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Sample records for vibrational normal modes

  1. Normal modes of vibration in nickel

    Energy Technology Data Exchange (ETDEWEB)

    Birgeneau, R J [Yale Univ., New Haven, Connecticut (United States); Cordes, J [Cambridge Univ., Cambridge (United Kingdom); Dolling, G; Woods, A D B

    1964-07-01

    The frequency-wave-vector dispersion relation, {nu}(q), for the normal vibrations of a nickel single crystal at 296{sup o}K has been measured for the [{zeta}00], [{zeta}00], [{zeta}{zeta}{zeta}], and [0{zeta}1] symmetric directions using inelastic neutron scattering. The results can be described in terms of the Born-von Karman theory of lattice dynamics with interactions out to fourth-nearest neighbors. The shapes of the dispersion curves are very similar to those of copper, the normal mode frequencies in nickel being about 1.24 times the corresponding frequencies in copper. The fourth-neighbor model was used to calculate the frequency distribution function g({nu}) and related thermodynamic properties. (author)

  2. Vocal fold contact patterns based on normal modes of vibration.

    Science.gov (United States)

    Smith, Simeon L; Titze, Ingo R

    2018-05-17

    The fluid-structure interaction and energy transfer from respiratory airflow to self-sustained vocal fold oscillation continues to be a topic of interest in vocal fold research. Vocal fold vibration is driven by pressures on the vocal fold surface, which are determined by the shape of the glottis and the contact between vocal folds. Characterization of three-dimensional glottal shapes and contact patterns can lead to increased understanding of normal and abnormal physiology of the voice, as well as to development of improved vocal fold models, but a large inventory of shapes has not been directly studied previously. This study aimed to take an initial step toward characterizing vocal fold contact patterns systematically. Vocal fold motion and contact was modeled based on normal mode vibration, as it has been shown that vocal fold vibration can be almost entirely described by only the few lowest order vibrational modes. Symmetric and asymmetric combinations of the four lowest normal modes of vibration were superimposed on left and right vocal fold medial surfaces, for each of three prephonatory glottal configurations, according to a surface wave approach. Contact patterns were generated from the interaction of modal shapes at 16 normalized phases during the vibratory cycle. Eight major contact patterns were identified and characterized by the shape of the flow channel, with the following descriptors assigned: convergent, divergent, convergent-divergent, uniform, split, merged, island, and multichannel. Each of the contact patterns and its variation are described, and future work and applications are discussed. Copyright © 2018 Elsevier Ltd. All rights reserved.

  3. "Good Vibrations": A workshop on oscillations and normal modes

    Science.gov (United States)

    Barbieri, Sara; Carpineti, Marina; Giliberti, Marco; Rigon, Enrico; Stellato, Marco; Tamborini, Marina

    2016-05-01

    We describe some theatrical strategies adopted in a two hour workshop in order to show some meaningful experiments and the underlying useful ideas to describe a secondary school path on oscillations, that develops from harmonic motion to normal modes of oscillations, and makes extensive use of video analysis, data logging, slow motions and applet simulations. Theatre is an extremely useful tool to stimulate motivation starting from positive emotions. That is the reason why the theatrical approach to the presentation of physical themes has been explored by the group "Lo spettacolo della Fisica" (http://spettacolo.fisica.unimi.it) of the Physics Department of University of Milano for the last ten years (Carpineti et al., JCOM, 10 (2011) 1; Nuovo Cimento B, 121 (2006) 901) and has been inserted also in the European FP7 Project TEMI (Teaching Enquiry with Mysteries Incorporated, see http://teachingmysteries.eu/en) which involves 13 different partners coming from 11 European countries, among which the Italian (Milan) group. According to the TEMI guidelines, this workshop has a written script based on emotionally engaging activities of presenting mysteries to be solved while participants have been involved in nice experiments following the developed path.

  4. A Pictorial Visualization of Normal Mode Vibrations of the Fullerene (C[subscript 60]) Molecule in Terms of Vibrations of a Hollow Sphere

    Science.gov (United States)

    Dunn, Janette L.

    2010-01-01

    Understanding the normal mode vibrations of a molecule is important in the analysis of vibrational spectra. However, the complicated 3D motion of large molecules can be difficult to interpret. We show how images of normal modes of the fullerene molecule C[subscript 60] can be made easier to understand by superimposing them on images of the normal…

  5. Nonlinear normal vibration modes in the dynamics of nonlinear elastic systems

    International Nuclear Information System (INIS)

    Mikhlin, Yu V; Perepelkin, N V; Klimenko, A A; Harutyunyan, E

    2012-01-01

    Nonlinear normal modes (NNMs) are a generalization of the linear normal vibrations. By the Kauderer-Rosenberg concept in the regime of the NNM all position coordinates are single-values functions of some selected position coordinate. By the Shaw-Pierre concept, the NNM is such a regime when all generalized coordinates and velocities are univalent functions of a couple of dominant (active) phase variables. The NNMs approach is used in some applied problems. In particular, the Kauderer-Rosenberg NNMs are analyzed in the dynamics of some pendulum systems. The NNMs of forced vibrations are investigated in a rotor system with an isotropic-elastic shaft. A combination of the Shaw-Pierre NNMs and the Rauscher method is used to construct the forced NNMs and the frequency responses in the rotor dynamics.

