the vibrational properties of the interface in the CO ads internal stretch spectral region (1700-2150 cm -1) over a wide range of potentials. The analysis of the evolution of the C-O stretch line shape, which is related to the interference between the vibrational and electronic parts of the non-linear response, with the potential allows us to show that the onset of bulk methanol oxidation corresponds to the transition from a negatively to a positively charged surface.

  3. Robust design method and thermostatic experiment for multiple piezoelectric vibration absorber system

    International Nuclear Information System (INIS)

    Nambu, Yohsuke; Takashima, Toshihide; Inagaki, Akiya

    2015-01-01

    This paper examines the effects of connecting multiplexing shunt circuits composed of inductors and resistors to piezoelectric transducers so as to improve the robustness of a piezoelectric vibration absorber (PVA). PVAs are well known to be effective at suppressing the vibration of an adaptive structure; their weakness is low robustness to changes in the dynamic parameters of the system, including the main structure and the absorber. In the application to space structures, the temperature-dependency of capacitance of piezoelectric ceramics is the factor that causes performance reduction. To improve robustness to the temperature-dependency of the capacitance, this paper proposes a multiple-PVA system that is composed of distributed piezoelectric transducers and several shunt circuits. The optimization problems that determine both the frequencies and the damping ratios of the PVAs are multi-objective problems, which are solved using a real-coded genetic algorithm in this paper. A clamped aluminum beam with four groups of piezoelectric ceramics attached was considered in simulations and experiments. Numerical simulations revealed that the PVA systems designed using the proposed method had tolerance to changes in the capacitances. Furthermore, experiments using a thermostatic bath were conducted to reveal the effectiveness and robustness of the PVA systems. The maximum peaks of the transfer functions of the beam with the open circuit, the single-PVA system, the double-PVA system, and the quadruple-PVA system at 20 °C were 14.3 dB, −6.91 dB, −7.47 dB, and −8.51 dB, respectively. The experimental results also showed that the multiple-PVA system is more robust than a single PVA in a variable temperature environment from −10 °C to 50 °C. In conclusion, the use of multiple PVAs results in an effective, robust vibration control method for adaptive structures. (paper)

  4. Transverse vibration of pipe conveying fluid made of functionally graded materials using a symplectic method

    International Nuclear Information System (INIS)

    Wang, Zhong-Min; Liu, Yan-Zhuang

    2016-01-01

    Highlights: • We investigate the transverse vibration of FGM pipe conveying fluid. • The FGM pipe conveying fluid can be classified into two cases. • The variations between the frequency and the power law exponent are obtained. • “Case 1” is relatively more reasonable than “case 2”. - Abstract: Problems related to the transverse vibration of pipe conveying fluid made of functionally graded material (FGM) are addressed. Based on inside and outside surface material compositions of the pipe, FGM pipe conveying fluid can be classified into two cases. It is hypothesized that the physical parameters of the material along the direction of the pipe wall thickness change in the simple power law. A differential equation of motion expressed in non-dimensional quantities is derived by using Hamilton's principle for systems of changing mass. Using the assuming modal method, the pipe deflection function is expanded into a series, in which each term is expressed to admissible function multiplied by generalized coordinate. Then, the differential equation of motion is discretized into the two order differential equations expressed in the generalized coordinates. Based on symplectic elastic theory and the introduction of dual system and dual variable, Hamilton's dual equations are derived, and the original problem is reduced to eigenvalue and eigenvector problem in the symplectic space. Finally, a symplectic method is employed to analyze the vibration and stability of FGM pipe conveying fluid. For a clamped–clamped FGM pipe conveying fluid in “case 1” and “case 2”, the dimensionless critical flow velocity for first-mode divergence and the critical coupled-mode flutter flow velocity are obtained, and the variations between the real part and imaginary part of dimensionless complex frequency and fluid velocity, mass ratio and the power law exponent (or graded index, volume fraction) for FGM pipe conveying fluid are analyzed.

  5. Transverse vibration of pipe conveying fluid made of functionally graded materials using a symplectic method

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Zhong-Min, E-mail: wangzhongm@xaut.edu.cn; Liu, Yan-Zhuang

    2016-03-15

    Highlights: • We investigate the transverse vibration of FGM pipe conveying fluid. • The FGM pipe conveying fluid can be classified into two cases. • The variations between the frequency and the power law exponent are obtained. • “Case 1” is relatively more reasonable than “case 2”. - Abstract: Problems related to the transverse vibration of pipe conveying fluid made of functionally graded material (FGM) are addressed. Based on inside and outside surface material compositions of the pipe, FGM pipe conveying fluid can be classified into two cases. It is hypothesized that the physical parameters of the material along the direction of the pipe wall thickness change in the simple power law. A differential equation of motion expressed in non-dimensional quantities is derived by using Hamilton's principle for systems of changing mass. Using the assuming modal method, the pipe deflection function is expanded into a series, in which each term is expressed to admissible function multiplied by generalized coordinate. Then, the differential equation of motion is discretized into the two order differential equations expressed in the generalized coordinates. Based on symplectic elastic theory and the introduction of dual system and dual variable, Hamilton's dual equations are derived, and the original problem is reduced to eigenvalue and eigenvector problem in the symplectic space. Finally, a symplectic method is employed to analyze the vibration and stability of FGM pipe conveying fluid. For a clamped–clamped FGM pipe conveying fluid in “case 1” and “case 2”, the dimensionless critical flow velocity for first-mode divergence and the critical coupled-mode flutter flow velocity are obtained, and the variations between the real part and imaginary part of dimensionless complex frequency and fluid velocity, mass ratio and the power law exponent (or graded index, volume fraction) for FGM pipe conveying fluid are analyzed.

  6. Ab initio study of structural, electronic, optical, and vibrational properties of Zn{sub x}S{sub y} (x + y = 2 to 5) nanoclusters

    Energy Technology Data Exchange (ETDEWEB)

    Yadav, P. S.; Pandey, D. K., E-mail: pdhiraj2000@gmail.com; Agrawal, S.; Agrawal, B. K. [Allahabad University, Department of Physics (India)

    2010-03-15

    An ab initio study of the stability, structural, electronic. and optical properties has been performed for 46 zinc sulfide nanoclusters Zn{sub x}S{sub y} (x + y = n = 2 to 5). Five out of them are seen to be unstable as their vibrational frequencies are found to be imaginary. A B3LYP-DFT/6-311G(3df) method is employed to optimize the geometries and a TDDFT method is used for the study of the optical properties. The binding energies (BE), HOMO-LUMO gaps and the bond lengths have been obtained for all the clusters. For the ZnS{sub 2}, ZnS{sub 3}, and ZnS{sub 4} nanoclusters, our stable structures are seen to be different from those obtained earlier by using the effective core potentials. We have also considered the zero point energy (ZPE) corrections ignored by the earlier workers. For a fixed value of n, we designate the most stable structure the one, which has maximum final binding energy per atom. The adiabatic and vertical ionization potentials (IP) and electron affinities (EA), charges on the atoms, dipole moments, optical properties, vibrational frequencies, infrared intensities, relative infrared intensities, and Raman scattering activities have been investigated for the most stable structures. The nanoclusters containing large number of S atoms for each n is found to be most stable. The HOMO-LUMO gap decreases from n = 2-3 and then increases above n = 3. The IP and EA both fluctuate with the cluster size n. The optical absorption is quite weak in visible region but strong in the ultraviolet region in most of the nanoclusters except a few. The optical absorption spectrum or electron energy loss spectrum (EELS) is unique for every nanocluster and may be used to characterize a specific nanocluster. The growth of most stable nanoclusters may be possible in the experiments.

  7. Ab initio study of structural, electronic, optical, and vibrational properties of Zn x S y ( x + y = 2 to 5) nanoclusters

    Science.gov (United States)

    Yadav, P. S.; Pandey, D. K.; Agrawal, S.; Agrawal, B. K.

    2010-03-01

    An ab initio study of the stability, structural, electronic. and optical properties has been performed for 46 zinc sulfide nanoclusters Zn x S y ( x + y = n = 2 to 5). Five out of them are seen to be unstable as their vibrational frequencies are found to be imaginary. A B3LYP-DFT/6-311G(3df) method is employed to optimize the geometries and a TDDFT method is used for the study of the optical properties. The binding energies (BE), HOMO-LUMO gaps and the bond lengths have been obtained for all the clusters. For the ZnS2, ZnS3, and ZnS4 nanoclusters, our stable structures are seen to be different from those obtained earlier by using the effective core potentials. We have also considered the zero point energy (ZPE) corrections ignored by the earlier workers. For a fixed value of n, we designate the most stable structure the one, which has maximum final binding energy per atom. The adiabatic and vertical ionization potentials (IP) and electron affinities (EA), charges on the atoms, dipole moments, optical properties, vibrational frequencies, infrared intensities, relative infrared intensities, and Raman scattering activities have been investigated for the most stable structures. The nanoclusters containing large number of S atoms for each n is found to be most stable. The HOMO-LUMO gap decreases from n = 2-3 and then increases above n = 3. The IP and EA both fluctuate with the cluster size n. The optical absorption is quite weak in visible region but strong in the ultraviolet region in most of the nanoclusters except a few. The optical absorption spectrum or electron energy loss spectrum (EELS) is unique for every nanocluster and may be used to characterize a specific nanocluster. The growth of most stable nanoclusters may be possible in the experiments.

  8. Nonradiative electron and energy transfer. Explicit estimation of the influence of coherent and dephasing processes in a vibrational bath on electronic dynamics

    Czech Academy of Sciences Publication Activity Database

    Menšík, Miroslav; Král, Karel

    2009-01-01

    Roč. 27, č. 3 (2009), s. 671-684 ISSN 0137-1339. [International Conference on Electrical and Related Properties of Organic Solids /11./. Piechowice, 13.07.2008-17.07.2008] R&D Projects: GA AV ČR KAN401770651; GA ČR GA202/07/0643 Institutional research plan: CEZ:AV0Z40500505; CEZ:AV0Z10100520 Keywords : electron-vibrational interaction * non-adiabatic coupling * resonant energy transfer Subject RIV: CD - Macromolecular Chemistry Impact factor: 0.384, year: 2009

  9. Orbital-optimized coupled-electron pair theory and its analytic gradients: Accurate equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactions

    Science.gov (United States)

    Bozkaya, Uǧur; Sherrill, C. David

    2013-08-01

    Orbital-optimized coupled-electron pair theory [or simply "optimized CEPA(0)," OCEPA(0), for short] and its analytic energy gradients are presented. For variational optimization of the molecular orbitals for the OCEPA(0) method, a Lagrangian-based approach is used along with an orbital direct inversion of the iterative subspace algorithm. The cost of the method is comparable to that of CCSD [O(N6) scaling] for energy computations. However, for analytic gradient computations the OCEPA(0) method is only half as expensive as CCSD since there is no need to solve the λ2-amplitude equation for OCEPA(0). The performance of the OCEPA(0) method is compared with that of the canonical MP2, CEPA(0), CCSD, and CCSD(T) methods, for equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactions between radicals. For bond lengths of both closed and open-shell molecules, the OCEPA(0) method improves upon CEPA(0) and CCSD by 25%-43% and 38%-53%, respectively, with Dunning's cc-pCVQZ basis set. Especially for the open-shell test set, the performance of OCEPA(0) is comparable with that of CCSD(T) (ΔR is 0.0003 Å on average). For harmonic vibrational frequencies of closed-shell molecules, the OCEPA(0) method again outperforms CEPA(0) and CCSD by 33%-79% and 53%-79%, respectively. For harmonic vibrational frequencies of open-shell molecules, the mean absolute error (MAE) of the OCEPA(0) method (39 cm-1) is fortuitously even better than that of CCSD(T) (50 cm-1), while the MAEs of CEPA(0) (184 cm-1) and CCSD (84 cm-1) are considerably higher. For complete basis set estimates of hydrogen transfer reaction energies, the OCEPA(0) method again exhibits a substantially better performance than CEPA(0), providing a mean absolute error of 0.7 kcal mol-1, which is more than 6 times lower than that of CEPA(0) (4.6 kcal mol-1), and comparing to MP2 (7.7 kcal mol-1) there is a more than 10-fold reduction in errors. Whereas the MAE for the CCSD method is only 0.1 kcal

  10. Structural, electronic, optical and vibrational properties of nanoscale carbons and nanowires: a colloquial review.

    Science.gov (United States)

    Cole, Milton W; Crespi, Vincent H; Dresselhaus, Mildred S; Dresselhaus, Gene; Fischer, John E; Gutierrez, Humberto R; Kojima, K; Mahan, Gerald D; Rao, Apparao M; Sofo, Jorge O; Tachibana, M; Wako, K; Xiong, Qihua

    2010-08-25

    This review addresses the field of nanoscience as viewed through the lens of the scientific career of Peter Eklund, thus with a special focus on nanocarbons and nanowires. Peter brought to his research an intense focus, imagination, tenacity, breadth and ingenuity rarely seen in modern science. His goal was to capture the essential physics of natural phenomena. This attitude also guides our writing: we focus on basic principles, without sacrificing accuracy, while hoping to convey an enthusiasm for the science commensurate with Peter's. The term 'colloquial review' is intended to capture this style of presentation. The diverse phenomena of condensed matter physics involve electrons, phonons and the structures within which excitations reside. The 'nano' regime presents particularly interesting and challenging science. Finite size effects play a key role, exemplified by the discrete electronic and phonon spectra of C(60) and other fullerenes. The beauty of such molecules (as well as nanotubes and graphene) is reflected by the theoretical principles that govern their behavior. As to the challenge, 'nano' requires special care in materials preparation and treatment, since the surface-to-volume ratio is so high; they also often present difficulties of acquiring an experimental signal, since the samples can be quite small. All of the atoms participate in the various phenomena, without any genuinely 'bulk' properties. Peter was a master of overcoming such challenges. The primary activity of Eklund's research was to measure and understand the vibrations of atoms in carbon materials. Raman spectroscopy was very dear to Peter. He published several papers on the theory of phonons (Eklund et al 1995a Carbon 33 959-72, Eklund et al 1995b Thin Solid Films 257 211-32, Eklund et al 1992 J. Phys. Chem. Solids 53 1391-413, Dresselhaus and Eklund 2000 Adv. Phys. 49 705-814) and many more papers on measuring phonons (Pimenta et al 1998b Phys. Rev. B 58 16016-9, Rao et al 1997a Nature

  11. Structural, electronic, optical and vibrational properties of nanoscale carbons and nanowires: a colloquial review

    International Nuclear Information System (INIS)

    Cole, Milton W; Crespi, Vincent H; Dresselhaus, Mildred S; Dresselhaus, Gene; Fischer, John E; Gutierrez, Humberto R; Kojima, K; Wako, K; Mahan, Gerald D; Rao, Apparao M; Sofo, Jorge O; Tachibana, M; Xiong Qihua

    2010-01-01

    This review addresses the field of nanoscience as viewed through the lens of the scientific career of Peter Eklund, thus with a special focus on nanocarbons and nanowires. Peter brought to his research an intense focus, imagination, tenacity, breadth and ingenuity rarely seen in modern science. His goal was to capture the essential physics of natural phenomena. This attitude also guides our writing: we focus on basic principles, without sacrificing accuracy, while hoping to convey an enthusiasm for the science commensurate with Peter's. The term 'colloquial review' is intended to capture this style of presentation. The diverse phenomena of condensed matter physics involve electrons, phonons and the structures within which excitations reside. The 'nano' regime presents particularly interesting and challenging science. Finite size effects play a key role, exemplified by the discrete electronic and phonon spectra of C 60 and other fullerenes. The beauty of such molecules (as well as nanotubes and graphene) is reflected by the theoretical principles that govern their behavior. As to the challenge, 'nano' requires special care in materials preparation and treatment, since the surface-to-volume ratio is so high; they also often present difficulties of acquiring an experimental signal, since the samples can be quite small. All of the atoms participate in the various phenomena, without any genuinely 'bulk' properties. Peter was a master of overcoming such challenges. The primary activity of Eklund's research was to measure and understand the vibrations of atoms in carbon materials. Raman spectroscopy was very dear to Peter. He published several papers on the theory of phonons (Eklund et al 1995a Carbon 33 959-72, Eklund et al 1995b Thin Solid Films 257 211-32, Eklund et al 1992 J. Phys. Chem. Solids 53 1391-413, Dresselhaus and Eklund 2000 Adv. Phys. 49 705-814) and many more papers on measuring phonons (Pimenta et al 1998b Phys. Rev. B 58 16016-9, Rao et al 1997a Nature

  12. Electron paramagnetic resonance of Cu(II) and vibrational spectrum of chalcanthite

    International Nuclear Information System (INIS)

    Reddy, B.J.; Sreeramulu, P.; Ramesh, K.; Reddy, Y.P.; Botto, I.L.

    1988-01-01

    The EPR spectrum of Cu(II) in Chalcanthite has the characteristic features of D 4h symmetry. Optical and EPR results are correlated. The parameters g parallel, g perpendicular, k parallel and k perpendicular are evaluated. The nature of the bonding between the metal ion and the ligand environment is analized. On the other hand, the vibrational spectrum confirms the information about the site symmetry of the SO 4 group in the lattice. (Author) [es

  13. Vibrational and electronic spectroscopy of ion-implantation-induced defects in fused silica and crystalline quartz

    International Nuclear Information System (INIS)

    Arnold, G.W.

    1978-01-01

    Defects produced by implantation of various atomic species in fused and crystalline SiO 2 were studied using infrared reflection spectroscopy (IRS) with UV-visible spectroscopy. We observe a new vibrational band at 830 cm -1 which is tentatively associated with the creation of two nonbridging O atoms in SiO 4 units. Numerous chemical effects were also observed, including evidence for chemical incorporation of Li and anomalously large O-vacancy production for Al + , B + and Si + implantation

  14. Comparative evaluation of different methods of treatment of miners with vibration-noise pathology

    Energy Technology Data Exchange (ETDEWEB)

    Bel' skaya, M.L.; Nekhorosheva, M.A.; Konovalova, S.I.; Kukhtina, G.V.; Gonchar, I.G.; Terent' eva, D.P.; Grishchenko, L.A.; Soboleva, N.P.; Kharitonov, S.A.; Priklonskii, I.V.

    1984-10-01

    Two new therapeutic methods of treating vibration-noise pathology, needle acupuncture and hyperbaric oxygenation, are compared with established methods of medical and physical therapy. Four complexes of therapy are recommended: I complex (control), medication and physical therapy; II complex, acupuncture and medical therapy; III complex, acupuncture, medical and physical therapy; IV complex, hyperbaric oxygenation, medical and physical therapy. The four complexes were tested on a selected group of miners. II, III and IV complexes were correlated with control (I) on the basis of subjective signs, objective changes in nervous system and functional state of vegetative and peripheral nervous system. A table compares the effectiveness of II, III, IV complexes with I complex. Results confirm effectiveness of medical and physical therapy. Application of acupuncture increases benefits to cardiovascular system and hyperbaric therapy aids neurosensory hearing impairment. As a result of investigation, acupuncture and hyperbaric therapy are recommended for treatment of patients suffering vibration-noise pathology with a differential approach to their purpose. 8 references.

  15. Vibration isolation design for periodically stiffened shells by the wave finite element method

    Science.gov (United States)

    Hong, Jie; He, Xueqing; Zhang, Dayi; Zhang, Bing; Ma, Yanhong

    2018-04-01

    Periodically stiffened shell structures are widely used due to their excellent specific strength, in particular for aeronautical and astronautical components. This paper presents an improved Wave Finite Element Method (FEM) that can be employed to predict the band-gap characteristics of stiffened shell structures efficiently. An aero-engine casing, which is a typical periodically stiffened shell structure, was employed to verify the validation and efficiency of the Wave FEM. Good agreement has been found between the Wave FEM and the classical FEM for different boundary conditions. One effective wave selection method based on the Wave FEM has thus been put forward to filter the radial modes of a shell structure. Furthermore, an optimisation strategy by the combination of the Wave FEM and genetic algorithm was presented for periodically stiffened shell structures. The optimal out-of-plane band gap and the mass of the whole structure can be achieved by the optimisation strategy under an aerodynamic load. Results also indicate that geometric parameters of stiffeners can be properly selected that the out-of-plane vibration attenuates significantly in the frequency band of interest. This study can provide valuable references for designing the band gaps of vibration isolation.

  16. About a sequential method for non destructive testing of structures by mechanical vibrations

    International Nuclear Information System (INIS)

    Suarez Antola, R.

    2001-01-01

    The presence and growth of cracks voids or fields of pores under applied forces or environmental actions can produce a meaningful lowering in the proper frequencies of normal modes of mechanical vibration in structures.A quite general expression for the square of modes proper frequency as a functional of displacement field,density field and elastic moduli fields is used as a starting point.The effect of defects on frequency are modeled as equivalent changes in density and elastic moduli fields,introducing the concept of region of influence of each defect.An approximate expression is obtained which relates the relative lowering in the square of modes proper frequency with position,size,shape and orientation of defects in mode displacement field.Some simple examples of structural elements with cracks or fields of pores are considered.the connection with linear elastic fracture mechanics is briefly exemplified.A sequential method is proposed for non-destructive testing of structures using mechanical vibrations combined with properly chosen local nondestructive testing methods

  17. Pairing vibrational and isospin rotational states in a particle number and isospin projected generator coordinate method

    International Nuclear Information System (INIS)

    Chen, H.T.; Muether, H.; Faessler, A.

    1978-01-01

    Pairing vibrational and isospin rotational states are described in different approximations based on particle number and isospin projected, proton-proton, neutron-neutron and proton-neutron pairing wave functions and on the generator coordinate method (GCM). The investigations are performed in models for which an exact group theoretical solution exists. It turns out that a particle number and isospin projection is essential to yield a good approximation to the ground state or isospin yrast state energies. For strong pairing correlations (pairing force constant equal to the single-particle level distance) isospin cranking (-ωTsub(x)) yields with particle number projected pairing wave function also good agreement with the exact energies. GCM wave functions generated by particle number and isospin projected BCS functions with different amounts of pairing correlations yield for the lowest T=0 and T=2 states energies which are practically indistinguishable from the exact solutions. But even the second and third lowest energies of charge-symmetric states are still very reliable. Thus it is concluded that also in realistic cases isospin rotational and pairing vibrational states may be described in the framework of the GCM method with isospin and particle number projected generating wave functions. (Auth.)

  18. Application of empirical mode decomposition method for characterization of random vibration signals

    Directory of Open Access Journals (Sweden)

    Setyamartana Parman

    2016-07-01

    Full Text Available Characterization of finite measured signals is a great of importance in dynamical modeling and system identification. This paper addresses an approach for characterization of measured random vibration signals where the approach rests on a method called empirical mode decomposition (EMD. The applicability of proposed approach is tested in one numerical and experimental data from a structural system, namely spar platform. The results are three main signal components, comprising: noise embedded in the measured signal as the first component, first intrinsic mode function (IMF called as the wave frequency response (WFR as the second component and second IMF called as the low frequency response (LFR as the third component while the residue is the trend. Band-pass filter (BPF method is taken as benchmark for the results obtained from EMD method.

  19. Vibrational methods of the overhead gas-pipelines technological equipment diagnostics

    International Nuclear Information System (INIS)

    Zakhezin, A.M.; Malysheva, T.V.

    2001-01-01

    The diagnostic methods of overhead gas-pipelines of the technical equipment of gas-compressor station are considered in this article by carrying out registration certification documentation. Some faults of overhead technical gas-pipelines have been proposed. This paper is devoted to the diagnostic methods of the whole gas- pipelines and their parts for some faults during expert checking fulfillment and carrying out registration certification documentation. The analysis of all defects allows to determine a 'between-repairs interval', to develop some operations to avoid these faults and to estimate the repair operation quality, to reduce failure probability. As an example of the effectiveness of technical condition service of vibrational methods by expertise fulfillment have been considered for some defects of the overhead pipelines. (author)

  20. Structural health monitoring on medium rise reinforced concrete building using ambient vibration method

    Science.gov (United States)

    Kamarudin, A. F.; Mokhatar, S. N.; Zainal Abidin, M. H.; Daud, M. E.; Rosli, M. S.; Ibrahim, A.; Ibrahim, Z.; Noh, M. S. Md

    2018-04-01

    Monitoring of structural health from initial stage of building construction to its serviceability is an ideal practise to assess for any structural defects or damages. Structural integrity could be intruded by natural destruction or structural deterioration, and worse if without remedy action on monitoring, building re-assessment or maintenance is taken. In this study the application of ambient vibration (AV) testing is utilized to evaluate the health of eighth stories medium rise reinforced concrete building in Universiti Tun Hussein Onn Malaysia (UTHM), based comparison made between the predominant frequency, fo, determined in year 2012 and 2017. For determination of fo, popular method of Fourier Amplitude Spectra (FAS) was used to transform the ambient vibration time series by using 1 Hz tri-axial seismometer sensors and City SharkII data recorder. From the results, it shows the first mode frequencies from FAS curves indicate at 2.04 Hz in 2012 and 1.97 Hz in 2017 with only 3.14% of frequency reduction. However, steady state frequencies shown at the second and third modes frequencies of 2.42 Hz and 3.31 Hz by both years. Two translation mode shapes were found at the first and second mode frequencies in the North-South (NS-parallel to building transverse axis) and East-West (EsW-parallel to building longitudinal axis) components, and the torsional mode shape shows as the third mode frequency in both years. No excessive deformation amplitude was found at any selective floors based on comparison made between three mode shapes produced, that could bring to potential feature of structural deterioration. Low percentages of natural frequency disparity within five years of duration interval shown by the first mode frequencies under ambient vibration technique was considered in good health state, according to previous researchers recommendation at acceptable percentages below 5 to 10% over the years.

  1. The pressure dependence of structural, electronic, mechanical, vibrational, and thermodynamic properties of palladium-based Heusler alloys

    Energy Technology Data Exchange (ETDEWEB)

    Coban, Cansu [Balikesir Univ. (Turkey). Dept. of Physics

    2017-07-01

    The pressure dependent behaviour of the structural, electronic, mechanical, vibrational, and thermodynamic properties of Pd{sub 2}TiX (X=Ga, In) Heusler alloys was investigated by ab initio calculations. The lattice constant, the bulk modulus and its first pressure derivative, the electronic band structure and the density of states (DOS), mechanical properties such as elastic constants, anisotropy factor, Young's modulus, etc., the phonon dispersion curves and phonon DOS, entropy, heat capacity, and free energy were obtained under pressure. It was determined that the calculated lattice parameters are in good agreement with the literature, the elastic constants obey the stability criterion, and the phonon dispersion curves have no negative frequency which shows that the compounds are stable. The band structures at 0, 50, and 70 GPa showed valence instability at the L point which explains the superconductivity in Pd{sub 2}TiX (X=Ga, In).

  2. Absolute vibrational excitation cross sections for 1-18 eV electron scattering from condensed dimethyl phosphate (DMP)

    Science.gov (United States)

    Lemelin, V.; Bass, A. D.; Wagner, J. R.; Sanche, L.

    2017-12-01

    Absolute cross sections (CSs) for vibrational excitation by 1-18 eV electrons incident on condensed dimethyl phosphate (DMP) were measured with a high-resolution electron energy loss (EEL) spectrometer. Absolute CSs were extracted from EEL spectra of DMP condensed on multilayer film of Ar held at about 20 K under ultra-high vacuum (˜1 × 10-11 Torr). Structures observed in the energy dependence of the CSs around 2, 4, 7, and 12 eV were compared with previous results of gas- and solid-phase experiments and with theoretical studies on dimethyl phosphate and related molecules. These structures were attributed to the formation of shape resonances.

  3. Study on vibration characteristics and fault diagnosis method of oil-immersed flat wave reactor in Arctic area converter station

    Science.gov (United States)

    Lai, Wenqing; Wang, Yuandong; Li, Wenpeng; Sun, Guang; Qu, Guomin; Cui, Shigang; Li, Mengke; Wang, Yongqiang

    2017-10-01

    Based on long term vibration monitoring of the No.2 oil-immersed fat wave reactor in the ±500kV converter station in East Mongolia, the vibration signals in normal state and in core loose fault state were saved. Through the time-frequency analysis of the signals, the vibration characteristics of the core loose fault were obtained, and a fault diagnosis method based on the dual tree complex wavelet (DT-CWT) and support vector machine (SVM) was proposed. The vibration signals were analyzed by DT-CWT, and the energy entropy of the vibration signals were taken as the feature vector; the support vector machine was used to train and test the feature vector, and the accurate identification of the core loose fault of the flat wave reactor was realized. Through the identification of many groups of normal and core loose fault state vibration signals, the diagnostic accuracy of the result reached 97.36%. The effectiveness and accuracy of the method in the fault diagnosis of the flat wave reactor core is verified.

  4. An evaluation method of critical velocity for self-excited vibration of cross-shaped tube bundle in cross flow

    International Nuclear Information System (INIS)

    Inada, Fumio; Nishihara, Takashi; Yasuo, Akira; Morita, Ryo

    2002-01-01

    The applicability of the cross-shaped tube bundle as a lower plenum component of pressure vessel is examined to develop a next generation LWR in Japanese electric utilities. The flow-induced vibration characteristics are not understood well. Methods to evaluate turbulence induced vibration and vortex induced vibration were proposed by CRIEPI. In this study, vibration response is obtained experimentally to propose a method to evaluate self-excited vibration of cross-shaped tube bundle. The self-excited vibration was found to be generated when nondimensional flow velocity was above a critical value. The nondimensional critical velocity of normal configuration is 15% smaller than that of staggered configuration, which means that the nondimensional critical velocity of normal configuration can give conservative evaluation. The result of Reynolds number Re=6.2 x 10 4 agrees well with that of Re=6.8 x 10 5 , in which region, the effect of Reynolds number on the critical velocity is small. (author)

  5. A Non-Uniformly Under-Sampled Blade Tip-Timing Signal Reconstruction Method for Blade Vibration Monitoring

    Directory of Open Access Journals (Sweden)

    Zheng Hu

    2015-01-01

    Full Text Available High-speed blades are often prone to fatigue due to severe blade vibrations. In particular, synchronous vibrations can cause irreversible damages to the blade. Blade tip-timing methods (BTT have become a promising way to monitor blade vibrations. However, synchronous vibrations are unsuitably monitored by uniform BTT sampling. Therefore, non-equally mounted probes have been used, which will result in the non-uniformity of the sampling signal. Since under-sampling is an intrinsic drawback of BTT methods, how to analyze non-uniformly under-sampled BTT signals is a big challenge. In this paper, a novel reconstruction method for non-uniformly under-sampled BTT data is presented. The method is based on the periodically non-uniform sampling theorem. Firstly, a mathematical model of a non-uniform BTT sampling process is built. It can be treated as the sum of certain uniform sample streams. For each stream, an interpolating function is required to prevent aliasing in the reconstructed signal. Secondly, simultaneous equations of all interpolating functions in each sub-band are built and corresponding solutions are ultimately derived to remove unwanted replicas of the original signal caused by the sampling, which may overlay the original signal. In the end, numerical simulations and experiments are carried out to validate the feasibility of the proposed method. The results demonstrate the accuracy of the reconstructed signal depends on the sampling frequency, the blade vibration frequency, the blade vibration bandwidth, the probe static offset and the number of samples. In practice, both types of blade vibration signals can be particularly reconstructed by non-uniform BTT data acquired from only two probes.

  6. An Examination of a Music Appreciation Method Incorporating Tactile Sensations from Artificial Vibrations

    Science.gov (United States)

    Ideguchi, Tsuyoshi; Yoshida, Ryujyu; Ooshima, Keita

    We examined how test subject impressions of music changed when artificial vibrations were incorporated as constituent elements of a musical composition. In this study, test subjects listened to several music samples in which different types of artificial vibration had been incorporated and then subjectively evaluated any resulting changes to their impressions of the music. The following results were obtained: i) Even if rhythm vibration is added to a silent component of a musical composition, it can effectively enhance musical fitness. This could be readily accomplished when actual sounds that had been synchronized with the vibration components were provided beforehand. ii) The music could be listened to more comfortably by adding not only a natural vibration extracted from percussion instruments but also artificial vibration as tactile stimulation according to intentional timing. Furthermore, it was found that the test subjects' impression of the music was affected by a characteristic of the artificial vibration. iii) Adding vibration to high-frequency areas can offer an effective and practical way of enhancing the appeal of a musical composition. iv) The movement sensations of sound and vibration could be experienced when the strength of the sound and vibration are modified in turn. These results suggest that the intentional application of artificial vibration could result in a sensitivity amplification factor on the part of a listener.

  7. Standardless quantification methods in electron probe microanalysis

    Energy Technology Data Exchange (ETDEWEB)

    Trincavelli, Jorge, E-mail: trincavelli@famaf.unc.edu.ar [Facultad de Matemática, Astronomía y Física, Universidad Nacional de Córdoba, Ciudad Universitaria, 5000 Córdoba (Argentina); Instituto de Física Enrique Gaviola, Consejo Nacional de Investigaciones Científicas y Técnicas de la República Argentina, Medina Allende s/n, Ciudad Universitaria, 5000 Córdoba (Argentina); Limandri, Silvina, E-mail: s.limandri@conicet.gov.ar [Facultad de Matemática, Astronomía y Física, Universidad Nacional de Córdoba, Ciudad Universitaria, 5000 Córdoba (Argentina); Instituto de Física Enrique Gaviola, Consejo Nacional de Investigaciones Científicas y Técnicas de la República Argentina, Medina Allende s/n, Ciudad Universitaria, 5000 Córdoba (Argentina); Bonetto, Rita, E-mail: bonetto@quimica.unlp.edu.ar [Centro de Investigación y Desarrollo en Ciencias Aplicadas Dr. Jorge Ronco, Consejo Nacional de Investigaciones Científicas y Técnicas de la República Argentina, Facultad de Ciencias Exactas, de la Universidad Nacional de La Plata, Calle 47 N° 257, 1900 La Plata (Argentina)

    2014-11-01

    The elemental composition of a solid sample can be determined by electron probe microanalysis with or without the use of standards. The standardless algorithms are quite faster than the methods that require standards; they are useful when a suitable set of standards is not available or for rough samples, and also they help to solve the problem of current variation, for example, in equipments with cold field emission gun. Due to significant advances in the accuracy achieved during the last years, product of the successive efforts made to improve the description of generation, absorption and detection of X-rays, the standardless methods have increasingly become an interesting option for the user. Nevertheless, up to now, algorithms that use standards are still more precise than standardless methods. It is important to remark, that care must be taken with results provided by standardless methods that normalize the calculated concentration values to 100%, unless an estimate of the errors is reported. In this work, a comprehensive discussion of the key features of the main standardless quantification methods, as well as the level of accuracy achieved by them is presented. - Highlights: • Standardless methods are a good alternative when no suitable standards are available. • Their accuracy reaches 10% for 95% of the analyses when traces are excluded. • Some of them are suitable for the analysis of rough samples.

  8. Modal mass estimation from ambient vibrations measurement: A method for civil buildings

    Science.gov (United States)

    Acunzo, G.; Fiorini, N.; Mori, F.; Spina, D.

    2018-01-01

    A new method for estimating the modal mass ratios of buildings from unscaled mode shapes identified from ambient vibrations is presented. The method is based on the Multi Rigid Polygons (MRP) model in which each floor of the building is ideally divided in several non-deformable polygons that move independent of each other. The whole mass of the building is concentrated in the centroid of the polygons and the experimental mode shapes are expressed in term of rigid translations and of rotations. In this way, the mass matrix of the building can be easily computed on the basis of simple information about the geometry and the materials of the structure. The modal mass ratios can be then obtained through the classical equation of structural dynamics. Ambient vibrations measurement must be performed according to this MRP models, using at least two biaxial accelerometers per polygon. After a brief illustration of the theoretical background of the method, numerical validations are presented analysing the method sensitivity for possible different source of errors. Quality indexes are defined for evaluating the approximation of the modal mass ratios obtained from a certain MRP model. The capability of the proposed model to be applied to real buildings is illustrated through two experimental applications. In the first one, a geometrically irregular reinforced concrete building is considered, using a calibrated Finite Element Model for validating the results of the method. The second application refers to a historical monumental masonry building, with a more complex geometry and with less information available. In both cases, MRP models with a different number of rigid polygons per floor are compared.

  9. 31 CFR 203.10 - Electronic payment methods.

    Science.gov (United States)

    2010-07-01

    ... 31 Money and Finance: Treasury 2 2010-07-01 2010-07-01 false Electronic payment methods. 203.10... TAX AND LOAN PROGRAM Electronic Federal Tax Payments § 203.10 Electronic payment methods. (a) General. Electronic payment methods for Federal tax payments available under this subpart include ACH debit entries...

  10. Vibration of machine

    International Nuclear Information System (INIS)

    Kwak, Mun Gyu; Na, Sung Su; Baek, Gwang Hyeon; Song, Chul Gi; Han, Sang Bo

    2001-09-01

    This book deals with vibration of machine which gives descriptions of free vibration using SDOF system, forced vibration using SDOF system, vibration of multi-degree of freedom system like introduction and normal form, distribution system such as introduction, free vibration of bar and practice problem, approximate solution like lumped approximations and Raleigh's quotient, engineering by intuition and experience, real problem and experimental method such as technology of signal, fourier transform analysis, frequency analysis and sensor and actuator.

  11. Seismic analysis methods for LMFBR core and verification with mock-up vibration tests

    International Nuclear Information System (INIS)

    Sasaki, Y.; Kobayashi, T.; Fujimoto, S.

    1988-01-01

    This paper deals with the vibration behaviors of a cluster of core elements with the hexagonal cross section in a barrel under the dynamic excitation due to seismic events. When a strong earthquake excitation is applied to the core support, the cluster of core elements displace to a geometrical limit determined by restraint rings in the barrel, and collisions could occur between adjacent elements as a result of their relative motion. For these reasons, seismic analysis on LMFBR core elements is a complicated non-linear vibration problem, which includes collisions and fluid interactions. In an actual core design, it is hard to include hundreds of elements in the numerical calculations. In order to study the seismic behaviors of core elements, experiments with single row 29 elements (17 core fuel assemblies, 4 radial blanket assemblies, and 8 neutron shield assemblies) simulated all elements in MONJU core central row, and experiments with 7 cluster rows of 37 core fuel assemblies in the core center were performed in a fluid filled tank, using a large-sized shaking table. Moreover, the numerical analyses of these experiments were performed for the validation of simplified and detailed analytical methods. 4 refs, 18 figs

  12. Automatic crack detection method for loaded coal in vibration failure process.

    Directory of Open Access Journals (Sweden)

    Chengwu Li

    Full Text Available In the coal mining process, the destabilization of loaded coal mass is a prerequisite for coal and rock dynamic disaster, and surface cracks of the coal and rock mass are important indicators, reflecting the current state of the coal body. The detection of surface cracks in the coal body plays an important role in coal mine safety monitoring. In this paper, a method for detecting the surface cracks of loaded coal by a vibration failure process is proposed based on the characteristics of the surface cracks of coal and support vector machine (SVM. A large number of cracked images are obtained by establishing a vibration-induced failure test system and industrial camera. Histogram equalization and a hysteresis threshold algorithm were used to reduce the noise and emphasize the crack; then, 600 images and regions, including cracks and non-cracks, were manually labelled. In the crack feature extraction stage, eight features of the cracks are extracted to distinguish cracks from other objects. Finally, a crack identification model with an accuracy over 95% was trained by inputting the labelled sample images into the SVM classifier. The experimental results show that the proposed algorithm has a higher accuracy than the conventional algorithm and can effectively identify cracks on the surface of the coal and rock mass automatically.

  13. Computing multiple periodic solutions of nonlinear vibration problems using the harmonic balance method and Groebner bases

    Science.gov (United States)

    Grolet, Aurelien; Thouverez, Fabrice

    2015-02-01

    This paper is devoted to the study of vibration of mechanical systems with geometric nonlinearities. The harmonic balance method is used to derive systems of polynomial equations whose solutions give the frequency component of the possible steady states. Groebner basis methods are used for computing all solutions of polynomial systems. This approach allows to reduce the complete system to an unique polynomial equation in one variable driving all solutions of the problem. In addition, in order to decrease the number of variables, we propose to first work on the undamped system, and recover solution of the damped system using a continuation on the damping parameter. The search for multiple solutions is illustrated on a simple system, where the influence of the retained number of harmonic is studied. Finally, the procedure is applied on a simple cyclic system and we give a representation of the multiple states versus frequency.

  14. Influence analysis of electronically and vibrationally excited particles on the ignition of methane and hydrogen under the conditions of a gas turbine engine

    Science.gov (United States)

    Deminskii, M. A.; Konina, K. M.; Potapkin, B. V.

    2018-03-01

    The vibronic and electronic energy relaxation phenomena in the specific conditions of a gas turbine engine were investigated in this paper. The plasma-chemical mechanism has been augmented with the results of recent investigations of the processes that involve electronically and vibrationally excited species. The updated mechanism was employed for the computer simulation of plasma-assisted combustion of hydrogen-air and methane-air mixtures under high pressure and in the range of initial temperatures T  =  500-900 K. The updated mechanism was verified using the experimental data. The influence of electronically excited nitrogen on the ignition delay time was analyzed. The rate coefficient of the vibration-vibration exchange between N2 and HO2 was calculated as well as the rate coefficient of HO2 decomposition.

  15. Vibrational excitation of methane by slow electrons revisited: theoretical and experimental study

    Czech Academy of Sciences Publication Activity Database

    Čurík, Roman; Čársky, Petr; Allan, M.

    2008-01-01

    Roč. 41, č. 11 (2008), 115203-1--7 ISSN 0953-4075 R&D Projects: GA MŠk ME 857; GA AV ČR IAA100400501; GA AV ČR 1ET400400413; GA AV ČR KJB400400803; GA ČR GA202/08/0631 Institutional research plan: CEZ:AV0Z40400503 Keywords : molecular calculation * vibrational excitation * methane Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.089, year: 2008

  16. APPLICATION OF THE SPECTRUM ANALYSIS WITH USING BERG METHOD TO DEVELOPED SPECIAL SOFTWARE TOOLS FOR OPTICAL VIBRATION DIAGNOSTICS SYSTEM

    Directory of Open Access Journals (Sweden)

    E. O. Zaitsev

    2016-01-01

    Full Text Available The objective of this paper is development and experimental verification special software of spectral analysis. Spectral analysis use of controlled vibrations objects. Spectral analysis of vibration based on use maximum-entropy autoregressive method of spectral analysis by the Berg algorithm. For measured signals use preliminary analysis based on regression analysis. This analysis of the signal enables to eliminate uninformative parameters such as – the noise and the trend. For preliminary analysis developed special software tools. Non-contact measurement of mechanical vibrations parameters rotating diffusely-reflecting surfaces used in circumstances where the use of contact sensors difficult or impossible for a number of reasons, including lack of access to the object, the small size of the controlled area controlled portion has a high temperature or is affected by strong electromagnetic fields. For control use offered laser measuring system. This measuring system overcomes the shortcomings interference or Doppler optical measuring systems. Such as measure the large amplitude and inharmonious vibration. On the basis of the proposed methods developed special software tools for use measuring laser system. LabVIEW using for developed special software. Experimental research of the proposed method of vibration signals processing is checked in the analysis of the diagnostic information obtained by measuring the vibration system grinding diamond wheel cold solid tungsten-containing alloy TK8. A result of work special software tools was complex spectrum obtained «purified» from non-informative parameters. Spectrum of the signal corresponding to the vibration process observed object. 

  17. Investigating the engine vibration in MF285 tractor effected by different blends of biodiesel fuel using statistical methods and ANFIS

    Directory of Open Access Journals (Sweden)

    A Safrangian

    2017-05-01

    Full Text Available Introduction Vibrations include a wide range of engineering sciences and discuss from different aspects. One of the aspects is related to various types of engines vibrations, which are often used as power sources in agriculture. The created vibrations can cause lack of comfort and reduce effective work and have bad influence on the health and safety. One of the important parameters of the diesel engine that has the ability to create vibration and knocking is the type of fuel. In this study, the effects of different blends of biodiesel, bioethanol and diesel on the engine vibration were investigated. As a result, a blend of fuels such as synthetic fuel that creates less vibration engine can be identified and introduced. Materials and Methods In this study, canola oil and methanol alcohol with purity of 99.99% and the molar ratio of 6:1 and sodium hydroxide catalyst with 1% by weight of oil were used for biodiesel production. Reactor configurations include: maintaining the temperature at 50 ° C, the reaction time of 5 minutes and the intensity of mixing (8000 rpm, and pump flow, 0.83 liters per minute. A Massey Ferguson (MF 285 tractor with single differential (2WD, built in 2012 at Tractor factory of Iran was used for the experiment. To measure the engine vibration signals, an oscillator with model of VM120 British MONITRAN was used. Vibration signals were measured at three levels of engine speed (2000, 1600, 1000 rpm in three directions (X, Y, Z. The analysis performed by two methods in this study: statistical data analysis and data analysis using Adaptive neuro-fuzzy inference system (ANFIS. Statistical analysis of data: a factorial experiment of 10×3 based on completely randomized design with three replications was used in each direction of X, Y and Z that conducted separately. Data were compiled and analyzed by SPSS 19 software. Ten levels of fuel were including of biodiesel (5, 15 and 25% and bioethanol (2, 4 and 6%, and diesel fuel. Data

  18. A reduced-scaling density matrix-based method for the computation of the vibrational Hessian matrix at the self-consistent field level

    International Nuclear Information System (INIS)

    Kussmann, Jörg; Luenser, Arne; Beer, Matthias; Ochsenfeld, Christian

    2015-01-01

    An analytical method to calculate the molecular vibrational Hessian matrix at the self-consistent field level is presented. By analysis of the multipole expansions of the relevant derivatives of Coulomb-type two-electron integral contractions, we show that the effect of the perturbation on the electronic structure due to the displacement of nuclei decays at least as r −2 instead of r −1 . The perturbation is asymptotically local, and the computation of the Hessian matrix can, in principle, be performed with O(N) complexity. Our implementation exhibits linear scaling in all time-determining steps, with some rapid but quadratic-complexity steps remaining. Sample calculations illustrate linear or near-linear scaling in the construction of the complete nuclear Hessian matrix for sparse systems. For more demanding systems, scaling is still considerably sub-quadratic to quadratic, depending on the density of the underlying electronic structure

  19. Gray bootstrap method for estimating frequency-varying random vibration signals with small samples

    Directory of Open Access Journals (Sweden)

    Wang Yanqing

    2014-04-01

    Full Text Available During environment testing, the estimation of random vibration signals (RVS is an important technique for the airborne platform safety and reliability. However, the available methods including extreme value envelope method (EVEM, statistical tolerances method (STM and improved statistical tolerance method (ISTM require large samples and typical probability distribution. Moreover, the frequency-varying characteristic of RVS is usually not taken into account. Gray bootstrap method (GBM is proposed to solve the problem of estimating frequency-varying RVS with small samples. Firstly, the estimated indexes are obtained including the estimated interval, the estimated uncertainty, the estimated value, the estimated error and estimated reliability. In addition, GBM is applied to estimating the single flight testing of certain aircraft. At last, in order to evaluate the estimated performance, GBM is compared with bootstrap method (BM and gray method (GM in testing analysis. The result shows that GBM has superiority for estimating dynamic signals with small samples and estimated reliability is proved to be 100% at the given confidence level.

  20. 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.

  1. Free Vibration Characteristics of Cylindrical Shells Using a Wave Propagation Method

    Directory of Open Access Journals (Sweden)

    A. Ghoshal

    2001-01-01

    Full Text Available In the present paper, concept of a periodic structure is used to study the characteristics of the natural frequencies of a complete unstiffened cylindrical shell. A segment of the shell between two consecutive nodal points is chosen to be a periodic structural element. The present effort is to modify Mead and Bardell's approach to study the free vibration characteristics of unstiffened cylindrical shell. The Love-Timoshenko formulation for the strain energy is used in conjunction with Hamilton's principle to compute the natural propagation constants for two shell geometries and different circumferential nodal patterns employing Floquet's principle. The natural frequencies were obtained using Sengupta's method and were compared with those obtained from classical Arnold-Warburton's method. The results from the wave propagation method were found to compare identically with the classical methods, since both the methods lead to the exact solution of the same problem. Thus consideration of the shell segment between two consecutive nodal points as a periodic structure is validated. The variations of the phase constants at the lower bounding frequency for the first propagation band for different nodal patterns have been computed. The method is highly computationally efficient.

  2. Reduction method for residual stress of welded joint using harmonic vibrational load

    International Nuclear Information System (INIS)

    Aoki, Shigeru; Nishimura, Tadashi; Hiroi, Tetsumaro; Hirai, Seiji

    2007-01-01

    Welding is widely used for construction of many structures. Since welding is a process using locally given heat, residual stress is generated near the bead. Tensile residual stress degrades fatigue strength. Some reduction methods of residual stress have been presented and, for example, heat treatment and shot peening are practically used. However, those methods need special tools and are time consuming. In this paper, a new method for reduction of residual stress using harmonic vibrational load during welding is proposed. The proposed method is examined experimentally for some conditions. Two thin plates are supported on the supporting device and butt-welded using an automatic CO 2 gas shielded arc welding machine. Residual stress in the direction of the bead is measured by using a paralleled beam X-ray diffractometer with scintillation counter after removing quenched scale chemically. First, the welding of rolled steel for general structure for some excitation frequencies is examined. Specimens are welded along the groove on both sides. For all frequencies, tensile residual stress near the bead is significantly reduced. Second, welding of the specimen made of high tensile strength steel is examined. In this case, tensile residual stress near the bead is also reduced. Finally, the proposed method is examined by an analytical method. An analytical model which consists of mass and preloaded springs with elasto-plastic characteristic is used. Reduction of residual stress is demonstrated using this model

  3. A multi-dimensional Smolyak collocation method in curvilinear coordinates for computing vibrational spectra

    International Nuclear Information System (INIS)

    Avila, Gustavo; Carrington, Tucker

    2015-01-01

    In this paper, we improve the collocation method for computing vibrational spectra that was presented in Avila and Carrington, Jr. [J. Chem. Phys. 139, 134114 (2013)]. Using an iterative eigensolver, energy levels and wavefunctions are determined from values of the potential on a Smolyak grid. The kinetic energy matrix-vector product is evaluated by transforming a vector labelled with (nondirect product) grid indices to a vector labelled by (nondirect product) basis indices. Both the transformation and application of the kinetic energy operator (KEO) scale favorably. Collocation facilitates dealing with complicated KEOs because it obviates the need to calculate integrals of coordinate dependent coefficients of differential operators. The ideas are tested by computing energy levels of HONO using a KEO in bond coordinates

  4. Approximations to the Probability of Failure in Random Vibration by Integral Equation Methods

    DEFF Research Database (Denmark)

    Nielsen, Søren R.K.; Sørensen, John Dalsgaard

    Close approximations to the first passage probability of failure in random vibration can be obtained by integral equation methods. A simple relation exists between the first passage probability density function and the distribution function for the time interval spent below a barrier before...... passage probability density. The results of the theory agree well with simulation results for narrow banded processes dominated by a single frequency, as well as for bimodal processes with 2 dominating frequencies in the structural response....... outcrossing. An integral equation for the probability density function of the time interval is formulated, and adequate approximations for the kernel are suggested. The kernel approximation results in approximate solutions for the probability density function of the time interval, and hence for the first...

  5. Static and Vibrational Analysis of Partially Composite Beams Using the Weak-Form Quadrature Element Method

    Directory of Open Access Journals (Sweden)

    Zhiqiang Shen

    2012-01-01

    Full Text Available Deformation of partially composite beams under distributed loading and free vibrations of partially composite beams under various boundary conditions are examined in this paper. The weak-form quadrature element method, which is characterized by direct evaluation of the integrals involved in the variational description of a problem, is used. One quadrature element is normally sufficient for a partially composite beam regardless of the magnitude of the shear connection stiffness. The number of integration points in a quadrature element is adjustable in accordance with convergence requirement. Results are compared with those of various finite element formulations. It is shown that the weak form quadrature element solution for partially composite beams is free of slip locking, and high computational accuracy is achieved with smaller number of degrees of freedom. Besides, it is found that longitudinal inertia of motion cannot be simply neglected in assessment of dynamic behavior of partially composite beams.

  6. Sanitation methods using high energy electron beams

    International Nuclear Information System (INIS)

    Levaillant, C.; Gallien, C.L.

    1979-01-01

    Short recycling of waste water and the use of liquid or dehydrated sludge as natural manure for agriculture or animal supplement feed is of great economical and ecological interest. It implies strong biological and chemical disinfection. Ionizing radiations produced by radioactive elements or linear accelerators can be used as a complement of conventional methods in the treatment of liquid and solid waste. An experiment conducted with high-energy electron-beam linear accelerators is presented. Degradation of undesirable metabolites in water occurs for a dose of 50 kRad. Undesirable seeds present in sludge are destroyed with a 200 kRad dose. A 300 kRad dose is sufficient for parasitic and bacterial disinfection (DL 90). Destruction of polio virus (DL 90) is obtained for 400 kRad. Higher doses (1000 to 2000 kRad) produce mineralization of toxic organic mercury, reduce some chemical toxic pollutants present in sludge and improve flocculation. (author)

  7. A new efficient method for the calculation of interior eigenpairs and its application to vibrational structure problems

    Science.gov (United States)

    Petrenko, Taras; Rauhut, Guntram

    2017-03-01

    Vibrational configuration interaction theory is a common method for calculating vibrational levels and associated IR and Raman spectra of small and medium-sized molecules. When combined with appropriate configuration selection procedures, the method allows the treatment of configuration spaces with up to 1010 configurations. In general, this approach pursues the construction of the eigenstates with significant contributions of physically relevant configurations. The corresponding eigenfunctions are evaluated in the subspace of selected configurations. However, it can easily reach the dimension which is not tractable for conventional eigenvalue solvers. Although Davidson and Lanczos methods are the methods of choice for calculating exterior eigenvalues, they usually fall into stagnation when applied to interior states. The latter are commonly treated by the Jacobi-Davidson method. This approach in conjunction with matrix factorization for solving the correction equation (CE) is prohibitive for larger problems, and it has limited efficiency if the solution of the CE is based on Krylov's subspace algorithms. We propose an iterative subspace method that targets the eigenvectors with significant contributions to a given reference vector and is based on the optimality condition for the residual norm corresponding to the error in the solution vector. The subspace extraction and expansion are modified according to these principles which allow very efficient calculation of interior vibrational states with a strong multireference character in different vibrational structure problems. The convergence behavior of the method and its performance in comparison with the aforementioned algorithms are investigated in a set of benchmark calculations.

  8. Estimation of physical properties of laminated composites via the method of inverse vibration problem

    Energy Technology Data Exchange (ETDEWEB)

    Balci, Murat [Dept. of Mechanical Engineering, Bayburt University, Bayburt (Turkmenistan); Gundogdu, Omer [Dept. of Mechanical Engineering, Ataturk University, Erzurum (Turkmenistan)

    2017-01-15

    In this study, estimation of some physical properties of a laminated composite plate was conducted via the inverse vibration problem. Laminated composite plate was modelled and simulated to obtain vibration responses for different length-to-thickness ratio in ANSYS. Furthermore, a numerical finite element model was developed for the laminated composite utilizing the Kirchhoff plate theory and programmed in MATLAB for simulations. Optimizing the difference between these two vibration responses, inverse vibration problem was solved to obtain some of the physical properties of the laminated composite using genetic algorithms. The estimated parameters are compared with the theoretical results, and a very good correspondence was observed.

  9. Estimation of physical properties of laminated composites via the method of inverse vibration problem

    International Nuclear Information System (INIS)

    Balci, Murat; Gundogdu, Omer

    2017-01-01

    In this study, estimation of some physical properties of a laminated composite plate was conducted via the inverse vibration problem. Laminated composite plate was modelled and simulated to obtain vibration responses for different length-to-thickness ratio in ANSYS. Furthermore, a numerical finite element model was developed for the laminated composite utilizing the Kirchhoff plate theory and programmed in MATLAB for simulations. Optimizing the difference between these two vibration responses, inverse vibration problem was solved to obtain some of the physical properties of the laminated composite using genetic algorithms. The estimated parameters are compared with the theoretical results, and a very good correspondence was observed

  10. State-to-state time-of-flight measurements of NO scattering from Au(111): direct observation of translation-to-vibration coupling in electronically nonadiabatic energy transfer.

    Science.gov (United States)

    Golibrzuch, Kai; Shirhatti, Pranav R; Altschäffel, Jan; Rahinov, Igor; Auerbach, Daniel J; Wodtke, Alec M; Bartels, Christof

    2013-09-12

    Translational motion is believed to be a spectator degree of freedom in electronically nonadiabatic vibrational energy transfer between molecules and metal surfaces, but the experimental evidence available to support this view is limited. In this work, we have experimentally determined the translational inelasticity in collisions of NO molecules with a single-crystal Au(111) surface-a system with strong electronic nonadiabaticity. State-to-state molecular beam surface scattering was combined with an IR-UV double resonance scheme to obtain high-resolution time-of-flight data. The measurements include vibrationally elastic collisions (v = 3→3, 2→2) as well as collisions where one or two quanta of molecular vibration are excited (2→3, 2→4) or de-excited (2→1, 3→2, 3→1). In addition, we have carried out comprehensive measurements of the effects of rotational excitation on the translational energy of the scattered molecules. We find that under all conditions of this work, the NO molecules lose a large fraction (∼0.45) of their incidence translational energy to the surface. Those molecules that undergo vibrational excitation (relaxation) during the collision recoil slightly slower (faster) than vibrationally elastically scattered molecules. The amount of translational energy change depends on the surface temperature. The translation-to-rotation coupling, which is well-known for v = 0→0 collisions, is found to be significantly weaker for vibrationally inelastic than elastic channels. Our results clearly show that the spectator view of the translational motion in electronically nonadiabatic vibrational energy transfer between NO and Au(111) is only approximately correct.

  11. An inverse method for the identification of a distributed random excitation acting on a vibrating structure. Theory

    International Nuclear Information System (INIS)

    Granger, S.; Perotin, L.

    1997-01-01

    Maintaining the PWR components under reliable operating conditions requires a complex design to prevent various damaging processes, including fatigue and wear problems due to flow-induced vibration. In many practical situations, it is difficult, if not impossible, to perform direct measurements or calculations of the external forces acting on vibrating structures. Instead, vibrational responses can often be conveniently measured. This paper presents an inverse method for estimating a distributed random excitation from the measurement of the structural response at a number of discrete points. This paper is devoted to the presentation of the theoretical development. The force identification method is based on a modal model for the structure and a spatial orthonormal decomposition of the excitation field. The estimation of the Fourier coefficients of this orthonormal expansion is presented. As this problem turns out to be ill-posed, a regularization process is introduced. The minimization problem associated to this process is then formulated and its solutions is developed. (author)

  12. Expanded beam deflection method for simultaneous measurement of displacement and vibrations of multiple microcantilevers

    International Nuclear Information System (INIS)

    Nieradka, K.; MaloziePc, G.; Kopiec, D.; Gotszalk, T.; Grabiec, P.; Janus, P.; Sierakowski, A.

    2011-01-01

    Here we present an extension of optical beam deflection (OBD) method for measuring displacement and vibrations of an array of microcantilevers. Instead of focusing on the cantilever, the optical beam is either focused above or below the cantilever array, or focused only in the axis parallel to the cantilevers length, allowing a wide optical line to span multiple cantilevers in the array. Each cantilever reflects a part of the incident beam, which is then directed onto a photodiode array detector in a manner allowing distinguishing between individual beams. Each part of reflected beam behaves like a single beam of roughly the same divergence angle in the bending sensing axis as the incident beam. Since sensitivity of the OBD method depends on the divergence angle of deflected beam, high sensitivity is preserved in proposed expanded beam deflection (EBD) method. At the detector, each spot's position is measured at the same time, without time multiplexing of light sources. This provides real simultaneous readout of entire array, unavailable in most of competitive methods, and thus increases time resolution of the measurement. Expanded beam can also span another line of cantilevers allowing monitoring of specially designed two-dimensional arrays. In this paper, we present first results of application of EBD method to cantilever sensors. We show how thermal noise resolution can be easily achieved and combined with thermal noise based resonance frequency measurement.

  13. ANALYSIS OF METHODS PROVIDING ACCURACY FOR TOOLS AND TECHNIQUES VIBRATION MEASUREMENT IN THE PROCESS OF MAINTAINING AIRWORTHINESS OF AIRCRAFT

    Directory of Open Access Journals (Sweden)

    Anatoliy Alexandrovich Bogoyavlenskiy

    2017-01-01

    Full Text Available On the basis of system approach the structure of the aviation activity areas on air transport related to monitoring and measurements of vibration parameters is presented.The technology analysis of laboratory tests of the onboard equipment control of vibration parameters is carried out. The issues related to ensuring the unity of measurements of vibration parameters are researched and summarized.While dealing with the works on metrological certification described in the article, the risks arising from aviation activity on air transport are taken into account. The certification methods of measuring channels of vibration parametersused on stands for testing GTE at the repairing of aircraft engines are developed. The methods are implemented when con- ducting initial and periodic certifications of test benches for twelve types of aircraft GTE in repair organizations. The reliability of the results of the conducted research due to the fact that they were carried out with the use of certified measure- ment equipment, included in the State register of measuring instruments. The research is conducted for a sufficiently high statistical confidence level with the boundaries 0.95. The studies have shown that running on air transport measurements of vibration parameters are metrologically se- cured, the unity of measurements and their traceability from the national primary reference to special measuring instru- ments, test equipment, and onboard controls of the aircraft is maintained.

  14. Control method for multi-input multi-output non-Gaussian random vibration test with cross spectra consideration

    Directory of Open Access Journals (Sweden)

    Ronghui ZHENG

    2017-12-01

    Full Text Available A control method for Multi-Input Multi-Output (MIMO non-Gaussian random vibration test with cross spectra consideration is proposed in the paper. The aim of the proposed control method is to replicate the specified references composed of auto spectral densities, cross spectral densities and kurtoses on the test article in the laboratory. It is found that the cross spectral densities will bring intractable coupling problems and induce difficulty for the control of the multi-output kurtoses. Hence, a sequential phase modification method is put forward to solve the coupling problems in multi-input multi-output non-Gaussian random vibration test. To achieve the specified responses, an improved zero memory nonlinear transformation is utilized first to modify the Fourier phases of the signals with sequential phase modification method to obtain one frame reference response signals which satisfy the reference spectra and reference kurtoses. Then, an inverse system method is used in frequency domain to obtain the continuous stationary drive signals. At the same time, the matrix power control algorithm is utilized to control the spectra and kurtoses of the response signals further. At the end of the paper, a simulation example with a cantilever beam and a vibration shaker test are implemented and the results support the proposed method very well. Keywords: Cross spectra, Kurtosis control, Multi-input multi-output, Non-Gaussian, Random vibration test

  15. Influence of lattice vibrations on the field driven electronic transport in chains with correlated disorder

    Science.gov (United States)

    da Silva, L. D.; Sales, M. O.; Ranciaro Neto, A.; Lyra, M. L.; de Moura, F. A. B. F.

    2016-12-01

    We investigate electronic transport in a one-dimensional model with four different types of atoms and long-ranged correlated disorder. The latter was attained by choosing an adequate distribution of on-site energies. The wave-packet dynamics is followed by taking into account effects due to a static electric field and electron-phonon coupling. In the absence of electron-phonon coupling, the competition between correlated disorder and the static electric field promotes the occurrence of wave-packet oscillations in the regime of strong correlations. When the electron-lattice coupling is switched on, phonon scattering degrades the Bloch oscillations. For weak electron-phonon couplings, a coherent oscillatory-like dynamics of the wave-packet centroid persists for short periods of time. For strong couplings the wave-packet acquires a diffusive-like displacement and spreading. A slower sub-diffusive spreading takes place in the regime of weak correlations.

  16. Vibrational spectra (FT-IR, FT-Raman), frontier molecular orbital, first hyperpolarizability, NBO analysis and thermodynamics properties of Piroxicam by HF and DFT methods

    Science.gov (United States)

    Suresh, S.; Gunasekaran, S.; Srinivasan, S.

    2015-03-01

    The solid phase FT-IR and FT-Raman spectra of 4-Hydroxy-2-methyl-N-(2-pyridinyl)-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide (Piroxicam) have been recorded in the region 4000-400 and 4000-100 cm-1 respectively. The molecular geometry, harmonic vibrational frequencies and bonding features of piroxicam in the ground state have been calculated by Hartree-Fock (HF) and density functional theory (DFT) methods using 6-311++G(d,p) basis set. The calculated harmonic vibrational frequencies are scaled and they are compared with experimental obtained by FT-IR and FT-Raman spectra. A detailed interpretation of the vibrational spectra of the title compound has been made on the basis of the calculated potential energy distribution (PED). The electronic properties, such as HOMO and LUMO energies, molecular electrostatic potential (MESP) are also performed. The linear polarizability (α) and the first order hyper polarizability (β) values of the title compound have been computed. The molecular stability arising from hyper conjugative interaction, charge delocalization has been analyzed using natural bond orbital (NBO) analysis.

  17. Fuzzy norm method for evaluating random vibration of airborne platform from limited PSD data

    Directory of Open Access Journals (Sweden)

    Wang Zhongyu

    2014-12-01

    Full Text Available For random vibration of airborne platform, the accurate evaluation is a key indicator to ensure normal operation of airborne equipment in flight. However, only limited power spectral density (PSD data can be obtained at the stage of flight test. Thus, those conventional evaluation methods cannot be employed when the distribution characteristics and priori information are unknown. In this paper, the fuzzy norm method (FNM is proposed which combines the advantages of fuzzy theory and norm theory. The proposed method can deeply dig system information from limited data, which probability distribution is not taken into account. Firstly, the FNM is employed to evaluate variable interval and expanded uncertainty from limited PSD data, and the performance of FNM is demonstrated by confidence level, reliability and computing accuracy of expanded uncertainty. In addition, the optimal fuzzy parameters are discussed to meet the requirements of aviation standards and metrological practice. Finally, computer simulation is used to prove the adaptability of FNM. Compared with statistical methods, FNM has superiority for evaluating expanded uncertainty from limited data. The results show that the reliability of calculation and evaluation is superior to 95%.

  18. Vibration-Based Adaptive Novelty Detection Method for Monitoring Faults in a Kinematic Chain

    Directory of Open Access Journals (Sweden)

    Jesus Adolfo Cariño-Corrales

    2016-01-01

    Full Text Available This paper presents an adaptive novelty detection methodology applied to a kinematic chain for the monitoring of faults. The proposed approach has the premise that only information of the healthy operation of the machine is initially available and fault scenarios will eventually develop. This approach aims to cover some of the challenges presented when condition monitoring is applied under a continuous learning framework. The structure of the method is divided into two recursive stages: first, an offline stage for initialization and retraining of the feature reduction and novelty detection modules and, second, an online monitoring stage to continuously assess the condition of the machine. Contrary to classical static feature reduction approaches, the proposed method reformulates the features by employing first a Laplacian Score ranking and then the Fisher Score ranking for retraining. The proposed methodology is validated experimentally by monitoring the vibration measurements of a kinematic chain driven by an induction motor. Two faults are induced in the motor to validate the method performance to detect anomalies and adapt the feature reduction and novelty detection modules to the new information. The obtained results show the advantages of employing an adaptive approach for novelty detection and feature reduction making the proposed method suitable for industrial machinery diagnosis applications.

  19. Electronic [UV-Visible] and vibrational [FT-IR, FT-Raman] investigation and NMR-mass spectroscopic analysis of terephthalic acid using quantum Gaussian calculations

    Science.gov (United States)

    Karthikeyan, N.; Joseph Prince, J.; Ramalingam, S.; Periandy, S.

    2015-03-01

    In this research work, the vibrational IR, polarization Raman, NMR and mass spectra of terephthalic acid (TA) were recorded. The observed fundamental peaks (IR, Raman) were assigned according to their distinctiveness region. The hybrid computational calculations were carried out for calculating geometrical and vibrational parameters by DFT (B3LYP and B3PW91) methods with 6-31++G(d,p) and 6-311++G(d,p) basis sets and the corresponding results were tabulated. The molecular mass spectral data related to base molecule and substitutional group of the compound was analyzed. The modification of the chemical property by the reaction mechanism of the injection of dicarboxylic group in the base molecule was investigated. The 13C and 1H NMR spectra were simulated by using the gauge independent atomic orbital (GIAO) method and the absolute chemical shifts related to TMS were compared with experimental spectra. The study on the electronic and optical properties; absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies, were performed by hybrid Gaussian calculation methods. The orbital energies of different levels of HOMO and LUMO were calculated and the molecular orbital lobe overlapping showed the inter charge transformation between the base molecule and ligand group. From the frontier molecular orbitals (FMO), the possibility of electrophilic and nucleophilic hit also analyzed. The NLO activity of the title compound related to Polarizability and hyperpolarizability were also discussed. The present molecule was fragmented with respect to atomic mass and the mass variation depends on the substitutions have also been studied.

  20. Electronic [UV-Visible] and vibrational [FT-IR, FT-Raman] investigation and NMR-mass spectroscopic analysis of terephthalic acid using quantum Gaussian calculations.

    Science.gov (United States)

    Karthikeyan, N; Prince, J Joseph; Ramalingam, S; Periandy, S

    2015-03-15

    In this research work, the vibrational IR, polarization Raman, NMR and mass spectra of terephthalic acid (TA) were recorded. The observed fundamental peaks (IR, Raman) were assigned according to their distinctiveness region. The hybrid computational calculations were carried out for calculating geometrical and vibrational parameters by DFT (B3LYP and B3PW91) methods with 6-31++G(d,p) and 6-311++G(d,p) basis sets and the corresponding results were tabulated. The molecular mass spectral data related to base molecule and substitutional group of the compound was analyzed. The modification of the chemical property by the reaction mechanism of the injection of dicarboxylic group in the base molecule was investigated. The (13)C and (1)H NMR spectra were simulated by using the gauge independent atomic orbital (GIAO) method and the absolute chemical shifts related to TMS were compared with experimental spectra. The study on the electronic and optical properties; absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies, were performed by hybrid Gaussian calculation methods. The orbital energies of different levels of HOMO and LUMO were calculated and the molecular orbital lobe overlapping showed the inter charge transformation between the base molecule and ligand group. From the frontier molecular orbitals (FMO), the possibility of electrophilic and nucleophilic hit also analyzed. The NLO activity of the title compound related to Polarizability and hyperpolarizability were also discussed. The present molecule was fragmented with respect to atomic mass and the mass variation depends on the substitutions have also been studied. Crown Copyright © 2014. Published by Elsevier B.V. All rights reserved.

  1. Electronic device and method of manufacturing an electronic device

    NARCIS (Netherlands)

    2009-01-01

    An electronic device comprising at least one die stack having at least a first die (D1) comprising a first array of light emitting units (OLED) for emitting light, a second layer (D2) comprising a second array of via holes (VH) and a third die (D3) comprising a third array of light detecting units

  2. Electronic structure and vibrational properties of KRbAl{sub 2}B{sub 2}O{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Atuchin, V.V. [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Adichtchev, S.V. [Laboratory of Condensed Matter Spectroscopy, Institute of Automation and Electrometry, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Bazarov, B.G.; Bazarova, Zh.G. [Laboratory of Oxide Systems, Baikal Institute of Nature Management, SB RAS, Ulan-Ude 47, 670047 (Russian Federation); Gavrilova, T.A. [Laboratory of Nanodiagnostics and Nanolithography, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090 (Russian Federation); Grossman, V.G. [Laboratory of Oxide Systems, Baikal Institute of Nature Management, SB RAS, Ulan-Ude 47, 670047 (Russian Federation); Kesler, V.G. [Laboratory of Physical Principles for Integrated Microelectronics, Institute of Semiconductor Physics, Novosibirsk, 630090 (Russian Federation); Meng, G.S. [Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, P.O. Box 2711, Beijing 100190 (China); Key Laboratory of Quantum Information, University of Science and Technology of China, Chinese Academy of Sciences, Hefei, Anhui 230026 (China); Lin, Z.S., E-mail: zslin@mail.ipc.ac.cn [Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, P.O. Box 2711, Beijing 100190 (China); Surovtsev, N.V. [Laboratory of Condensed Matter Spectroscopy, Institute of Automation and Electrometry, SB RAS, Novosibirsk 90, 630090 (Russian Federation)

    2013-03-15

    Graphical abstract: With the KRbAl{sub 2}B{sub 2}O{sub 7} powder formed by solid state synthesis (left), Raman spectrum (right upper) and XPS valence electronic states (right lower) were measured, agreed with the first-principles results. Highlights: ► KRbAl{sub 2}B{sub 2}O{sub 7} powder was obtained by solid state synthesis. ► Vibrational properties of KRbAl{sub 2}B{sub 2}O{sub 7} were determined by unpolarized Raman spectrum. ► Electronic structures of KRbAl{sub 2}B{sub 2}O{sub 7} were measured by XPS. ► Experimental electronic structure is consistent with the first-principles result. ► KRbAl{sub 2}B{sub 2}O{sub 7} has a noticeable refractive indices increase and small NLO effects decrease compared to K{sub 2}Al{sub 2}B{sub 2}O{sub 7}. - Abstract: The physical properties of KRbAl{sub 2}B{sub 2}O{sub 7} have been considered in comparison with those of K{sub 2}Al{sub 2}B{sub 2}O{sub 7} and Rb{sub 2}Al{sub 2}B{sub 2}O{sub 7}. The vibrational parameters of KRbAl{sub 2}B{sub 2}O{sub 7} have been measured by Raman spectroscopy as very similar to those of K{sub 2}Al{sub 2}B{sub 2}O{sub 7}. The electronic structures of KRbAl{sub 2}B{sub 2}O{sub 7} have been evaluated by X-ray photoelectron spectroscopy and ab initio computations using CASTEP package. A noticeable refractive indices increase and small decrease of nonlinear optical properties have been found in KRbAl{sub 2}B{sub 2}O{sub 7} in reference to optical parameters of K{sub 2}Al{sub 2}B{sub 2}O{sub 7}.

  3. Method for Vibration Response Simulation and Sensor Placement Optimization of a Machine Tool Spindle System with a Bearing Defect

    Science.gov (United States)

    Cao, Hongrui; Niu, Linkai; He, Zhengjia

    2012-01-01

    Bearing defects are one of the most important mechanical sources for vibration and noise generation in machine tool spindles. In this study, an integrated finite element (FE) model is proposed to predict the vibration responses of a spindle bearing system with localized bearing defects and then the sensor placement for better detection of bearing faults is optimized. A nonlinear bearing model is developed based on Jones' bearing theory, while the drawbar, shaft and housing are modeled as Timoshenko's beam. The bearing model is then integrated into the FE model of drawbar/shaft/housing by assembling equations of motion. The Newmark time integration method is used to solve the vibration responses numerically. The FE model of the spindle-bearing system was verified by conducting dynamic tests. Then, the localized bearing defects were modeled and vibration responses generated by the outer ring defect were simulated as an illustration. The optimization scheme of the sensor placement was carried out on the test spindle. The results proved that, the optimal sensor placement depends on the vibration modes under different boundary conditions and the transfer path between the excitation and the response. PMID:23012514

  4. Analytical and molecular dynamical investigations of the influence of molecular vibrations upon the (e,2e) electron momentum distributions of furan

    International Nuclear Information System (INIS)

    Morini, F; Deleuze, M S; Watanabe, N; Takahashi, M

    2015-01-01

    The role of molecular vibrations has been theoretically investigated in the electronic ground state on the (e, 2e) valence orbital momentum profiles of furan by means of two complementary approaches. The first one relies upon the principles of Born-Oppenheimer Molecular Dynamics (BOMD), whereas the second one, referred as Harmonic Analytical Quantum Mechanical (HAQM) approach, includes on quantum-mechanical (paper)

  5. Multi-sensor information fusion method for vibration fault diagnosis of rolling bearing

    Science.gov (United States)

    Jiao, Jing; Yue, Jianhai; Pei, Di

    2017-10-01

    Bearing is a key element in high-speed electric multiple unit (EMU) and any defect of it can cause huge malfunctioning of EMU under high operation speed. This paper presents a new method for bearing fault diagnosis based on least square support vector machine (LS-SVM) in feature-level fusion and Dempster-Shafer (D-S) evidence theory in decision-level fusion which were used to solve the problems about low detection accuracy, difficulty in extracting sensitive characteristics and unstable diagnosis system of single-sensor in rolling bearing fault diagnosis. Wavelet de-nosing technique was used for removing the signal noises. LS-SVM was used to make pattern recognition of the bearing vibration signal, and then fusion process was made according to the D-S evidence theory, so as to realize recognition of bearing fault. The results indicated that the data fusion method improved the performance of the intelligent approach in rolling bearing fault detection significantly. Moreover, the results showed that this method can efficiently improve the accuracy of fault diagnosis.

  6. The NASA/industry Design Analysis Methods for Vibrations (DAMVIBS) program: McDonnell-Douglas Helicopter Company achievements

    Science.gov (United States)

    Toossi, Mostafa; Weisenburger, Richard; Hashemi-Kia, Mostafa

    1993-01-01

    This paper presents a summary of some of the work performed by McDonnell Douglas Helicopter Company under NASA Langley-sponsored rotorcraft structural dynamics program known as DAMVIBS (Design Analysis Methods for VIBrationS). A set of guidelines which is applicable to dynamic modeling, analysis, testing, and correlation of both helicopter airframes and a large variety of structural finite element models is presented. Utilization of these guidelines and the key features of their applications to vibration modeling of helicopter airframes are discussed. Correlation studies with the test data, together with the development and applications of a set of efficient finite element model checkout procedures, are demonstrated on a large helicopter airframe finite element model. Finally, the lessons learned and the benefits resulting from this program are summarized.

  7. Non-stationary random vibration analysis of a 3D train-bridge system using the probability density evolution method

    Science.gov (United States)

    Yu, Zhi-wu; Mao, Jian-feng; Guo, Feng-qi; Guo, Wei

    2016-03-01

    Rail irregularity is one of the main sources causing train-bridge random vibration. A new random vibration theory for the coupled train-bridge systems is proposed in this paper. First, number theory method (NTM) with 2N-dimensional vectors for the stochastic harmonic function (SHF) of rail irregularity power spectrum density was adopted to determine the representative points of spatial frequencies and phases to generate the random rail irregularity samples, and the non-stationary rail irregularity samples were modulated with the slowly varying function. Second, the probability density evolution method (PDEM) was employed to calculate the random dynamic vibration of the three-dimensional (3D) train-bridge system by a program compiled on the MATLAB® software platform. Eventually, the Newmark-β integration method and double edge difference method of total variation diminishing (TVD) format were adopted to obtain the mean value curve, the standard deviation curve and the time-history probability density information of responses. A case study was presented in which the ICE-3 train travels on a three-span simply-supported high-speed railway bridge with excitation of random rail irregularity. The results showed that compared to the Monte Carlo simulation, the PDEM has higher computational efficiency for the same accuracy, i.e., an improvement by 1-2 orders of magnitude. Additionally, the influences of rail irregularity and train speed on the random vibration of the coupled train-bridge system were discussed.

  8. [SciELO: method for electronic publishing].

    Science.gov (United States)

    Laerte Packer, A; Rocha Biojone, M; Antonio, I; Mayumi Takemaka, R; Pedroso García, A; Costa da Silva, A; Toshiyuki Murasaki, R; Mylek, C; Carvalho Reisl, O; Rocha F Delbucio, H C

    2001-01-01

    It describes the SciELO Methodology Scientific Electronic Library Online for electronic publishing of scientific periodicals, examining issues such as the transition from traditional printed publication to electronic publishing, the scientific communication process, the principles which founded the methodology development, its application in the building of the SciELO site, its modules and components, the tools use for its construction etc. The article also discusses the potentialities and trends for the area in Brazil and Latin America, pointing out questions and proposals which should be investigated and solved by the methodology. It concludes that the SciELO Methodology is an efficient, flexible and wide solution for the scientific electronic publishing.

  9. Quantitative assessment of corneal vibrations during intraocular pressure measurement with the air-puff method in patients with keratoconus.

    Science.gov (United States)

    Koprowski, Robert; Ambrósio, Renato

    2015-11-01

    One of the current methods for measuring intraocular pressure is the air-puff method. A tonometer which uses this method is the Corvis device. With the ultra-high-speed (UHS) Scheimpflug camera, it is also possible to observe corneal deformation during measurement. The use of modern image analysis and processing methods allows for analysis of higher harmonics of corneal deflection above 100 Hz. 493 eyes of healthy subjects and 279 eyes of patients with keratoconus were used in the measurements. For each eye, 140 corneal deformation images were recorded during intraocular pressure measurement. Each image was recorded every 230 µs and had a resolution of 200 × 576 pixels. A new, original algorithm for image analysis and processing has been proposed. It enables to separate the eyeball reaction as well as low-frequency and high-frequency corneal deformations from the eye response to an air puff. Furthermore, a method for classification of healthy subjects and patients with keratoconus based on decision trees has been proposed. The obtained results confirm the possibility to distinguish between patients with keratoconus and healthy subjects. The features used in this classification are directly related to corneal vibrations. They are only available in the proposed software and provide specificity of 98%, sensitivity-85%, and accuracy-92%. This confirms the usefulness of the proposed method in this type of classification that uses corneal vibrations during intraocular pressure measurement with the Corvis tonometer. With the new proposed algorithm for image analysis and processing allowing for the separation of individual features from a corneal deformation image, it is possible to: automatically measure corneal vibrations in a few characteristic points of the cornea, obtain fully repeatable measurement of vibrations for the same registered sequence of images and measure vibration parameters for large inter-individual variability in patients. Copyright © 2015 Elsevier

  10. The synthesis method for design of electron flow sources

    Science.gov (United States)

    Alexahin, Yu I.; Molodozhenzev, A. Yu

    1997-01-01

    The synthesis method to design a relativistic magnetically - focused beam source is described in this paper. It allows to find a shape of electrodes necessary to produce laminar space charge flows. Electron guns with shielded cathodes designed with this method were analyzed using the EGUN code. The obtained results have shown the coincidence of the synthesis and analysis calculations [1]. This method of electron gun calculation may be applied for immersed electron flows - of interest for the EBIS electron gun design.

  11. Structural and vibrational spectral investigations of melaminium glutarate monohydrate by FTIR, FT-Raman and DFT methods

    Science.gov (United States)

    Arjunan, V.; Marchewka, M. K.; Raj, Arushma; Yang, Haifeng; Mohan, S.

    2015-01-01

    Melaminium glutarate monohydrate has been synthesised and FTIR and FT-Raman spectral investigations are carried out. The molecular geometry and vibrational frequencies of melaminium glutarate monohydrate in the ground state have been determined by using B3LYP method with 6-31++G**, 6-31++G and cc-pVDZ basis sets. The stability of the system, inter molecular hydrogen bonding and the electron donor-acceptor interactions of the complex have been investigated by using natural bonding orbital analysis. It reveals that the Nsbnd H⋯O and Osbnd H⋯O intermolecular interactions significantly influence crystal packing of this molecular complex. The glutarate anion forms hydrogen bonds to the melaminium cation as the proton donor of the type Nsbnd H⋯O with a distance (N⋯O) = 2.51 Å. It is also linked by other hydrogen bonds to the water molecule of the type Osbnd H⋯O with (O⋯O) = 2.82 Å and to the amino (sbnd NH2) group of melaminium cation of the type Nsbnd H⋯O with (N⋯O) = 2.82 Å as the proton acceptor. The electrostatic potential of the complex is in the range +1.892e × 10-2 to -1.892e × 10-2. The limits of total electron density of the complex is +6.679e × 10-2 to -6.679e × 10-2.

  12. Structural and vibrational spectral investigations of melaminium glutarate monohydrate by FTIR, FT-Raman and DFT methods.

    Science.gov (United States)

    Arjunan, V; Marchewka, M K; Raj, Arushma; Yang, Haifeng; Mohan, S

    2015-01-25

    Melaminium glutarate monohydrate has been synthesised and FTIR and FT-Raman spectral investigations are carried out. The molecular geometry and vibrational frequencies of melaminium glutarate monohydrate in the ground state have been determined by using B3LYP method with 6-31++G(**), 6-31++G and cc-pVDZ basis sets. The stability of the system, inter molecular hydrogen bonding and the electron donor-acceptor interactions of the complex have been investigated by using natural bonding orbital analysis. It reveals that the N-H⋯O and O-H⋯O intermolecular interactions significantly influence crystal packing of this molecular complex. The glutarate anion forms hydrogen bonds to the melaminium cation as the proton donor of the type N-H⋯O with a distance (N⋯O)=2.51 Å. It is also linked by other hydrogen bonds to the water molecule of the type O-H⋯O with (O⋯O)=2.82 Å and to the amino (NH2) group of melaminium cation of the type N-H⋯O with (N⋯O)=2.82 Å as the proton acceptor. The electrostatic potential of the complex is in the range +1.892e×10(-2) to -1.892e×10(-2). The limits of total electron density of the complex is +6.679e×10(-2) to -6.679e×10(-2). Copyright © 2014 Elsevier B.V. All rights reserved.

  13. Enhanced vibration diagnostics using vibration signature analysis

    International Nuclear Information System (INIS)

    Ahmed, S.; Shehzad, K.; Zahoor, Y.; Mahmood, A.; Bibi, A.

    2001-01-01

    Symptoms will appear in equipment, as well as in human beings. when 'suffering from sickness. Symptoms of abnormality in equipment are vibration, noise, deformation, temperature, pressure, electric current, crack, wearing, leakage etc. these are called modes of failure. If the mode of failure is vibration then the vibration signature analysis can be effectively used in order to diagnose the machinery problems. Much valuable information is contained within these vibration 'Spectra' or 'Signatures' but is only of use if the analyst can unlock its 'Secrets'. This paper documents a vibration problem in the motor of a centrifugal pump (Type ETA). It focuses mainly on the roll of modern vibration monitoring system in problem analysis. The problem experienced was the motor unstability and noise due to high vibration. Using enhanced vibration signature data, the problem was analyzed. which suggested that the rotor eccentricity was the cause of excessive noise and vibration in the motor. In conclusion, advanced electronic monitoring and diagnostic systems provide powerful information for machine's condition assessment and problem analysis. Appropriate interpretation and use of this information is important for accurate and effective vibration analysis. (author)

  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. Optimum Design of a Helicopter Rotor for Low Vibration Using Aeroelastic Analysis and Response Surface Methods

    Science.gov (United States)

    Ganguli, R.

    2002-11-01

    An aeroelastic analysis based on finite elements in space and time is used to model the helicopter rotor in forward flight. The rotor blade is represented as an elastic cantilever beam undergoing flap and lag bending, elastic torsion and axial deformations. The objective of the improved design is to reduce vibratory loads at the rotor hub that are the main source of helicopter vibration. Constraints are imposed on aeroelastic stability, and move limits are imposed on the blade elastic stiffness design variables. Using the aeroelastic analysis, response surface approximations are constructed for the objective function (vibratory hub loads). It is found that second order polynomial response surfaces constructed using the central composite design of the theory of design of experiments adequately represents the aeroelastic model in the vicinity of the baseline design. Optimization results show a reduction in the objective function of about 30 per cent. A key accomplishment of this paper is the decoupling of the analysis problem and the optimization problems using response surface methods, which should encourage the use of optimization methods by the helicopter industry.

  16. Acute Effect of Lower-Body Vibration as a Recovery Method After Fatiguing Exercise

    Directory of Open Access Journals (Sweden)

    Svetlana Nepocatych

    2015-09-01

    Full Text Available The purpose of this study was to compare three recovery methods: control (CON, lower-body vibration (LBV and LBV+ local muscle cooling (LBVC on lower-body performance, perceived recovery, and muscle soreness. Physically active male volunteers (n=8 in a repeated-measures, counterbalanced design, completed three sets of squats to fatigue, each recovery treatment, and two Wingate Anaerobic Tests. Rating of perceived exertion (RPE, and heart rate (HR were measured after fatiguing exercise, recovery treatment and Wingate Anaerobic tests. Peak and mean power, fatigue index, Delayed Onset Muscle Soreness (DOMS, and comfort levels were compared between each treatment. In Wingate 1, no significant differences (p=0.42 were found among CON, LBV, or LBVC regarding peak power (1119±239, 1097±225, and 1146±260 W, respectively, mean power (p=0.32, or fatigue index (p=0.47. In Wingate 2, no significant (p=0.17 differences were found among CON, LBV, or LBVC regarding peak power (1042±228, 1078±233, and 1110±268 W, respectively, mean power (p=0.38, or fatigue index (p=0.15. A significantly better (p=0.01 perceived recovery was observed after LBV (6±1 and LBVC (6±1 compared to CON (4±1. The study findings support psychological but not performance enhancing benefits after the use of LBV and LBVC as recovery methods.

  17. Vibrational Properties of h-BN and h-BN-Graphene Heterostructures Probed by Inelastic Electron Tunneling Spectroscopy.

    Science.gov (United States)

    Jung, Suyong; Park, Minkyu; Park, Jaesung; Jeong, Tae-Young; Kim, Ho-Jong; Watanabe, Kenji; Taniguchi, Takashi; Ha, Dong Han; Hwang, Chanyong; Kim, Yong-Sung

    2015-11-13

    Inelastic electron tunneling spectroscopy is a powerful technique for investigating lattice dynamics of nanoscale systems including graphene and small molecules, but establishing a stable tunnel junction is considered as a major hurdle in expanding the scope of tunneling experiments. Hexagonal boron nitride is a pivotal component in two-dimensional Van der Waals heterostructures as a high-quality insulating material due to its large energy gap and chemical-mechanical stability. Here we present planar graphene/h-BN-heterostructure tunneling devices utilizing thin h-BN as a tunneling insulator. With much improved h-BN-tunneling-junction stability, we are able to probe all possible phonon modes of h-BN and graphite/graphene at Γ and K high symmetry points by inelastic tunneling spectroscopy. Additionally, we observe that low-frequency out-of-plane vibrations of h-BN and graphene lattices are significantly modified at heterostructure interfaces. Equipped with an external back gate, we can also detect high-order coupling phenomena between phonons and plasmons, demonstrating that h-BN-based tunneling device is a wonderful playground for investigating electron-phonon couplings in low-dimensional systems.

  18. Simple method for absolute calibration of geophones, seismometers, and other inertial vibration sensors

    International Nuclear Information System (INIS)

    Kann, Frank van; Winterflood, John

    2005-01-01

    A simple but powerful method is presented for calibrating geophones, seismometers, and other inertial vibration sensors, including passive accelerometers. The method requires no cumbersome or expensive fixtures such as shaker platforms and can be performed using a standard instrument commonly available in the field. An absolute calibration is obtained using the reciprocity property of the device, based on the standard mathematical model for such inertial sensors. It requires only simple electrical measurement of the impedance of the sensor as a function of frequency to determine the parameters of the model and hence the sensitivity function. The method is particularly convenient if one of these parameters, namely the suspended mass is known. In this case, no additional mechanical apparatus is required and only a single set of impedance measurements yields the desired calibration function. Moreover, this measurement can be made with the device in situ. However, the novel and most powerful aspect of the method is its ability to accurately determine the effective suspended mass. For this, the impedance measurement is made with the device hanging from a simple spring or flexible cord (depending on the orientation of its sensitive axis). To complete the calibration, the device is weighed to determine its total mass. All the required calibration parameters, including the suspended mass, are then determined from a least-squares fit to the impedance as a function of frequency. A demonstration using both a 4.5 Hz geophone and a 1 Hz seismometer shows that the method can yield accurate absolute calibrations with an error of 0.1% or better, assuming no a priori knowledge of any parameters

  19. Joint Experimental and Theoretical Study on Vibrational Excitation Cross Sections for Electron Collisions with Diacetylene

    Czech Academy of Sciences Publication Activity Database

    Čurík, Roman; Paidarová, Ivana; Allan, M.; Čársky, Petr

    2014-01-01

    Roč. 118, č. 41 (2014), s. 9734-9744 ISSN 1089-5639 R&D Projects: GA ČR GAP208/11/0452; GA MŠk LD14088 Institutional support: RVO:61388955 Keywords : diacetylenes * electron collision * theoretical study Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.693, year: 2014

  20. Complexes of uranyl with N-oxides of heterocyclic amines. Electron-vibrational absorption spectra

    International Nuclear Information System (INIS)

    Jezowska-Trzebiatowska, B.; Wieczorek, M.

    1977-01-01

    A number of coordination compounds formed by uranyl chloride and nitrate with N-oxides of heterocyclic amines have been prepared and characterized by spectral measurements in the absorption region 20000-50000 cm -1 . The electrons and vibronic transitions have been determined and discussed. (author)

  1. Optical transition probabilities in electron-vibration-rotation spectra of diatomic molecules

    International Nuclear Information System (INIS)

    Kuznetsova, L.A.; Kuz'menko, N.E.; Kuzyakov, Yu.Ya.; Plastinin, Yu.A.

    1974-01-01

    The present review systematizes the data on the absolute probabilities of electron transitions in diatomic molecules, which have been published since the beginning of 1961 and up to the end of 1973, and those on the relative transition probabilities, which have been published since the beginning of 1966 till the end of 1973. The review discussed the theoretical relationships underlying the experimental techniques of determining the absolute transition probabilities. Modifications of the techniques under discussion are not specially examined; the details of interest can be found, however, in the references cited. The factual material-, such as the values of the absolute probabilities of electron transitions, the dependences of the electron transition moments on the internuclear distance and the values of the Franck-Condon factors,- is presented in tables 1, 2 and 4, respectively, embracing all the relevant works known to the present authors. Along with a complete systematization of the transition probability data, the authors have attempted a critical analysis of the available data in order to select the most reliable results. The recommended values of the squared matrix elements of the electron transition dipole moments are given in table 3. The last chaper of the work compares the results of calculations of the Franck-Condon factors obtained with the different milecular potentials [ru

  2. High resolution spectroscopy on adsorbed molecules on a Ni (110)-surface: vibrational states and electronic levels

    International Nuclear Information System (INIS)

    Kardinal, I.

    1998-01-01

    The complementary techniques of HR-XPS and HREELS have been applied to two distinct problems. The first studies adsorption and dissociation of C 2 N 2 on Ni (110) at room temperature (RT) and at 90 K and its co-adsorption with CO. At RT C 2 N 2 dissociates and forms a c(2x2)-CN structure. The resulting CN is found to be bound in the grooves of the (110) surface yielding the lowest C-N vibrational energy yet observed. C 2 N 2 was found to dissociate even at 90 K however the resulting CN overlayer after warming to RT showed remarkable differences to that of the RT adsorption. As well as the in-groove species a number of adsorption sites on the ridges with a bond order higher have been identified. Preadsorbed CO is completely driven of the Ni (110) surface by co-adsorption of CN at RT. HREELS indicates that first CO is desorbed from the on-top-sites and then from the bridge-sites of the (110)-ridges involving a considerable increase of the HREELS cross section for the CO on the bridge-sites. Also the signal intensity of the coadsorbed CN is suppressed by the CO present on the surface. The second study investigated the adsorption of bithiophene (BiT) on clean Ni (110) and the S-modified c(2x2)-S-Ni (110) and p(4x1)-S-Ni (110). The latter provided a strongly structured substrate which forced the assembly of the adsorbed BiT-molecules. The high degree of order of this adsorbate/substrate system was obvious in both the HR-XPS results and the BREELS results with strong azimuthal anisotropy. This system was used to asses the ability to use the HREELS impact selection rules to determine molecular orientation of a reasonably complex adsorbate overlayer. (author)

  3. 14 CFR 1260.69 - Electronic funds transfer payment methods.

    Science.gov (United States)

    2010-01-01

    ... Government by electronic funds transfer through the Treasury Fedline Payment System (FEDLINE) or the... 14 Aeronautics and Space 5 2010-01-01 2010-01-01 false Electronic funds transfer payment methods... COOPERATIVE AGREEMENTS General Special Conditions § 1260.69 Electronic funds transfer payment methods...

  4. Handbook Of Noise And Vibration

    International Nuclear Information System (INIS)

    1995-12-01

    This book is about noise and vibration. The first chapter has explanations of noise such as basic of sound, influence of noise, assessment of noise, measurement of prevention of noise and technology, case of noise measurement and soundproof. The second chapter describes vibration with outline, theory of vibration, interpretation of vibration, measurement for reduction of vibration, case of design of protection against vibration. It deals with related regulation and method of measurement.

  5. Low energy electron diffraction (LEED) and sum frequency generation (SFG) vibrational spectroscopy studies of solid-vacuum, solid-air and solid-liquid interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Hoffer, Saskia [Univ. of California, Berkeley, CA (United States)

    2002-01-01

    Electron based surface probing techniques can provide detailed information about surface structure or chemical composition in vacuum environments. The development of new surface techniques has made possible in situ molecular level studies of solid-gas interfaces and more recently, solid-liquid interfaces. The aim of this dissertation is two-fold. First, by using novel sample preparation, Low Energy Electron Diffraction (LEED) and other traditional ultra high vacuum (UHV) techniques are shown to provide new information on the insulator/vacuum interface. The surface structure of the classic insulator NaCl has been determined using these methods. Second, using sum frequency generation (SFG) surface specific vibrational spectroscopy studies were performed on both the biopolymer/air and electrode/electrolyte interfaces. The surface structure and composition of polyetherurethane-silicone copolymers were determined in air using SFG, atomic force microscopy (AFM), and X-ray photoelectron spectroscopy (XPS). SFG studies of the electrode (platinum, gold and copper)/electrolyte interface were performed as a function of applied potential in an electrochemical cell.

  6. Vibration reduction methods and techniques for rotorcraft utilizing on-blade active control, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Rotor blades adapted for vibration control have the added benefit of extended blade and rotor life, as well as improved passenger comfort. Approaches that have been...

  7. Vibrational spectroscopy

    Science.gov (United States)

    Umesh P. Agarwal; Rajai Atalla

    2010-01-01

    Vibrational spectroscopy is an important tool in modern chemistry. In the past two decades, thanks to significant improvements in instrumentation and the development of new interpretive tools, it has become increasingly important for studies of lignin. This chapter presents the three important instrumental methods-Raman spectroscopy, infrared (IR) spectroscopy, and...

  8. Method for surface treatment by electron beams

    International Nuclear Information System (INIS)

    Panzer, S.; Doehler, H.; Bartel, R.; Ardenne, T. von.

    1985-01-01

    The invention has been aimed at simplifying the technology and saving energy in modifying surfaces with the aid of electron beams. The described beam-object geometry allows to abandon additional heat treatments. It can be used for surface hardening

  9. Influence of Electron Molecule Resonant Vibrational Collisions over the Symmetric Mode and Direct Excitation-Dissociation Cross Sections of CO2 on the Electron Energy Distribution Function and Dissociation Mechanisms in Cold Pure CO2 Plasmas.

    Science.gov (United States)

    Pietanza, L D; Colonna, G; Laporta, V; Celiberto, R; D'Ammando, G; Laricchiuta, A; Capitelli, M

    2016-05-05

    A new set of electron-vibrational (e-V) processes linking the first 10 vibrational levels of the symmetric mode of CO2 is derived by using a decoupled vibrational model and inserted in the Boltzmann equation for the electron energy distribution function (eedf). The new eedf and dissociation rates are in satisfactory agreement with the corresponding ones obtained by using the e-V cross sections reported in the database of Hake and Phelps (H-P). Large differences are, on the contrary, found when the experimental dissociation cross sections of Cosby and Helm are inserted in the Boltzman equation. Comparison of the corresponding rates with those obtained by using the low-energy threshold energy, reported in the H-P database, shows differences up to orders of magnitude, which decrease with the increasing of the reduced electric field. In all cases, we show the importance of superelastic vibrational collisions in affecting eedf and dissociation rates either in the direct electron impact mechanism or in the pure vibrational mechanism.

  10. Effects of AFM tip-based direct and vibration assisted scratching methods on nanogrooves fabrication on a polymer resist

    Energy Technology Data Exchange (ETDEWEB)

    Geng, Yanquan [The State Key Laboratory of Robotics and Systems, Robotics Institute, Harbin Institute of Technology, Harbin, Heilongjiang 150080 (China); Center for Precision Engineering, Harbin Institute of Technology, Harbin, Heilongjiang 150001 (China); Yan, Yongda, E-mail: yanyongda@hit.edu.cn [The State Key Laboratory of Robotics and Systems, Robotics Institute, Harbin Institute of Technology, Harbin, Heilongjiang 150080 (China); Center for Precision Engineering, Harbin Institute of Technology, Harbin, Heilongjiang 150001 (China); Zhuang, Yun; Hu, Zhenjiang [Center for Precision Engineering, Harbin Institute of Technology, Harbin, Heilongjiang 150001 (China)

    2015-11-30

    Graphical abstract: - Highlights: • The comparison of three different atomic force microscope (AFM) tip-based material processing techniques to generate nano-grooves on polymethylmethacrylate (PMMA) thin film is presented. • The machined depths of the nano-grooves machined by these three methods are analyzed. • Nano-groove with the machined depth closed to the thickness of the thin-film resist is achieved. - Abstract: This study proposes two atomic force microscope (AFM) tip-based direct nanoscratching methods including single-pass scratching and multi-pass scratching compared with a vibration-assisted scratching method to fabricate nano-grooves on the surface of the polymethylmethacrylate (PMMA) thin-film resist. In order to protect the AFM tip from wearing and optimize the subsequent etching process, the machined depth is expected slightly less than the PMMA thickness to prevent the tip directly contacting with the silicon substrate and obtain better process results. First, single-pass scratching tests are performed on films with different thickness employing varied normal loads. Results show that the machined depths of the grooves cannot be obtained slightly less than the thickness of the film very easily when scratching with single-pass method, 50–120 nm in the present study, which may not be very suitable for the following etching process. Multi-pass and vibration-assisted methods are then utilized to solve this limitation of the machined depth in single-pass process. The machined depths using the multi-pass method are dependent on scratching times and the applied normal loads. Moreover, the depth closed to the thickness of the film can be obtained by enlarging the number of the scratching cycles. However, with a longer scratching time, large tip wear can be found. For vibration assisted method, the machined depths are controlled by the vibration amplitude and the applied normal load. With the vibration in z direction increasing, the machined depth can

  11. The NASA/industry Design Analysis Methods for Vibrations (DAMVIBS) program : Bell Helicopter Textron accomplishments

    Science.gov (United States)

    Cronkhite, James D.

    1993-01-01

    Accurate vibration prediction for helicopter airframes is needed to 'fly from the drawing board' without costly development testing to solve vibration problems. The principal analytical tool for vibration prediction within the U.S. helicopter industry is the NASTRAN finite element analysis. Under the NASA DAMVIBS research program, Bell conducted NASTRAN modeling, ground vibration testing, and correlations of both metallic (AH-1G) and composite (ACAP) airframes. The objectives of the program were to assess NASTRAN airframe vibration correlations, to investigate contributors to poor agreement, and to improve modeling techniques. In the past, there has been low confidence in higher frequency vibration prediction for helicopters that have multibladed rotors (three or more blades) with predominant excitation frequencies typically above 15 Hz. Bell's findings under the DAMVIBS program, discussed in this paper, included the following: (1) accuracy of finite element models (FEM) for composite and metallic airframes generally were found to be comparable; (2) more detail is needed in the FEM to improve higher frequency prediction; (3) secondary structure not normally included in the FEM can provide significant stiffening; (4) damping can significantly affect phase response at higher frequencies; and (5) future work is needed in the areas of determination of rotor-induced vibratory loads and optimization.

  12. Vibration analysis method for detection of abnormal movement of material in a rotary dissolver

    International Nuclear Information System (INIS)

    Smith, C.M.; Fry, D.N.

    1978-11-01

    Vibration signals generated by the movement of simulated nuclear fuel material through a three-stage, continuous, rotary dissolver were frequency analyzed to determine whether these signals contained characteristic signal patterns that would identify each of five phases of operation in the dissolver and, thus, would indicate the proper movement of material through the dissolver. This characterization of the signals is the first step in the development of a system for monitoring the flow of material through a dissolver to be developed for reprocessing spent nuclear fuel. Vibration signals from accelerometers mounted on the dissolver roller supports were analyzed in a bandwidth from 0 to 10 kHz. The analysis established that (1) all five phases of dissolver operation can be characterized by vibration signatures; (2) four of the five phases of operation can be readily and directly identified by a characteristic vibration signature during continuous, prototypic operation; (3) the transfer of material from the inlet to the dissolution stage can be indirectly monitored by one of the other four vibration signatures (the mixing signature) during prototypic operation; (4) a simulated blockage between the dissolution and exit stages can be detected by changes in one or more characteristic vibration signatures; and (5) a simulated blockage of the exit chute cannot be detected

  13. Equivalence of Electron-Vibration Interaction and Charge-Induced Force Variations: A New O(1 Approach to an Old Problem

    Directory of Open Access Journals (Sweden)

    Tunna Baruah

    2012-04-01

    Full Text Available Calculating electron-vibration (vibronic interaction constants is computationally expensive. For molecules containing N nuclei it involves solving the Schrödinger equation for Ο(3N nuclear configurations in addition to the cost of determining the vibrational modes. We show that quantum vibronic interactions are proportional to the classical atomic forces induced when the total charge of the system is varied. This enables the calculation of vibronic interaction constants from O(1 solutions of the Schrödinger equation. We demonstrate that the O(1 approach produces numerically accurate results by calculating the vibronic interaction constants for several molecules. We investigate the role of molecular vibrations in the Mott transition in κ-(BEDT-TTF2Cu[N(CN2]Br.

  14. 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.

  15. Structure and orientation of interfacial proteins determined by sum frequency generation vibrational spectroscopy: method and application.

    Science.gov (United States)

    Ye, Shuji; Wei, Feng; Li, Hongchun; Tian, Kangzhen; Luo, Yi

    2013-01-01

    In situ and real-time characterization of molecular structures and orientation of proteins at interfaces is essential to understand the nature of interfacial protein interaction. Such work will undoubtedly provide important clues to control biointerface in a desired manner. Sum frequency generation vibrational spectroscopy (SFG-VS) has been demonstrated to be a powerful technique to study the interfacial structures and interactions at the molecular level. This paper first systematically introduced the methods for the calculation of the Raman polarizability tensor, infrared transition dipole moment, and SFG molecular hyperpolarizability tensor elements of proteins/peptides with the secondary structures of α-helix, 310-helix, antiparallel β-sheet, and parallel β-sheet, as well as the methodology to determine the orientation of interfacial protein secondary structures using SFG amide I spectra. After that, recent progresses on the determination of protein structure and orientation at different interfaces by SFG-VS were then reviewed, which provides a molecular-level understanding of the structures and interactions of interfacial proteins, specially understanding the nature of driving force behind such interactions. Although this review has focused on analysis of amide I spectra, it will be expected to offer a basic idea for the spectral analysis of amide III SFG signals and other complicated molecular systems such as RNA and DNA. Copyright © 2013 Elsevier Inc. All rights reserved.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-05-15

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

  17. Designing a hand rest tremor dynamic vibration absorber using H2 optimization method

    International Nuclear Information System (INIS)

    Rahnavard, Mostafa; Dizaji, Ahmad F.; Hashemi, Mojtaba; Faramand, Farzam

    2014-01-01

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

  18. Structural, electronic and vibrational properties of GexCy (x+y=2-5) nanoclusters: A B3LYP-DFT study

    Science.gov (United States)

    Goswami, Sohini; Saha, Sushmita; Yadav, R. K.

    2015-11-01

    An ab-initio study of the stability, structural and electronic properties has been made for 84 germanium carbide nanoclusters, GexCy (x+y=2-5). The configuration possessing the maximum value of final binding energy (FBE), among the various configurations corresponding to a fixed x+y=n value, is named as the most stable structure. The vibrational and optical properties have been investigated only for the most stable structures. A B3LYP-DFT/6-311G(3df) method has been employed to optimize fully the geometries of the nanoclusters. The binding energies (BE), highest-occupied and lowest-unoccupied molecular orbital (HOMO-LUMO) gaps have been obtained for all the clusters and the bond lengths have been reported for the most stable clusters. We have considered the zero point energy (ZPE) corrections. The adiabatic and vertical ionization potentials (IPs) and electron affinities (EAs), charge on atoms, dipole moments, vibrational frequencies, infrared intensities (IR Int.), relative infrared intensities (Rel. IR Int.) and Raman scattering activities have also been investigated for the most stable structures. The configurations containing the carbon atoms in majority are seen to be the most stable structures. The strong C-C bond has important role in stabilizing the clusters. For the clusters containing one germanium atom and all the other as carbon atoms, the BE increases monotonically with the number of the carbon atoms. The HOMO-LUMO gap, IPs and EAs fluctuates with increase in the number of atoms. The nanoclusters containing even number of carbon atoms have large HOMO-LUMO gaps and IPs, whereas the nanoclusters containing even number of carbon atoms have small EAs. In general, the adiabatic IP (EA) is smaller (greater) than the vertical IP (EA). The optical absorption spectrum or electron energy loss spectrum (EELS) is unique for every cluster, and may be used to characterize a specific cluster. All the predicted physical quantities are in good agreement with the

  19. Structural, electronic and vibrational properties of small GaxNy (x+y = 2-5) nanoclusters: a B3LYP-DFT study

    International Nuclear Information System (INIS)

    Yadav, P S; Yadav, R K; Agrawal, B K

    2007-01-01

    An ab initio study of the stability, structural and electronic properties has been made for 49 gallium nitride nanoclusters, Ga x N y (x+y = 2-5). Among the various configurations corresponding to a fixed x+y = n value, the configuration possessing the maximum value of binding energy (BE) is named as the most stable structure. The vibrational and optical properties have been investigated only for the most stable structures. A B3LYP-DFT/6-311G(3df) method has been employed to optimize the geometries of the nanoclusters fully. The binding energies (BEs), highest-occupied and lowest-unoccupied molecular orbital (HOMO-LUMO) gaps and the bond lengths have been obtained for all the clusters. We have considered the zero-point energy (ZPE) corrections ignored by the earlier workers. The adiabatic and vertical ionization potentials (IPs) and electron affinities (EAs), charge on atoms, dipole moments, vibrational frequencies, infrared intensities (IR Int.), relative infrared intensities (Rel. IR Int.) and Raman scattering activities have been investigated for the most stable structures. The configurations containing the N atoms in majority are seen to be the most stable structures. The strong N-N bond has an important role in stabilizing the clusters. For clusters containing one Ga atom and all the others as N atoms, the BE increases monotonically with the number of the N atoms. The HOMO-LUMO gap and IP fluctuate with the cluster size n, having larger values for the clusters containing odd number of N atoms. On the other hand, the EA decreases with the cluster size up to n = 3, and shows slow fluctuations thereafter for the larger clusters. In general, the adiabatic IP (EA) is smaller (greater) than the vertical IP (EA) because of the lower energies of the most stable ground state of the cationic (anionic) clusters. The optical absorption spectrum or electron energy loss spectrum (EELS) is unique for every cluster, and may be used to characterize a specific cluster. All the

  20. The Generalized Coherent State ansatz: Application to quantum electron-vibrational dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Borrelli, Raffaele, E-mail: raffaele.borrelli@unito.it [DISAFA, Università di Torino, I-10095 Grugliasco (Italy); Gelin, Maxim F. [Departement of Chemistry, Technische Universität München, D-85747 Garching (Germany)

    2016-12-20

    A new ansatz for molecular vibronic wave functions based on a superposition of time-dependent Generalized Coherent States is developed and analysed. The methodology is specifically tailored to describe the time evolution of the wave function of a system in which several interacting electronic states are coupled to a bath of harmonic oscillators. The equations of motion for the wave packet parameters are obtained by using the Dirac–Frenkel time-dependent variational principle. The methodology is used to describe the quantum dynamical behavior of a model polaron system and its scaling and convergence properties are discussed and compared with numerically exact results.

  1. New methods for trigger electronics development

    Energy Technology Data Exchange (ETDEWEB)

    Cleland, W.E.; Stern, E.G. [Univ. of Pittsburgh, PA (United States)

    1991-12-31

    The large and complex nature of RHIC experiments and the tight time schedule for their construction requires that new techniques for designing the electronics should be employed. This is particularly true of the trigger and data acquisition electronics which has to be ready for turn-on of the experiment. We describe the use of the Workview package from VIEWlogic Inc. for design, simulation, and verification of a flash ADC readout system. We also show how field-programmable gate arrays such as the Xilinx 4000 might be employed to construct or prototype circuits with a large number of gates while preserving flexibility.

  2. Model of daytime emissions of electronically-vibrationally excited products of O3 and O2 photolysis: application to ozone retrieval

    Directory of Open Access Journals (Sweden)

    V. A. Yankovsky

    2006-11-01

    Full Text Available The traditional kinetics of electronically excited products of O3 and O2 photolysis is supplemented with the processes of the energy transfer between electronically-vibrationally excited levels O2(a1Δg, v and O2(b1Σ+g, v, excited atomic oxygen O(1D, and the O2 molecules in the ground electronic state O2(X3Σg−, v. In contrast to the previous models of kinetics of O2(a1Δg and O2 (b1Σ+g, our model takes into consideration the following basic facts: first, photolysis of O3 and O2 and the processes of energy exchange between the metastable products of photolysis involve generation of oxygen molecules on highly excited vibrational levels in all considered electronic states – b1Σ+g, a1Δg and X3Σg−; second, the absorption of solar radiation not only leads to populating the electronic states on vibrational levels with vibrational quantum number v equal to 0 – O2(b1Σ+g, v=0 (at 762 nm and O2(a1Δg, v=0 (at 1.27 µm, but also leads to populating the excited electronic–vibrational states O2(b1Σ+g, v=1 and O2(b1Σ+g, v=2 (at 689 nm and 629 nm. The proposed model allows one to calculate not only the vertical profiles of the O2(a1Δg, v=0 and O2(b1Σg, v=0 concentrations, but also the profiles of [O2(a1Δg, v≤5], [O2 (b1Σ+g , v=1, 2] and O2(X3Σg−, v=1–35. In the altitude range 60–125 km, consideration of the electronic-vibrational kinetics significantly changes the calculated concentrations of the metastable oxygen molecules and reduces the discrepancy between the altitude profiles of ozone concentrations retrieved from the 762-nm and 1.27-µm emissions measured simultaneously.

  3. PREFACE: Vibrations at surfaces Vibrations at surfaces

    Science.gov (United States)

    Rahman, Talat S.

    2011-12-01

    This special issue is dedicated to the phenomenon of vibrations at surfaces—a topic that was indispensible a couple of decades ago, since it was one of the few phenomena capable of revealing the nature of binding at solid surfaces. For clean surfaces, the frequencies of modes with characteristic displacement patterns revealed how surface geometry, as well as the nature of binding between atoms in the surface layers, could be different from that in the bulk solid. Dispersion of the surface phonons provided further measures of interatomic interactions. For chemisorbed molecules on surfaces, frequencies and dispersion of the vibrational modes were also critical for determining adsorption sites. In other words, vibrations at surfaces served as a reliable means of extracting information about surface structure, chemisorption and overlayer formation. Experimental techniques, such as electron energy loss spectroscopy and helium-atom-surface scattering, coupled with infra-red spectroscopy, were continually refined and their resolutions enhanced to capture subtleties in the dynamics of atoms and molecules at surfaces. Theoretical methods, whether based on empirical and semi-empirical interatomic potential or on ab initio electronic structure calculations, helped decipher experimental observations and provide deeper insights into the nature of the bond between atoms and molecules in regions of reduced symmetry, as encountered on solid surfaces. Vibrations at surfaces were thus an integral part of the set of phenomena that characterized surface science. Dedicated workshops and conferences were held to explore the variety of interesting and puzzling features revealed in experimental and theoretical investigations of surface vibrational modes and their dispersion. One such conference, Vibrations at Surfaces, first organized by Harald Ibach in Juelich in 1980, continues to this day. The 13th International Conference on Vibrations at Surfaces was held at the University of

  4. Transfer vibration through spine

    OpenAIRE

    Benyovszky, Adam

    2012-01-01

    Transfer Vibration through Spine Abstract In the bachelor project we deal with the topic of Transfer Vibration through Spine. The problem of TVS is trying to be solved by the critical review method. We analyse some diagnostic methods and methods of treatment based on this principle. Close attention is paid to the method of Transfer Vibration through Spine that is being currently solved by The Research Institute of Thermomechanics in The Czech Academy of Sciences in cooperation with Faculty of...

  5. Molecular dynamics and simulations study on the vibrational and electronic solvatochromism of benzophenone

    Energy Technology Data Exchange (ETDEWEB)

    Ravi Kumar, Venkatraman; Umapathy, Siva, E-mail: umapathy@ipc.iisc.ernet.in, E-mail: chandra@bii.a-star.edu.sg [Inorganic and Physical Chemistry Department, Indian Institute of Science, Bangalore 560012 (India); Verma, Chandra, E-mail: umapathy@ipc.iisc.ernet.in, E-mail: chandra@bii.a-star.edu.sg [Bioinformatics Institute - A*STAR, 30 Biopolis Street, # 07-01 Matrix, Singapore 138671 (Singapore); School of Biological Sciences, Nanyang Technological University, 60 Nanyang Drive, Singapore 637551 (Singapore); Department of Biological Sciences, National University of Singapore, 14 Science Drive 4, Singapore 117543 (Singapore)

    2016-02-14

    Solvent plays a key role in diverse physico-chemical and biological processes. Therefore, understanding solute-solvent interactions at the molecular level of detail is of utmost importance. A comprehensive solvatochromic analysis of benzophenone (Bzp) was carried out in various solvents using Raman and electronic spectroscopy, in conjunction with Density Functional Theory (DFT) calculations of supramolecular solute-solvent clusters generated using classical Molecular Dynamics Simulations (c-MDSs). The >C=O stretching frequency undergoes a bathochromic shift with solvent polarity. Interestingly, in protic solvents this peak appears as a doublet: c-MDS and ad hoc explicit solvent ab initio calculations suggest that the lower and higher frequency peaks are associated with the hydrogen bonded and dangling carbonyl group of Bzp, respectively. Additionally, the dangling carbonyl in methanol (MeOH) solvent is 4 cm{sup −1} blue-shifted relative to acetonitrile solvent, despite their similar dipolarity/polarizability. This suggests that the cybotactic region of the dangling carbonyl group in MeOH is very different from its bulk solvent structure. Therefore, we propose that this blue-shift of the dangling carbonyl originates in the hydrophobic solvation shell around it resulting from extended hydrogen bonding network of the protic solvents. Furthermore, the 1{sup 1}nπ{sup ∗} (band I) and 1{sup 1}ππ{sup ∗} (band II) electronic transitions show a hypsochromic and bathochromic shift, respectively. In particular, these shifts in protic solvents are due to differences in their excited state-hydrogen bonding mechanisms. Additionally, a linear relationship is obtained for band I and the >C=O stretching frequency (cm{sup −1}), which suggests that the different excitation wavelengths in band I correspond to different solvation states. Therefore, we hypothesize that the variation in excitation wavelengths in band I could arise from different solvation states leading to

  6. Phase diagrams, thermodynamic properties and sound velocities derived from a multiple Einstein method using vibrational densities of states : an application to MgO–SiO2

    NARCIS (Netherlands)

    Jacobs, Michael H G; Schmid-Fetzer, Rainer; van den Berg, Arie P.

    2017-01-01

    In a previous paper, we showed a technique that simplifies Kieffer’s lattice vibrational method by representing the vibrational density of states with multiple Einstein frequencies. Here, we show that this technique can be applied to construct a thermodynamic database that accurately represents

  7. Anti-correlated spectral motion in bisphthalocyanines: evidence for vibrational modulation of electronic mixing.

    Science.gov (United States)

    Prall, Bradley S; Parkinson, Dilworth Y; Ishikawa, Naoto; Fleming, Graham R

    2005-12-08

    We exploit a coherently excited nuclear wave packet to study nuclear motion modulation of electronic structure in a metal bridged phthalocyanine dimer, lutetium bisphthalocyanine, which displays two visible absorption bands. We find that the nuclear coordinate influences the energies of the underlying exciton and charge resonance states as well as their interaction; the interplay of the various couplings creates unusual anti-correlated spectral motion in the two bands. Excited state relaxation dynamics are the same regardless of which transition is pumped, with decay time constants of 1.5 and 11 ps. The dynamics are analyzed using a three-state kinetic model after relaxation from one or two additional states faster than the experimental time resolution of 50-100 fs.

  8. Optimization of Surface Finish in Turning Operation by Considering the Machine Tool Vibration using Taguchi Method

    Directory of Open Access Journals (Sweden)

    Muhammad Munawar

    2012-01-01

    Full Text Available Optimization of surface roughness has been one of the primary objectives in most of the machining operations. Poor control on the desired surface roughness generates non conforming parts and results into increase in cost and loss of productivity due to rework or scrap. Surface roughness value is a result of several process variables among which machine tool condition is one of the significant variables. In this study, experimentation was carried out to investigate the effect of machine tool condition on surface roughness. Variable used to represent machine tool\\'s condition was vibration amplitude. Input parameters used, besides vibration amplitude, were feed rate and insert nose radius. Cutting speed and depth of cut were kept constant. Based on Taguchi orthogonal array, a series of experimentation was designed and performed on AISI 1040 carbon steel bar at default and induced machine tool\\'s vibration amplitudes. ANOVA (Analysis of Variance, revealed that vibration amplitude and feed rate had moderate effect on the surface roughness and insert nose radius had the highest significant effect on the surface roughness. It was also found that a machine tool with low vibration amplitude produced better surface roughness. Insert with larger nose radius produced better surface roughness at low feed rate.

  9. Two methods for damping torsional vibrations in DFIG-based wind generators using power converters

    Science.gov (United States)

    Zhao, Zuyi; Lu, Yupu; Xie, Da; Yu, Songtao; Wu, Wangping

    2017-01-01

    This paper proposes novel damping control algorithms by using static synchronous compensator (STATCOM) and energy storage system (ESS) to damp torsional vibrations in doubly fed induction generator (DFIG) based wind turbine systems. It first analyses the operating characteristics of STATCOM and ESS for regulating power variations to increase grid voltage stability. Then, new control strategies for STATCOM and ESS are introduced to damp the vibrations. It is followed by illustration of their effectiveness to damp the drive train torsional vibrations of wind turbines, which can be caused by grid disturbances, such as voltage sags and frequency fluctuations. Results suggest that STATCOM is a promising technology to mitigate the torsional vibrations caused by grid voltage sags. By contrast, the ESS connected to the point of common coupling (PCC) of wind turbine systems shows even obvious advantages because of its capability of absorbing/releasing both active and reactive power. It can thus be concluded that STATCOM is useful for stabilizing power system voltage fluctuations, and ESS is more effective both in regulating PCC voltage fluctuations and damping torsional vibrations caused by grid voltage frequency fluctuations.

  10. Optimal placement of trailing-edge flaps for helicopter vibration reduction using response surface methods

    Science.gov (United States)

    Viswamurthy, S. R.; Ganguli, Ranjan

    2007-03-01

    This study aims to determine optimal locations of dual trailing-edge flaps to achieve minimum hub vibration levels in a helicopter, while incurring low penalty in terms of required trailing-edge flap control power. An aeroelastic analysis based on finite elements in space and time is used in conjunction with an optimal control algorithm to determine the flap time history for vibration minimization. The reduced hub vibration levels and required flap control power (due to flap motion) are the two objectives considered in this study and the flap locations along the blade are the design variables. It is found that second order polynomial response surfaces based on the central composite design of the theory of design of experiments describe both objectives adequately. Numerical studies for a four-bladed hingeless rotor show that both objectives are more sensitive to outboard flap location compared to the inboard flap location by an order of magnitude. Optimization results show a disjoint Pareto surface between the two objectives. Two interesting design points are obtained. The first design gives 77 percent vibration reduction from baseline conditions (no flap motion) with a 7 percent increase in flap power compared to the initial design. The second design yields 70 percent reduction in hub vibration with a 27 percent reduction in flap power from the initial design.

  11. Study of electron-vibrational interaction in 5d states of Ce{sup 3+} ions in the chloroapatite system

    Energy Technology Data Exchange (ETDEWEB)

    Bhoyar, Priyanka D. [Department of Physics, R.T.M. Nagpur University, Nagpur, 440033 (India); Brik, M.G., E-mail: brik@ut.ee [College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing, 400065 (China); Institute of Physics, University of Tartu, Ravila 14C, Tartu, 50411 (Estonia); Institute of Physics, Polish Academy of Sciences, al. Lotnikow 32/46, 02-668, Warsaw (Poland); Institute of Physics, Jan Dlugosz University, Armii Krajowej 13/15, PL-42200, Czestochowa (Poland); Dhoble, S.J., E-mail: sjdhoble@rediffmail.com [Department of Physics, R.T.M. Nagpur University, Nagpur, 440033 (India)

    2016-08-15

    Electron-vibrational interaction (EVI) in interconfigurational 5d-4f transition of Ce{sup 3+}-doped alkaline-earth chlorophosphates, also known as apatites, is studied for the first time in this work. Using the configurational coordinate model, the main EVI parameters such as Huang-Rhys factor, effective phonon energy and the zero-phonon line (ZPL) position are determined for all samples studied. Photoluminescence characteristics of these compounds are utilized to estimate EVI parameters. As a reliable test validating the obtained results, the emission band shape of was modeled to yield good agreement with experimental emission spectra. The values of EVI parameters were systematically compared for all studied materials as well as with similar systems with halide ions. - Highlights: • EVI in Ce{sup 3+}-doped alkaline-earth halochlorophosphates is studied for the first time in this work. • The EVI parameters are estimated using the configurational coordinate model. • Estimated EVI parameters are validated by modeling emission spectra. • Parameters are systematically compared.

  12. 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)

  13. 14 CFR 1274.931 - Electronic funds transfer payment methods.

    Science.gov (United States)

    2010-01-01

    ... cooperative agreement will be made by the Government by electronic funds transfer through the Treasury Fedline... 14 Aeronautics and Space 5 2010-01-01 2010-01-01 false Electronic funds transfer payment methods... COOPERATIVE AGREEMENTS WITH COMMERCIAL FIRMS Other Provisions and Special Conditions § 1274.931 Electronic...

  14. A Method to Assess Transverse Vibration Energy of Ship Propeller Shaft for Diagnostic Purposes

    Directory of Open Access Journals (Sweden)

    Korczewski Zbigniew

    2017-12-01

    Full Text Available The article discusses a key problem of ship propulsion system vibration diagnostics, which concerns assessing this part of mechanical energy transmitted from the main engine to the ship propeller which is dissipated due to propeller shaft vibration. A simplified calculation model is proposed which allows the total energy of the generated torsional vibration to be assessed from the shaft deflection amplitude measured at the mind-span point between the supports. To verify the developed model, pilot tests were performed on the laboratory rotational mechanical system test rig. In those tests, cyclic bending moment was applied to a unified (cylindrical material sample, which modelled, at an appropriate scale, structural and functional properties of a real propeller shaft.

  15. Improved practical formulas for estimation of cable tension by vibration method; Shindoho ni yoru cable choryoku jitsuyo santeishiki no hosei

    Energy Technology Data Exchange (ETDEWEB)

    Zui, H. [Setsunan University, Osaka (Japan). Faculty of Engineering; Shinke, T. [Kobe Technical College, Kobe, Kobe (Japan); Hamazaki, Y. [Kobe Steel, Ltd., Kobe (Japan)

    1995-10-21

    The vibration method is usually utilized on the measurement of cable tension during construction of cable bridge such as Nielsen bridges or cable stayed bridges. Practical formula for the vibration method previously proposed by authors is often used where bending rigidity is taken into account. These formula, however, have a certain limit of application and do not yield good results when the cable is not slender or not enough mentioned. The practical formula is modified to improve the accuracy and new formulas are made. The new practical formulas are applicable to any cables, regardless of its length and tension in it. The accuracy is confirmed through comparison of the value obtained by practical formulas with measured values and calculated value by F.E.M. 2 refs., 4 figs., 1 tab.

  16. Geometric reconstruction methods for electron tomography

    DEFF Research Database (Denmark)

    Alpers, Andreas; Gardner, Richard J.; König, Stefan

    2013-01-01

    Electron tomography is becoming an increasingly important tool in materials science for studying the three-dimensional morphologies and chemical compositions of nanostructures. The image quality obtained by many current algorithms is seriously affected by the problems of missing wedge artefacts...... and discuss several algorithms from the mathematical fields of geometric and discrete tomography. The algorithms incorporate geometric prior knowledge (mainly convexity and homogeneity), which also in principle considerably reduces the number of tilt angles required. Results are discussed...

  17. Observation of coherent optical phonons excited by femtosecond laser radiation in Sb films by ultrafast electron diffraction method

    Energy Technology Data Exchange (ETDEWEB)

    Mironov, B. N.; Kompanets, V. O.; Aseev, S. A., E-mail: isanfemto@yandex.ru [Russian Academy of Sciences, Institute of Spectroscopy (Russian Federation); Ischenko, A. A. [Moscow Technological University, Institute of High Chemical Technologies (Russian Federation); Kochikov, I. V. [Moscow State University (Russian Federation); Misochko, O. V. [Russian Academy of Sciences, Institute of Solid State Physics (Russian Federation); Chekalin, S. V.; Ryabov, E. A. [Russian Academy of Sciences, Institute of Spectroscopy (Russian Federation)

    2017-03-15

    The generation of coherent optical phonons in a polycrystalline antimony film sample has been investigated using femtosecond electron diffraction method. Phonon vibrations have been induced in the Sb sample by the main harmonic of a femtosecond Ti:Sa laser (λ = 800 nm) and probed by a pulsed ultrashort photoelectron beam synchronized with the pump laser. The diffraction patterns recorded at different times relative to the pump laser pulse display oscillations of electron diffraction intensity corresponding to the frequencies of vibrations of optical phonons: totally symmetric (A{sub 1g}) and twofold degenerate (E{sub g}) phonon modes. The frequencies that correspond to combinations of these phonon modes in the Sb sample have also been experimentally observed.

  18. Characterization of the calcification of cardiac valve bioprostheses by environmental scanning electron microscopy and vibrational spectroscopy.

    Science.gov (United States)

    Delogne, Christophe; Lawford, Patricia V; Habesch, Steven M; Carolan, Vikki A

    2007-10-01

    Bioprosthetic heart valve tissue and associated calcification were studied in their natural state, using environmental scanning electron microscopy (ESEM). Energy dispersive X-ray micro-analysis, X-ray diffraction, Fourier-transform infrared and Raman spectroscopy were used to characterize the various calcific deposits observed with ESEM. The major elements present in calcified valves were also analyzed by inductively coupled plasma-optical emission spectroscopy. To better understand the precursor formation of the calcific deposits, results from the elemental analyses were statistically correlated. ESEM revealed the presence of four broad types of calcium phosphate crystal morphology. In addition, two main patterns of organization of calcific deposits were observed associated with the collagen fibres. Energy dispersive X-ray micro-analysis identified the crystals observed by ESEM as salts containing mainly calcium and phosphate with ratios from 1.340 (possibly octacalcium phosphate, which has a Ca/P ratio of 1.336) to 2.045 (possibly hydroxyapatite with incorporation of carbonate and metal ion contaminants, such as silicon and magnesium, in the crystal lattice). Raman and fourier-transform infrared spectroscopy also identified the presence of carbonate and the analyses showed spectral features very similar to a crystalline hydroxyapatite spectrum, also refuting the presence of precursor phases such as beta-tricalcium phosphate, octacalcium phosphate and dicalcium phosphate dihydrate. The results of this study raised the possibility of the presence of precursor phases associated with the early stages of calcification.

  19. Vibrational excitation resulting from electron capture in LUMO of F2 ...

    Indian Academy of Sciences (India)

    of F2 and HCl – A treatment using the time-dependent wave ... using Fourier grid Hamiltonian method applied to potential energy (PE) curve of the neutral target. The result- ..... reason for splitting of the wave packet is unknown to us.

  20. Vibrational Investigations of Silver-Doped Hydroxyapatite with Antibacterial Properties

    OpenAIRE

    Ciobanu, Carmen Steluta; Iconaru, Simona Liliana; Le Coustumer, Phillippe; Predoi, Daniela

    2013-01-01

    Silver-doped hydroxyapatite (Ag:HAp) was obtained by coprecipitation method. Transmission electron microscopy (TEM), infrared, and Raman analysis confirmed the development of Ag:HAp with good crystal structure. Transmission electron microscopy analysis showed an uniform ellipsoidal morphology with particles from 5 nm to 15 nm. The main vibrational bands characteristic to HAp were identified. The bands assigned to phosphate vibrational group were highlighted in infrared and Raman spectra. The...

  1. Geometric reconstruction methods for electron tomography

    Energy Technology Data Exchange (ETDEWEB)

    Alpers, Andreas, E-mail: alpers@ma.tum.de [Zentrum Mathematik, Technische Universität München, D-85747 Garching bei München (Germany); Gardner, Richard J., E-mail: Richard.Gardner@wwu.edu [Department of Mathematics, Western Washington University, Bellingham, WA 98225-9063 (United States); König, Stefan, E-mail: koenig@ma.tum.de [Zentrum Mathematik, Technische Universität München, D-85747 Garching bei München (Germany); Pennington, Robert S., E-mail: robert.pennington@uni-ulm.de [Center for Electron Nanoscopy, Technical University of Denmark, DK-2800 Kongens Lyngby (Denmark); Boothroyd, Chris B., E-mail: ChrisBoothroyd@cantab.net [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Grünberg Institute, Forschungszentrum Jülich, D-52425 Jülich (Germany); Houben, Lothar, E-mail: l.houben@fz-juelich.de [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Grünberg Institute, Forschungszentrum Jülich, D-52425 Jülich (Germany); Dunin-Borkowski, Rafal E., E-mail: rdb@fz-juelich.de [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Grünberg Institute, Forschungszentrum Jülich, D-52425 Jülich (Germany); Joost Batenburg, Kees, E-mail: Joost.Batenburg@cwi.nl [Centrum Wiskunde and Informatica, NL-1098XG, Amsterdam, The Netherlands and Vision Lab, Department of Physics, University of Antwerp, B-2610 Wilrijk (Belgium)

    2013-05-15

    Electron tomography is becoming an increasingly important tool in materials science for studying the three-dimensional morphologies and chemical compositions of nanostructures. The image quality obtained by many current algorithms is seriously affected by the problems of missing wedge artefacts and non-linear projection intensities due to diffraction effects. The former refers to the fact that data cannot be acquired over the full 180° tilt range; the latter implies that for some orientations, crystalline structures can show strong contrast changes. To overcome these problems we introduce and discuss several algorithms from the mathematical fields of geometric and discrete tomography. The algorithms incorporate geometric prior knowledge (mainly convexity and homogeneity), which also in principle considerably reduces the number of tilt angles required. Results are discussed for the reconstruction of an InAs nanowire. - Highlights: ► Four algorithms for electron tomography are introduced that utilize prior knowledge. ► Objects are assumed to be homogeneous; convexity and regularity is also discussed. ► We are able to reconstruct slices of a nanowire from as few as four projections. ► Algorithms should be selected based on the specific reconstruction task at hand.

  2. Geometric reconstruction methods for electron tomography

    International Nuclear Information System (INIS)

    Alpers, Andreas; Gardner, Richard J.; König, Stefan; Pennington, Robert S.; Boothroyd, Chris B.; Houben, Lothar; Dunin-Borkowski, Rafal E.; Joost Batenburg, Kees

    2013-01-01

    Electron tomography is becoming an increasingly important tool in materials science for studying the three-dimensional morphologies and chemical compositions of nanostructures. The image quality obtained by many current algorithms is seriously affected by the problems of missing wedge artefacts and non-linear projection intensities due to diffraction effects. The former refers to the fact that data cannot be acquired over the full 180° tilt range; the latter implies that for some orientations, crystalline structures can show strong contrast changes. To overcome these problems we introduce and discuss several algorithms from the mathematical fields of geometric and discrete tomography. The algorithms incorporate geometric prior knowledge (mainly convexity and homogeneity), which also in principle considerably reduces the number of tilt angles required. Results are discussed for the reconstruction of an InAs nanowire. - Highlights: ► Four algorithms for electron tomography are introduced that utilize prior knowledge. ► Objects are assumed to be homogeneous; convexity and regularity is also discussed. ► We are able to reconstruct slices of a nanowire from as few as four projections. ► Algorithms should be selected based on the specific reconstruction task at hand

  3. Numerical methods for analysis of structure and ground vibration from moving loads

    DEFF Research Database (Denmark)

    Andersen, L.; Nielsen, S.R.K.; Krenk, Steen

    2007-01-01

    An overview of the main theoretical aspects of finite-element and boundary-element modelling of the response to moving loads is given. The moving loads represent sources of noise and vibration generated by moving vehicles, and the analysis describes the propagation of the disturbances generated i...

  4. New Methods of Noncontact Sensing of Blade Vibrations and Deflections in Turbomachinery

    Czech Academy of Sciences Publication Activity Database

    Procházka, Pavel; Vaněk, František

    2014-01-01

    Roč. 63, č. 6 (2014), s. 1583-1592 ISSN 0018-9456 R&D Projects: GA TA ČR TA02020728 Institutional support: RVO:61388998 Keywords : blade vibrations * induction sensors * magnetoresistive (MR) sensors * steam turbines Subject RIV: BI - Acoustics Impact factor: 1.790, year: 2014

  5. Real-time visualization of the vibrational wavepacket dynamics in electronically excited pyrimidine via femtosecond time-resolved photoelectron imaging

    Science.gov (United States)

    Li, Shuai; Long, Jinyou; Ling, Fengzi; Wang, Yanmei; Song, Xinli; Zhang, Song; Zhang, Bing

    2017-07-01

    The vibrational wavepacket dynamics at the very early stages of the S1-T1 intersystem crossing in photoexcited pyrimidine is visualized in real time by femtosecond time-resolved photoelectron imaging and time-resolved mass spectroscopy. A coherent superposition of the vibrational states is prepared by the femtosecond pump pulse at 315.3 nm, resulting in a vibrational wavepacket. The composition of the prepared wavepacket is directly identified by a sustained quantum beat superimposed on the parent-ion transient, possessing a frequency in accord with the energy separation between the 6a1 and 6b2 states. The dephasing time of the vibrational wavepacket is determined to be 82 ps. More importantly, the variable Franck-Condon factors between the wavepacket components and the dispersed cation vibrational levels are experimentally illustrated to identify the dark state and follow the energy-flow dynamics on the femtosecond time scale. The time-dependent intensities of the photoelectron peaks originated from the 6a1 vibrational state exhibit a clear quantum beating pattern with similar periodicity but a phase shift of π rad with respect to those from the 6b2 state, offering an unambiguous picture of the restricted intramolecular vibrational energy redistribution dynamics in the 6a1/6b2 Fermi resonance.

  6. Cross sections for the vibrational excitation of the H2 X 1Σ+g(v) levels generated by electron collisional excitation of the higher singlet states

    International Nuclear Information System (INIS)

    Hiskes, J.R.

    1991-01-01

    The excitation cross sections, σ(v,v double-prime), for an H 2 molecule initially in any one of the 15 vibrational levels, v belonging to the ground electronic state and excited to a final vibrational level, v double-prime are evaluated for direct excitations via all members of the excited electronic singlet spectrum. Account is taken of predissociation, autoionization, and radiative decay of the excited electronic spectrum that leads to a final population distribution for the ground electronic state, X 1 Σ + g (v double-prime). For v=0, account is taken explicitly of transitions via the B, C, B', and D electronic states in evaluating the cross sections. The additional contribution of excitations via all Rydberg states lying above the D state enhances these cross sections by approximately 10%. For v>0, cross sections are evaluated taking explicit account of transitions through the B and C states; higher singlet excitations enhance these values by 25%. The choice of the reference total cross sections remains a subjective one, causing the values calculated here to have a possible uncertainty of +20% -30% . For excitations occurring within a hydrogen discharge, collisional excitation-ionization events among the intermediate singlet states will effectively quench the v, v double-prime excitation process for discharge densities in excess of the range 10 15 --10 16 electrons/cm -3

  7. Na2 Vibrating in the Double-Well Potential of State 2 1Σu+ (JM = 00): A Pulsating "Quantum Bubble" with Antagonistic Electronic Flux.

    Science.gov (United States)

    Diestler, D J; Jia, D; Manz, J; Yang, Y

    2018-03-01

    The theory of concerted electronic and nuclear flux densities associated with the vibration and dissociation of a multielectron nonrotating homonuclear diatomic molecule (or ion) in an electronic state 2S+1 Σ g,u + (JM = 00) is presented. The electronic population density, nuclear probability density, and nuclear flux density are isotropic. A theorem of Barth , presented in this issue, shows that the electronic flux density (EFD) is also isotropic. Hence, the evolving system appears as a pulsating, or exploding, "quantum bubble". Application of the theory to Na 2 vibrating in the double-minimum potential of the 2   1 Σ u + (JM = 00) excited state reveals that the EFD consists of two antagonistic components. One arises from electrons that flow essentially coherently with the nuclei. The other, which is oppositely directed (i.e., antagonistic) and more intense, is due to the transition in electronic structure from "Rydberg" to "ionic" type as the nuclei traverse the potential barrier between inner and outer potential wells. This "transition" component of the EFD rises and falls sharply as the nuclei cross the barrier.

  8. Exact vibration analysis of a double-nanobeam-systems embedded in an elastic medium by a Hamiltonian-based method

    Science.gov (United States)

    Zhou, Zhenhuan; Li, Yuejie; Fan, Junhai; Rong, Dalun; Sui, Guohao; Xu, Chenghui

    2018-05-01

    A new Hamiltonian-based approach is presented for finding exact solutions for transverse vibrations of double-nanobeam-systems embedded in an elastic medium. The continuum model is established within the frameworks of the symplectic methodology and the nonlocal Euler-Bernoulli and Timoshenko beam beams. The symplectic eigenfunctions are obtained after expressing the governing equations in a Hamiltonian form. Exact frequency equations, vibration modes and displacement amplitudes are obtained by using symplectic eigenfunctions and end conditions. Comparisons with previously published work are presented to illustrate the accuracy and reliability of the proposed method. The comprehensive results for arbitrary boundary conditions could serve as benchmark results for verifying numerically obtained solutions. In addition, a study on the difference between the nonlocal beam and the nonlocal plate is also included.

  9. An Intelligent Optimization Method for Vortex-Induced Vibration Reducing and Performance Improving in a Large Francis Turbine

    Directory of Open Access Journals (Sweden)

    Xuanlin Peng

    2017-11-01

    Full Text Available In this paper, a new methodology is proposed to reduce the vortex-induced vibration (VIV and improve the performance of the stay vane in a 200-MW Francis turbine. The process can be divided into two parts. Firstly, a diagnosis method for stay vane vibration based on field experiments and a finite element method (FEM is presented. It is found that the resonance between the Kármán vortex and the stay vane is the main cause for the undesired vibration. Then, we focus on establishing an intelligent optimization model of the stay vane’s trailing edge profile. To this end, an approach combining factorial experiments, extreme learning machine (ELM and particle swarm optimization (PSO is implemented. Three kinds of improved profiles of the stay vane are proposed and compared. Finally, the profile with a Donaldson trailing edge is adopted as the best solution for the stay vane, and verifications such as computational fluid dynamics (CFD simulations, structural analysis and fatigue analysis are performed to validate the optimized geometry.

  10. Excited-state intramolecular hydrogen transfer (ESIHT) of 1,8-Dihydroxy-9,10-anthraquinone (DHAQ) characterized by ultrafast electronic and vibrational spectroscopy and computational modeling

    KAUST Repository

    Mohammed, Omar F.

    2014-05-01

    We combine ultrafast electronic and vibrational spectroscopy and computational modeling to investigate the photoinduced excited-state intramolecular hydrogen-transfer dynamics in 1,8-dihydroxy-9,10-anthraquinone (DHAQ) in tetrachloroethene, acetonitrile, dimethyl sulfoxide, and methanol. We analyze the electronic excited states of DHAQ with various possible hydrogen-bonding schemes and provide a general description of the electronic excited-state dynamics based on a systematic analysis of femtosecond UV/vis and UV/IR pump-probe spectroscopic data. Upon photoabsorption at 400 nm, the S 2 electronic excited state is initially populated, followed by a rapid equilibration within 150 fs through population transfer to the S 1 state where DHAQ exhibits ESIHT dynamics. In this equilibration process, the excited-state population is distributed between the 9,10-quinone (S2) and 1,10-quinone (S1) states while undergoing vibrational energy redistribution, vibrational cooling, and solvation dynamics on the 0.1-50 ps time scale. Transient UV/vis pump-probe data in methanol also suggest additional relaxation dynamics on the subnanosecond time scale, which we tentatively ascribe to hydrogen bond dynamics of DHAQ with the protic solvent, affecting the equilibrium population dynamics within the S2 and S1 electronic excited states. Ultimately, the two excited singlet states decay with a solvent-dependent time constant ranging from 139 to 210 ps. The concomitant electronic ground-state recovery is, however, only partial because a large fraction of the population relaxes to the first triplet state. From the similarity of the time scales involved, we conjecture that the solvent plays a crucial role in breaking the intramolecular hydrogen bond of DHAQ during the S2/S1 relaxation to either the ground or triplet state. © 2014 American Chemical Society.

  11. 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...

  12. Prognostics Health Management of Electronic Systems Under Mechanical Shock and Vibration Using Kalman Filter Models and Metrics

    Data.gov (United States)

    National Aeronautics and Space Administration — Structural damage to ball grid array interconnects incurred during vibration testing has been monitored in the prefailure space using resistance spectroscopy-based...

  13. Children′s behavioral pain reactions during local anesthetic injection using cotton-roll vibration method compared with routine topical anesthesia: A randomized controlled trial

    Directory of Open Access Journals (Sweden)

    Ali Bagherian

    2016-01-01

    Conclusion: It may be concluded that the cotton-roll vibration method can be more helpful than the routine topical anesthesia in reducing behavioral pain reactions in children during local anesthesia administration.

  14. Recent developments of some asymptotic methods and their applications for nonlinear vibration equations in engineering problems: a review

    Directory of Open Access Journals (Sweden)

    Mahmoud Bayat

    Full Text Available This review features a survey of some recent developments in asymptotic techniques and new developments, which are valid not only for weakly nonlinear equations, but also for strongly ones. Further, the achieved approximate analytical solutions are valid for the whole solution domain. The limitations of traditional perturbation methods are illustrated, various modified perturbation techniques are proposed, and some mathematical tools such as variational theory, homotopy technology, and iteration technique are introduced to over-come the shortcomings.In this review we have applied different powerful analytical methods to solve high nonlinear problems in engineering vibrations. Some patterns are given to illustrate the effectiveness and convenience of the methodologies.

  15. N-propyl nitrate vibrational spectrum analysis using DFT B3LYP quantum-chemical method

    Science.gov (United States)

    Shaikhullina, R. M.; Hrapkovsky, G. M.; Shaikhullina, M. M.

    2018-05-01

    Calculation of a molecular structure, conformation and related vibrational spectra of the n- propyl nitrate C3H7NO3 was carried out by means of density functional theory (DFT) by employing the Gaussian 03 package. The molecular geometries were fully optimized by using the Becker's three-parameter hybrid exchange functional combined with the Lee–Yang–Parr correlation functional (B3LYP) and using the 6-31G(d) basis set. By scanning the dihedral angles around C-O and C-C bonds, five energetically most favorable conformers of n-propyl nitrate - TG, TT, GT, GG and G´G forms were found. Vibrational spectra of the most energetically favorable conformers were calculated. The comparative analysis of calculated and experimental spectra is carried out, the spectral features of the conformational state of n-propyl nitrate and the spectral effects of formation of intramolecular hydrogen bonds are established.

  16. Vibration study of a vehicle suspension assembly with the finite element method

    Science.gov (United States)

    Cătălin Marinescu, Gabriel; Castravete, Ştefan-Cristian; Dumitru, Nicolae

    2017-10-01

    The main steps of the present work represent a methodology of analysing various vibration effects over suspension mechanical parts of a vehicle. A McPherson type suspension from an existing vehicle was created using CAD software. Using the CAD model as input, a finite element model of the suspension assembly was developed. Abaqus finite element analysis software was used to pre-process, solve, and post-process the results. Geometric nonlinearities are included in the model. Severe sources of nonlinearities such us friction and contact are also included in the model. The McPherson spring is modelled as linear spring. The analysis include several steps: preload, modal analysis, the reduction of the model to 200 generalized coordinates, a deterministic external excitation, a random excitation that comes from different types of roads. The vibration data used as an input for the simulation were previously obtained by experimental means. Mathematical expressions used for the simulation were also presented in the paper.

  17. A method of noise reduction in heterodyne interferometric vibration metrology by combining auto-correlation analysis and spectral filtering

    Science.gov (United States)

    Hao, Hongliang; Xiao, Wen; Chen, Zonghui; Ma, Lan; Pan, Feng

    2018-01-01

    Heterodyne interferometric vibration metrology is a useful technique for dynamic displacement and velocity measurement as it can provide a synchronous full-field output signal. With the advent of cost effective, high-speed real-time signal processing systems and software, processing of the complex signals encountered in interferometry has become more feasible. However, due to the coherent nature of the laser sources, the sequence of heterodyne interferogram are corrupted by a mixture of coherent speckle and incoherent additive noise, which can severely degrade the accuracy of the demodulated signal and the optical display. In this paper, a new heterodyne interferometric demodulation method by combining auto-correlation analysis and spectral filtering is described leading to an expression for the dynamic displacement and velocity of the object under test that is significantly more accurate in both the amplitude and frequency of the vibrating waveform. We present a mathematical model of the signals obtained from interferograms that contain both vibration information of the measured objects and the noise. A simulation of the signal demodulation process is presented and used to investigate the noise from the system and external factors. The experimental results show excellent agreement with measurements from a commercial Laser Doppler Velocimetry (LDV).

  18. Methods of Analysis of Electronic Money in Banks

    Directory of Open Access Journals (Sweden)

    Melnychenko Oleksandr V.

    2014-03-01

    Full Text Available The article identifies methods of analysis of electronic money, formalises its instruments and offers an integral indicator, which should be calculated by issuing banks and those banks, which carry out operations with electronic money, issued by other banks. Calculation of the integral indicator would allow complex assessment of activity of the studied bank with electronic money and would allow comparison of parameters of different banks by the aggregate of indicators for the study of the electronic money market, its level of development, etc. The article presents methods which envisage economic analysis of electronic money in banks by the following directions: solvency and liquidity, efficiency of electronic money issue, business activity of the bank and social responsibility. Moreover, the proposed indicators by each of the directions are offered to be taken into account when building integral indicators, with the help of which banks are studied: business activity, profitability, solvency, liquidity and so on.

  19. Electron beam directed energy device and methods of using same

    Science.gov (United States)

    Retsky, Michael W.

    2007-10-16

    A method and apparatus is disclosed for an electron beam directed energy device. The device consists of an electron gun with one or more electron beams. The device includes one or more accelerating plates with holes aligned for beam passage. The plates may be flat or preferably shaped to direct each electron beam to exit the electron gun at a predetermined orientation. In one preferred application, the device is located in outer space with individual beams that are directed to focus at a distant target to be used to impact and destroy missiles. The aimings of the separate beams are designed to overcome Coulomb repulsion. A method is also presented for directing the beams to a target considering the variable terrestrial magnetic field. In another preferred application, the electron beam is directed into the ground to produce a subsurface x-ray source to locate and/or destroy buried or otherwise hidden objects including explosive devices.

  20. 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...

  1. Free vibration of symmetric angle ply truncated conical shells under different boundary conditions using spline method

    Energy Technology Data Exchange (ETDEWEB)

    Viswanathan, K. K.; Aziz, Z. A.; Javed, Saira; Yaacob, Y. [Universiti Teknologi Malaysia, Johor Bahru (Malaysia); Pullepu, Babuji [S R M University, Chennai (India)

    2015-05-15

    Free vibration of symmetric angle-ply laminated truncated conical shell is analyzed to determine the effects of frequency parameter and angular frequencies under different boundary condition, ply angles, different material properties and other parameters. The governing equations of motion for truncated conical shell are obtained in terms of displacement functions. The displacement functions are approximated by cubic and quintic splines resulting into a generalized eigenvalue problem. The parametric studies have been made and discussed.

  2. Free vibration of symmetric angle ply truncated conical shells under different boundary conditions using spline method

    International Nuclear Information System (INIS)

    Viswanathan, K. K.; Aziz, Z. A.; Javed, Saira; Yaacob, Y.; Pullepu, Babuji

    2015-01-01

    Free vibration of symmetric angle-ply laminated truncated conical shell is analyzed to determine the effects of frequency parameter and angular frequencies under different boundary condition, ply angles, different material properties and other parameters. The governing equations of motion for truncated conical shell are obtained in terms of displacement functions. The displacement functions are approximated by cubic and quintic splines resulting into a generalized eigenvalue problem. The parametric studies have been made and discussed.

  3. Vibrations control of light rail transportation vehicle via PID type fuzzy controller using parameters adaptive method

    OpenAIRE

    METİN, Muzaffer; GÜÇLÜ, Rahmi

    2014-01-01

    In this study, a conventional PID type fuzzy controller and parameter adaptive fuzzy controller are designed to control vibrations actively of a light rail transport vehicle which modeled as 6 degree-of-freedom system and compared performances of these two controllers. Rail vehicle model consists of a passenger seat and its suspension system, vehicle body, bogie, primary and secondary suspensions and wheels. The similarity between mathematical model and real system is shown by compar...

  4. Application of a robust vibration-based non-destructive method for detection of fatigue cracks in structures

    International Nuclear Information System (INIS)

    Razi, Pejman; Esmaeel, Ramadan A; Taheri, Farid

    2011-01-01

    This paper presents the application of a novel vibration-based technique for detecting fatigue cracks in structures. The method utilizes the empirical mode decomposition method (EMD) to establish an effective energy-based damage index. To investigate the feasibility of the method, fatigue cracks of different sizes were introduced in an aluminum beam subjected to a cyclic load under a three-point bending configuration. The vibration signals corresponding to the healthy and the damaged states of the beam were acquired via piezoceramic sensors. The signals were then processed by the proposed methodology to obtain the damage indices. In addition, for the sake of comparison, the frequency and damping analysis were performed on the test specimen. The results of this study concluded with two major observations. Firstly, the method was highly successful in not only predicting the presence of the fatigue crack, but also in quantifying its progression. Secondly, the proposed energy-based damage index was proved to be superior to the frequency-based methods in terms of sensitivity to the damage detection and quantification. As a result, this technique could be regarded as an efficient non-destructive tool, since it is simple, cost-effective and does not rely on analytical modeling of structures. In addition, the capability of the finite element method (FEM) in mimicking the experiments, and hence for consideration as an effective tool for conducting future parametric studies, was also investigated

  5. A Hybrid Finite Element-Fourier Spectral Method for Vibration Analysis of Structures with Elastic Boundary Conditions

    Directory of Open Access Journals (Sweden)

    Wan-You Li

    2014-01-01

    Full Text Available A novel hybrid method, which simultaneously possesses the efficiency of Fourier spectral method (FSM and the applicability of the finite element method (FEM, is presented for the vibration analysis of structures with elastic boundary conditions. The FSM, as one type of analytical approaches with excellent convergence and accuracy, is mainly limited to problems with relatively regular geometry. The purpose of the current study is to extend the FSM to problems with irregular geometry via the FEM and attempt to take full advantage of the FSM and the conventional FEM for structural vibration problems. The computational domain of general shape is divided into several subdomains firstly, some of which are represented by the FSM while the rest by the FEM. Then, fictitious springs are introduced for connecting these subdomains. Sufficient details are given to describe the development of such a hybrid method. Numerical examples of a one-dimensional Euler-Bernoulli beam and a two-dimensional rectangular plate show that the present method has good accuracy and efficiency. Further, one irregular-shaped plate which consists of one rectangular plate and one semi-circular plate also demonstrates the capability of the present method applied to irregular structures.

  6. Numerical simulation methods for electron and ion optics

    International Nuclear Information System (INIS)

    Munro, Eric

    2011-01-01

    This paper summarizes currently used techniques for simulation and computer-aided design in electron and ion beam optics. Topics covered include: field computation, methods for computing optical properties (including Paraxial Rays and Aberration Integrals, Differential Algebra and Direct Ray Tracing), simulation of Coulomb interactions, space charge effects in electron and ion sources, tolerancing, wave optical simulations and optimization. Simulation examples are presented for multipole aberration correctors, Wien filter monochromators, imaging energy filters, magnetic prisms, general curved axis systems and electron mirrors.

  7. Multilayer electronic component systems and methods of manufacture

    Science.gov (United States)

    Thompson, Dane (Inventor); Wang, Guoan (Inventor); Kingsley, Nickolas D. (Inventor); Papapolymerou, Ioannis (Inventor); Tentzeris, Emmanouil M. (Inventor); Bairavasubramanian, Ramanan (Inventor); DeJean, Gerald (Inventor); Li, RongLin (Inventor)

    2010-01-01

    Multilayer electronic component systems and methods of manufacture are provided. In this regard, an exemplary system comprises a first layer of liquid crystal polymer (LCP), first electronic components supported by the first layer, and a second layer of LCP. The first layer is attached to the second layer by thermal bonds. Additionally, at least a portion of the first electronic components are located between the first layer and the second layer.

  8. Efficient electronic structure methods applied to metal nanoparticles

    DEFF Research Database (Denmark)

    Larsen, Ask Hjorth

    of efficient approaches to density functional theory and the application of these methods to metal nanoparticles. We describe the formalism and implementation of localized atom-centered basis sets within the projector augmented wave method. Basis sets allow for a dramatic increase in performance compared....... The basis set method is used to study the electronic effects for the contiguous range of clusters up to several hundred atoms. The s-electrons hybridize to form electronic shells consistent with the jellium model, leading to electronic magic numbers for clusters with full shells. Large electronic gaps...... and jumps in Fermi level near magic numbers can lead to alkali-like or halogen-like behaviour when main-group atoms adsorb onto gold clusters. A non-self-consistent NewnsAnderson model is used to more closely study the chemisorption of main-group atoms on magic-number Au clusters. The behaviour at magic...

  9. A Unified Spectro-Geometric-Ritz Method for Vibration Analysis of Open and Closed Shells with Arbitrary Boundary Conditions

    Directory of Open Access Journals (Sweden)

    Dongyan Shi

    2016-01-01

    Full Text Available This paper presents free vibration analysis of open and closed shells with arbitrary boundary conditions using a spectro-geometric-Ritz method. In this method, regardless of the boundary conditions, each of the displacement components of open and closed shells is represented simultaneously as a standard Fourier cosine series and several auxiliary functions. The auxiliary functions are introduced to accelerate the convergence of the series expansion and eliminate all the relevant discontinuities with the displacement and its derivatives at the boundaries. The boundary conditions are modeled using the spring stiffness technique. All the expansion coefficients are treated equally and independently as the generalized coordinates and determined using Rayleigh-Ritz method. By using this method, a unified vibration analysis model for the open and closed shells with arbitrary boundary conditions can be established without the need of changing either the equations of motion or the expression of the displacement components. The reliability and accuracy of the proposed method are validated with the FEM results and those from the literature.

  10. Determination of the Electronics Charge--Electrolysis of Water Method.

    Science.gov (United States)

    Venkatachar, Arun C.

    1985-01-01

    Presents an alternative method for measuring the electronic charge using data from the electrolysis of acidified distilled water. The process (carried out in a commercially available electrolytic cell) has the advantage of short completion time so that students can determine electron charge and mass in one laboratory period. (DH)

  11. Statistics of electron multiplication in multiplier phototube: iterative method

    International Nuclear Information System (INIS)

    Grau Malonda, A.; Ortiz Sanchez, J.F.

    1985-01-01

    An iterative method is applied to study the variation of dynode response in the multiplier phototube. Three different situations are considered that correspond to the following ways of electronic incidence on the first dynode: incidence of exactly one electron, incidence of exactly r electrons and incidence of an average anti-r electrons. The responses are given for a number of steps between 1 and 5, and for values of the multiplication factor of 2.1, 2.5, 3 and 5. We study also the variance, the skewness and the excess of jurtosis for different multiplication factors. (author)

  12. Statistics of electron multiplication in a multiplier phototube; Iterative method

    International Nuclear Information System (INIS)

    Ortiz, J. F.; Grau, A.

    1985-01-01

    In the present paper an iterative method is applied to study the variation of dynode response in the multiplier phototube. Three different situation are considered that correspond to the following ways of electronic incidence on the first dynode: incidence of exactly one electron, incidence of exactly r electrons and incidence of an average r electrons. The responses are given for a number of steps between 1 and 5, and for values of the multiplication factor of 2.1, 2.5, 3 and 5. We study also the variance, the skewness and the excess of jurtosis for different multiplication factors. (Author) 11 refs

  13. Electron microscopy methods in studies of cultural heritage sites

    Energy Technology Data Exchange (ETDEWEB)

    Vasiliev, A. L., E-mail: a.vasiliev56@gmail.com; Kovalchuk, M. V.; Yatsishina, E. B. [National Research Centre “Kurchatov Institute” (Russian Federation)

    2016-11-15

    The history of the development and application of scanning electron microscopy (SEM), transmission electron microscopy (TEM), and energy-dispersive X-ray microanalysis (EDXMA) in studies of cultural heritage sites is considered. In fact, investigations based on these methods began when electron microscopes became a commercial product. Currently, these methods, being developed and improved, help solve many historical enigmas. To date, electron microscopy combined with microanalysis makes it possible to investigate any object, from parchment and wooden articles to pigments, tools, and objects of art. Studies by these methods have revealed that some articles were made by ancient masters using ancient “nanotechnologies”; hence, their comprehensive analysis calls for the latest achievements in the corresponding instrumental methods and sample preparation techniques.

  14. Several cases of electronics and the measuring methods

    International Nuclear Information System (INIS)

    Supardiyono, Bb.; Kamadi, J.; Suparmono, M.; Indarto.

    1980-01-01

    Several cases of electronics and the measuring methods, covering electric conductivity and electric potential of analog systems, electric current, electric conductivity and electric potential of semiconductor diodes, and characteristics of transistors are described. (SMN)

  15. Electron microscopy methods in studies of cultural heritage sites

    Science.gov (United States)

    Vasiliev, A. L.; Kovalchuk, M. V.; Yatsishina, E. B.

    2016-11-01

    The history of the development and application of scanning electron microscopy (SEM), transmission electron microscopy (TEM), and energy-dispersive X-ray microanalysis (EDXMA) in studies of cultural heritage sites is considered. In fact, investigations based on these methods began when electron microscopes became a commercial product. Currently, these methods, being developed and improved, help solve many historical enigmas. To date, electron microscopy combined with microanalysis makes it possible to investigate any object, from parchment and wooden articles to pigments, tools, and objects of art. Studies by these methods have revealed that some articles were made by ancient masters using ancient "nanotechnologies"; hence, their comprehensive analysis calls for the latest achievements in the corresponding instrumental methods and sample preparation techniques.

  16. Electron microscopy methods in studies of cultural heritage sites

    International Nuclear Information System (INIS)

    Vasiliev, A. L.; Kovalchuk, M. V.; Yatsishina, E. B.

    2016-01-01

    The history of the development and application of scanning electron microscopy (SEM), transmission electron microscopy (TEM), and energy-dispersive X-ray microanalysis (EDXMA) in studies of cultural heritage sites is considered. In fact, investigations based on these methods began when electron microscopes became a commercial product. Currently, these methods, being developed and improved, help solve many historical enigmas. To date, electron microscopy combined with microanalysis makes it possible to investigate any object, from parchment and wooden articles to pigments, tools, and objects of art. Studies by these methods have revealed that some articles were made by ancient masters using ancient “nanotechnologies”; hence, their comprehensive analysis calls for the latest achievements in the corresponding instrumental methods and sample preparation techniques.

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

    Directory of Open Access Journals (Sweden)

    Sang-Wook Kang

    2016-03-01

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

  18. A Modified Kirchhoff plate theory for Free Vibration analysis of functionally graded material plates using meshfree method

    Science.gov (United States)

    Nguyen Van Do, Vuong

    2018-04-01

    In this paper, a modified Kirchhoff theory is presented for free vibration analyses of functionally graded material (FGM) plate based on modified radial point interpolation method (RPIM). The shear deformation effects are taken account into modified theory to ignore the locking phenomenon of thin plates. Due to the proposed refined plate theory, the number of independent unknowns reduces one variable and exists with four degrees of freedom per node. The simulated free vibration results employed by the modified RPIM are compared with the other analytical solutions to verify the effectiveness and the accuracy of the developed mesh-free method. Detail parametric studies of the proposed method are then conducted including the effectiveness of thickness ratio, boundary condition and material inhomogeneity on the sample problems of square plates. Results illustrated that the modified mesh-free RPIM can effectively predict the numerical calculation as compared to the exact solutions. The obtained numerical results are indicated that the proposed method are stable and well accurate prediction to evaluate with other published analyses.

  19. Method of determining the position of an irradiated electron beam

    International Nuclear Information System (INIS)

    Fukuda, Wataru.

    1967-01-01

    The present invention relates to the method of determining the position of a radiated electron beam, in particular, the method of detecting the position of a p-n junction by a novel method when irradiating the electron beam on to the semi-conductor wafer, controlling the position of the electron beam from said junction. When the electron beam is irradiated on to the semi-conductor wafer which possesses the p-n junction, the position of the p-n junction may be ascertained to determine the position of the irradiated electron beam by detecting the electromotive force resulting from said p-n junction with a metal disposed in the proximity of but without mechanical contact with said semi-conductor wafer. Furthermore, as far as a semi-conductor wafer having at least one p-n junction is concerned, the present invention allows said p-n junction to be used to determine the position of an irradiated electron beam. Thus, according to the present invention, the electromotive force of the electron beam resulting from the p-n junction may easily be detected by electrostatic coupling, enabling the position of the irradiated electron beam to be accurately determined. (Masui, R.)

  20. Development of evaluation method on flow-induced vibration and corrosion of components in two-phase flow by coupled analysis. 1. Evaluation of effects of flow-induced vibration on structural material integrity

    International Nuclear Information System (INIS)

    Naitoh, Masanori; Uchida, Shunsuke; Koshizuka, Seiichi; Ninokata, Hisashi; Anahara, Naoki; Dosaki, Koji; Katono, Kenichi; Akiyama, Minoru; Saitoh, Hiroaki

    2007-01-01

    Problems in major components and structural materials in nuclear power plants have often been caused by flow induced vibration, corrosion and their overlapping effects. In order to establish safe and reliable plant operation, it is necessary to predict future problems for structural materials based on combined analyses of flow dynamics and corrosion and to mitigate them before they become serious issues for plant operation. An innovative method for flow induced vibration of structures in two phase flow by combined analyses of three dimensional flow dynamics and structures is to be introduced. (author)

  1. Flux-line response in 2H-NbSe 2 investigated by means of the vibrating superconductor method

    Science.gov (United States)

    D'Anna, G.; André, M.-O.; Benoit, W.; Rodríguez, E.; Rodríguez, D. S.; Luzuriaga, J.; Wasczak, J. V.

    1993-12-01

    We measure transverse AC losses in the low- and high-amplitude regime of 2H-NbSe 2 single crystals using vibrating superconductor methods. The measurements are sensitive to small deviations of the critical state. The data constitute evidence for a peak effect of the critical current as a function of the temperature in this compound. We construct in the H- T phase diagram the “peak-effect” line which is supposed to mark an abrupt cross-over in the vortex-pinning regime.

  2. A quality control method by ultrasonic vibration energy and diagnosis system at trimming process

    International Nuclear Information System (INIS)

    Suh, Chang Min; Song, Gil Ho; Pyoun, Young Shik

    2007-01-01

    In this paper, the characteristics in mechanical properties of ultrasonic cold forging treatment (UCFT) used for the trimming knife and the effects of ultrasonic vibration energy (UVE) into the trimming process on the state of the strip cutting face were studied. And a diagnosis system to quality control for trimming knife and strip cutting face was developed and installed in plant. By the plant application of UCFT, service life of knife was more increased over 100% than that of conventional knife and using the developed diagnosis system, the knife breakage and saw ear have been perfectly detected and quality control of trimming face is effectively obtained

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-02-15

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

  4. Vision-based measurement system for structural vibration monitoring using non-projection quasi-interferogram fringe density enhanced by spectrum correction method

    International Nuclear Information System (INIS)

    Zhong, Jianfeng; Zhong, Shuncong; Zhang, Qiukun; Lu, Huancai; Zhuang, Yizhou; Fu, Xinbin

    2017-01-01

    A non-projection fringe vision measurement system suitable for vibration monitoring was proposed by using the concept of a 2D optical coherence vibration tomography (2D-OCVT) technique. An artificial quasi-interferogram fringe pattern (QIFP), similar to the interferogram of the 2D-OCVT system, was pasted onto the surface of a vibrating structure as a sensor. Image sequences of the QIFP were captured by a high-speed CMOS camera that worked as a detector. It was possible to obtain both the in-plane and out-of-plane vibration simultaneously. The in-plane vibration was obtained by tracking the center of the imaged QIFP using an image cross-correlation method, whilst the out-of-plane vibration was obtained from the changes in period density of the imaged QIFP. The influence of the noise sources from the CMOS image sensor, together with the effect of the imaging distance, the period density of the QIFP and also the key parameters of the fringe density enhanced by the spectrum correction method on the accuracy of the displacement measurement, were investigated by numerical simulations and experiments. Compared with the results from a conventional accelerometer-based measurement system, the proposed method was demonstrated to be an effective and accurate technique for measuring structural vibration without introducing any extra mass from the accelerometer. The significant advantages of this method include its simple installation and real-time dynamic response measurement capability, making the measurement system ideal for the low- and high-frequency vibration monitoring of engineering structures. (paper)

  5. Methods for recovering metals from electronic waste, and related systems

    Science.gov (United States)

    Lister, Tedd E; Parkman, Jacob A; Diaz Aldana, Luis A; Clark, Gemma; Dufek, Eric J; Keller, Philip

    2017-10-03

    A method of recovering metals from electronic waste comprises providing a powder comprising electronic waste in at least a first reactor and a second reactor and providing an electrolyte comprising at least ferric ions in an electrochemical cell in fluid communication with the first reactor and the second reactor. The method further includes contacting the powders within the first reactor and the second reactor with the electrolyte to dissolve at least one base metal from each reactor into the electrolyte and reduce at least some of the ferric ions to ferrous ions. The ferrous ions are oxidized at an anode of the electrochemical cell to regenerate the ferric ions. The powder within the second reactor comprises a higher weight percent of the at least one base metal than the powder in the first reactor. Additional methods of recovering metals from electronic waste are also described, as well as an apparatus of recovering metals from electronic waste.

  6. A simultaneous electron energy and dosimeter calibration method for an electron beam irradiator

    International Nuclear Information System (INIS)

    Tanaka, R.; Sunaga, H.; Kojima, T.

    1991-01-01

    In radiation processing using electron accelerators, the reproducibility of absorbed dose in the product depends not only on the variation of beam current and conveyor speed, but also on variations of other accelerator parameters. This requires routine monitoring of the beam current and the scan width, and also requires periodical calibration of routine dosimeters usually in the shape of film, electron energy, and other radiation field parameters. The electron energy calibration is important especially for food processing. The dose calibration method using partial absorption calorimeters provides only information about absorbed dose. Measurement of average electron current density provides basic information about the radiation field formed by the beam scanning and scattering at the beam window, though it does not allow direct dose calibration. The total absorption calorimeter with a thick absorber allows dose and dosimeter calibration, if the depth profile of relative dose in a reference absorber is given experimentally. It also allows accurate calibration of the average electron energy at the surface of the calorimeter core, if electron fluence received by the calorimeter is measured at the same time. This means that both electron energy and dosimeters can be simultaneously calibrated by irradiation of a combined system including the calorimeter, the detector of the electron current density meter, and a thick reference absorber for depth profile measurement of relative dose. We have developed a simple and multifunctional system using the combined calibration method for 5 MeV electron beams. The paper describes a simultaneous calibration method for electron energy and film dosimeters, and describes the electron current density meter, the total absorption calorimeter, and the characteristics of this method. (author). 13 refs, 7 figs, 3 tabs

  7. Probing electron density of H-bonding between cation-anion of imidazolium-based ionic liquids with different anions by vibrational spectroscopy.

    Science.gov (United States)

    Gao, Yan; Zhang, Liqun; Wang, Yong; Li, Haoran

    2010-03-04

    Attenuated total reflection infrared spectroscopy and density functional theory calculation have been employed to study the spectral properties of imidazolium-based ionic liquids (ILs) with different anions. ILs based on 1-butyl-3-methylimidazolium cation with different anions, OH(-), CF(3)CO(2)(-), HSO(4)(-), H(2)PO(4)(-), Cl(-), PF(6)(-), and BF(4)(-), are investigated in the present work. It has been shown that the C(2)-H stretching vibration of the imidazolium ring is closely related to the electron density of H-bonding between the two closest cations and anions for pure ILs. The electron density of H-bonding between cation and anion with different anions decreases in the order [OH](-) > [H(2)PO(4)](-) > [HSO(4)](-) > [CF(3)CO(2)](-) > [Cl](-) > [BF(4)](-) > [PF(6)](-). For aqueous ILs, with increasing water content, the aromatic C-H stretching vibration of the imidazolium cation showed systematic blue-shifts. Especially for BmimOH, the nu(C(2))(-H) undergoes a drastic blue-shift by 58 cm(-1), suggesting that the formation of the strong hydrogen bonds O-H...O may greatly weaken the electron density of H-bonding between the cation and anion of ILs.

  8. Evaluation of the structural, electronic, topological and vibrational properties of N-(3,4-dimethoxybenzyl)-hexadecanamide isolated from Maca (Lepidium meyenii) using different spectroscopic techniques

    Science.gov (United States)

    Chain, Fernando; Iramain, Maximiliano Alberto; Grau, Alfredo; Catalán, César A. N.; Brandán, Silvia Antonia

    2017-01-01

    N-(3,4-dimethoxybenzyl)-hexadecanamide (DMH) was characterized by using Fourier Transform infrared (FT-IR) and Raman (FT-Raman), Ultraviolet- Visible (UV-Visible) and Hydrogen and Carbon Nuclear Magnetic Resonance (1H and 13C NMR) spectroscopies. The structural, electronic, topological and vibrational properties were evaluated in gas phase and in n-hexane employing ONIOM and self-consistent force field (SCRF) calculations. The atomic charges, molecular electrostatic potentials, stabilization energies and topological properties of DMH were analyzed and compared with those calculated for N-(3,4-dimethoxybenzyl)-acetamide (DMA) in order to evaluate the effect of the side chain on the properties of DMH. The reactivity and behavior of this alkamide were predicted by using the gap energies and some descriptors. Force fields and the corresponding force constants were reported for DMA only in gas phase and n-hexane due to the high number of vibration normal modes showed by DMH, while the complete vibrational assignments are presented for DMA and both forms of DMH. The comparisons between the experimental FTIR, FT-Raman, UV-Visible and 1H and 13C NMR spectra with the corresponding theoretical ones showed a reasonable concordance.

  9. Vibrational, structural and electronic properties investigation by DFT calculations and molecular docking studies with DNA topoisomerase II of strychnobrasiline type alkaloids: A theoretical approach for potentially bioactive molecules

    Science.gov (United States)

    Costa, Renyer A.; Oliveira, Kelson M. T.; Costa, Emmanoel Vilaça; Pinheiro, Maria L. B.

    2017-10-01

    A combined experimental and theoretical DFT study of the structural, vibrational and electronic properties of strychnobrasiline and 12-hydroxy-10,11-dimethoxystrychnobrasiline is presented using the Becke three-parameter Lee-Yang-Parr function (B3LYP) and 6-311G(2d,p) basis set. The theoretical geometry optimization data were compared with the X-ray data for a similar structure in the associated literature, showing close values. The calculated HOMO-LUMO gap values showed that the presence of substituents in the benzene ring influences the quantum properties which are directly related to the reactive properties. Theoretical UV spectra agreed well with the measured experimental data, with bands assigned. In addition, Natural Bond Orbitals (NBOs), Mapped molecular electrostatic potential surface (MEPS) and NLO calculations were also performed at the same theory level. The theoretical vibrational analysis revealed several characteristic vibrations that may be used as a diagnostic tool for other strychnobrasiline type alkaloids, simplifying their identification and structural characterization. Molecular docking calculations with DNA Topoisomerase II-DNA complex showed binding free energies values of -8.0 and -9.5 kcal/mol for strychnobrasiline and 12-hydroxy-10,11-dimethoxystrychnobrasiline respectively, while for amsacrine, used for the treatment of leukemia, the binding free energy ΔG presented a value of -10.0 kcal/mol, suggesting that strychnobrasiline derivative alkaloids might exhibit an antineoplastic activity.

  10. New Method to Study the Vibrational Modes of Biomolecules in the Terahertz Range Based on a Single-Stage Raman Spectrometer.

    Science.gov (United States)

    Kalanoor, Basanth S; Ronen, Maria; Oren, Ziv; Gerber, Doron; Tischler, Yaakov R

    2017-03-31

    The low-frequency vibrational (LFV) modes of biomolecules reflect specific intramolecular and intermolecular thermally induced fluctuations that are driven by external perturbations, such as ligand binding, protein interaction, electron transfer, and enzymatic activity. Large efforts have been invested over the years to develop methods to access the LFV modes due to their importance in the studies of the mechanisms and biological functions of biomolecules. Here, we present a method to measure the LFV modes of biomolecules based on Raman spectroscopy that combines volume holographic filters with a single-stage spectrometer, to obtain high signal-to-noise-ratio spectra in short acquisition times. We show that this method enables LFV mode characterization of biomolecules even in a hydrated environment. The measured spectra exhibit distinct features originating from intra- and/or intermolecular collective motion and lattice modes. The observed modes are highly sensitive to the overall structure, size, long-range order, and configuration of the molecules, as well as to their environment. Thus, the LFV Raman spectrum acts as a fingerprint of the molecular structure and conformational state of a biomolecule. The comprehensive method we present here is widely applicable, thus enabling high-throughput study of LFV modes of biomolecules.

  11. An insight into the structure, vibrations, electronic and reactivity properties of the tautomers 1-(diaminomethylene)thiourea and 2-imino-4-thiobiuret

    Science.gov (United States)

    Arjunan, V.; Anitha, R.; Durgadevi, G.; Marchewka, M. K.; Mohan, S.

    2017-04-01

    The conformational analysis of 1-(diaminomethylene)thiourea (MTU) has been done to find out the more stable conformer. The more stable geometry of MTU and 2-imino-4-thiobiuret (ITB) are optimised with B3LYP method using 6-311++G** and cc-pVTZ basis sets. The molecules are not planar. The complete molecular structural parameters and thermodynamic properties of the optimised geometry have been determined. The molecule of MTU is not a planar but twisted. The MEP of MTU lies in the region from +1.175e × 10-2 to -1.175e × 10-2 while the total electron density spread between +6.371e × 10-2 and -6.371e × 10-2. The MEP of ITB distributed between +1.179e × 10-2 and -1.179e × 10-2 while the total electron density of ITB lies in the region +7.729e × 10-2 and -7.729e × 10-2. The energies of important MOs of the compound were also evaluated from DFT method. The LUMO shows that the nitrogen and sulphur atoms are the most nucleophilic attacking sites whereas the HOMO reveals that nitrogen, sulphur and carbon atoms are for the electrophilic substitutions. The vibrational frequencies of the fundamental modes of the compounds have been precisely assigned, analysed and the theoretical results were compared with the experimental wavenumbers. 1H and 13C NMR isotropic chemical shifts were determined and the assignments are compared with the experimental values. In MTU molecule, the n → π* transitions such as n(N5) → π*C4-S6 and n(N1) → π*C2-N3 interactions are strongly stabilised by 66.60 and 41.24 kcal mol-1, respectively. In the case of ITB compound, the stabilisation energy of lone pair donor orbital, n(N5) → σ*C4-S6 is 46.03 kcal mol-1. The dual descriptors Δfk, Δsk and Δωk values clearly indicate that the order of nucleophilic attack in MTU is S6 > N11 > N1 > N5 > N3 while in ITB the order follows as N1 > N11 > N5>S6 > N3.

  12. An electron moiré method for a common SEM

    Institute of Scientific and Technical Information of China (English)

    Y.M.Xing; S.Kishimoto; Y.R.Zhao

    2006-01-01

    In the electron moiré method,a high-frequency grating is used to measure microscopic deformation,which promises significant potential applications for the method in the microscopic analysis of materials.However,a special beam scanning control device is required to produce a grating and generate a moiré fringe pattern for the scanning electron microscope (SEM).Because only a few SEMs used in the material science studies are equipped with this device,the use of the electron moiré method is limited.In this study,an electron moiré method for a common SEM without the beam control device is presented.A grating based on a multi-scanning concept is fabricated in any observing mode.A real-time moiré pattern can also be generated in the SEM or an optical filtering system.Without the beam control device being a prerequisite,the electron moiré method can be more widely used.The experimental results from three different types of SEMS show that high quality gratings with uniform lines and less pitch error can be fabricated by this method,and moiré patterns can also be correctly generated.

  13. 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.

  14. Vibration analysis of Euler-Bernoulli beam with open cracks on elastic foundations using differential transformation method and generalized differential quadrature method

    International Nuclear Information System (INIS)

    Shin, Young Jae; Hwang, Ki Sup; Yun, Jong Hak

    2006-01-01

    The main purpose of this paper is to apply Differential Transformation Method(DTM) and Generalized Differential Quadrature Method(GDQM) to vibration analysis of Euler-Bernoulli beam with open cracks on elastic foundation. In this paper the concepts of DTM and GDQM were briefly introduced. The governing equation of motion of the beam with open cracks on elastic foundation is derived. The cracks are modeled by massless substitute spring. The effects of the crack location, size and the foundation constants, on the natural frequencies of the beam, are investigated. Numerical calculations are carried out and compared with previous published results

  15. Electron paramagnetic resonance: A new method of quaternary dating

    International Nuclear Information System (INIS)

    Poupeau, G.; Rossi, A.; Teles, M.M.; Danon, J.

    1984-01-01

    Significant progress has occurred in the last years in quaternary geochronology. One of this is the emergence of a new dating approach, the Electron Spin Resonance Method. The aim of this paper is to briefly review the method and discuss some aspects of the work at CBPF. (Author) [pt

  16. Electron paramagnetic resonance: a new method of quaternary dating

    International Nuclear Information System (INIS)

    Poupeau, G.; Rossi, A.; Universidade Federal Rural do Rio de Janeiro; Telles, M.; Danon, J.

    1984-01-01

    Significant progress has occurred in the last years in quaternary geochronology. One of this is the emergence of a new dating approach, the Electron Spin Resonance Method. The aim of this paper is to briefly review the method and discuss some aspects of the work at CBPF. (Author) [pt

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

    Science.gov (United States)

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

    2013-01-01

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

  18. System and method for damping vibration in a drill string using a magnetorheological damper

    Science.gov (United States)

    Wassell, Mark Ellsworth; Burgess, Daniel E.; Barbely, Jason R.; Thompson, Fred Lamar

    2018-05-22

    A system for damping vibration in a drill string can include a magnetorheological fluid valve assembly having a supply of a magnetorheological fluid. A remanent magnetic field is induced in the valve during operation that can be used to provide the magnetic field for operating the valve so as to eliminate the need to energize the coils except temporarily when changing the amount of damping required. The current to be supplied to the coil for inducing a desired magnetic field in the valve is determined based on the limiting hysteresis curve of the valve and the history of the magnetization of the value using a binary search methodology. The history of the magnetization of the valve is expressed as a series of sets of current and it resulting magnetization at which the current experienced a reversal compared to prior values of the current.

  19. Apparatus and method for generating high density pulses of electrons

    International Nuclear Information System (INIS)

    Lee, C.; Oettinger, P.E.

    1981-01-01

    An apparatus and method are described for the production of high density pulses of electrons using a laser energized emitter. Caesium atoms from a low pressure vapour atmosphere are absorbed on and migrate from a metallic target rapidly heated by a laser to a high temperature. Due to this heating time being short compared with the residence time of the caesium atoms adsorbed on the target surface, copious electrons are emitted which form a high current density pulse. (U.K.)

  20. Identification of Natural Frequency of Low Rise Building on Soft Ground Profile using Ambient Vibration Method

    Science.gov (United States)

    Kamarudin, A. F.; Zainal Abidin, M. H.; Mokhatar, S. N.; Daud, M. E.; Ibrahim, A.; Ibrahim, Z.; Noh, M. S. Md

    2018-04-01

    Natural frequency is the rate at which a body to vibrate or oscillate. Application of ambient vibration (AV) excitation is widely used nowadays as the input motion for building predominant frequency, fo, and ground fundamental frequency, Fo, prediction due to simple, fast, non-destructive, simple handling operation and reliable result. However, it must be emphasized and caution to isolate these frequencies (fo and Fo) from spurious frequencies of site-structure effects especially to low rise building on soft ground deposit. In this study, identification of fo and Fo by using AV measurements were performed on ground and 4-storey primary school reinforced concrete (RC) building at Sekolah Kebangsaan (SK) Sg. Tongkang, Rengit, Johor using 1 Hz of tri-axial seismometer sensor. Overlapping spectra between Fourier Amplitude Spectra (FAS) from and Horizontal to Vertical Spectra Ratio (HVSR) were used to distinguish respective frequencies of building and ground natural frequencies. Three dominant frequencies were identified from the FAS curves at 1.91 Hz, 1.98 Hz and 2.79 Hz in longitudinal (East West-EW), transverse (North South-NS) and vertical (UD) directions. It is expected the building has deformed in translational mode based on the first peak frequency by respective NS and EW components of FAS spectrum. Vertical frequency identified from the horizontal spectrums, might induces to the potential of rocking effect experienced by the school building. Meanwhile, single peak HVSR spectrum at low ground fundamental frequency concentrated at 0.93 Hz indicates to the existence deep contrast of soft deposit. Strong interaction between ground and building at similar frequency (0.93 Hz) observed from the FAS curves on the highest floor has shown the building to behave as a dependent unit against ground response as one rigid mass.