  6. Identification of surface species by vibrational normal mode analysis. A DFT study

    Science.gov (United States)

    Zhao, Zhi-Jian; Genest, Alexander; Rösch, Notker

    2017-10-01

    Infrared spectroscopy is an important experimental tool for identifying molecular species adsorbed on a metal surface that can be used in situ. Often vibrational modes in such IR spectra of surface species are assigned and identified by comparison with vibrational spectra of related (molecular) compounds of known structure, e. g., an organometallic cluster analogue. To check the validity of this strategy, we carried out a computational study where we compared the normal modes of three C2Hx species (x = 3, 4) in two types of systems, as adsorbates on the Pt(111) surface and as ligands in an organometallic cluster compound. The results of our DFT calculations reproduce the experimental observed frequencies with deviations of at most 50 cm-1. However, the frequencies of the C2Hx species in both types of systems have to be interpreted with due caution if the coordination mode is unknown. The comparative identification strategy works satisfactorily when the coordination mode of the molecular species (ethylidyne) is similar on the surface and in the metal cluster. However, large shifts are encountered when the molecular species (vinyl) exhibits different coordination modes on both types of substrates.

  7. Resonant and kinematical enhancement of He scattering from LiF(001) surface and pseudosurface vibrational normal modes

    International Nuclear Information System (INIS)

    Nichols, W.L.; Weare, J.H.

    1986-01-01

    One-phonon cross sections calculated from sagittally polarized vibrational normal modes account for most salient inelastic-scattering intensities seen in He-LiF(001) and measurements published by Brusdeylins, Doak, and Toennies. We have found that most inelastic intensities which cannot be attributed to potential resonances can be explained as kinematically enhanced scattering from both surface and pseudosurface bulk modes

  8. Instantaneous normal mode analysis for intermolecular and intramolecular vibrations of water from atomic point of view.

    Science.gov (United States)

    Chen, Yu-Chun; Tang, Ping-Han; Wu, Ten-Ming

    2013-11-28

    By exploiting the instantaneous normal mode (INM) analysis for models of flexible molecules, we investigate intermolecular and intramolecular vibrations of water from the atomic point of view. With two flexible SPC/E models, our investigations include three aspects about their INM spectra, which are separated into the unstable, intermolecular, bending, and stretching bands. First, the O- and H-atom contributions in the four INM bands are calculated and their stable INM spectra are compared with the power spectra of the atomic velocity autocorrelation functions. The unstable and intermolecular bands of the flexible models are also compared with those of the SPC/E model of rigid molecules. Second, we formulate the inverse participation ratio (IPR) of the INMs, respectively, for the O- and H-atom and molecule. With the IPRs, the numbers of the three species participated in the INMs are estimated so that the localization characters of the INMs in each band are studied. Further, by the ratio of the IPR of the H atom to that of the O atom, we explore the number of involved OH bond per molecule participated in the INMs. Third, by classifying simulated molecules into subensembles according to the geometry of their local environments or their H-bond configurations, we examine the local-structure effects on the bending and stretching INM bands. All of our results are verified to be insensible to the definition of H-bond. Our conclusions about the intermolecular and intramolecular vibrations in water are given.

  9. Theory of the normal modes of vibrations in the lanthanide type crystals

    Science.gov (United States)

    Acevedo, Roberto; Soto-Bubert, Andres

    2008-11-01

    For the lanthanide type crystals, a vast and rich, though incomplete amount of experimental data has been accumulated, from linear and non linear optics, during the last decades. The main goal of the current research work is to report a new methodology and strategy to put forward a more representative approach to account for the normal modes of vibrations for a complex N-body system. For illustrative purposes, the chloride lanthanide type crystals Cs2NaLnCl6 have been chosen and we develop new convergence tests as well as a criterion to deal with the details of the F-matrix (potential energy matrix). A novel and useful concept of natural potential energy distributions (NPED) is introduced and examined throughout the course of this work. The diagonal and non diagonal contributions to these NPED-values, are evaluated for a series of these crystals explicitly. Our model is based upon a total of seventy two internal coordinates and ninety eight internal Hooke type force constants. An optimization mathematical procedure is applied with reference to the series of chloride lanthanide crystals and it is shown that the strategy and model adopted is sound from both a chemical and a physical viewpoints. We can argue that the current model is able to accommodate a number of interactions and to provide us with a very useful physical insight. The limitations and advantages of the current model and the most likely sources for improvements are discussed in detail.

  10. Effect of cobratoxin binding on the normal mode vibration within acetylcholine binding protein.

    Science.gov (United States)

    Bertaccini, Edward J; Lindahl, Erik; Sixma, Titia; Trudell, James R

    2008-04-01

    Recent crystal structures of the acetylcholine binding protein (AChBP) have revealed surprisingly small structural alterations upon ligand binding. Here we investigate the extent to which ligand binding may affect receptor dynamics. AChBP is a homologue of the extracellular component of ligand-gated ion channels (LGICs). We have previously used an elastic network normal-mode analysis to propose a gating mechanism for the LGICs and to suggest the effects of various ligands on such motions. However, the difficulties with elastic network methods lie in their inability to account for the modest effects of a small ligand or mutation on ion channel motion. Here, we report the successful application of an elastic network normal mode technique to measure the effects of large ligand binding on receptor dynamics. The present calculations demonstrate a clear alteration in the native symmetric motions of a protein due to the presence of large protein cobratoxin ligands. In particular, normal-mode analysis revealed that cobratoxin binding to this protein significantly dampened the axially symmetric motion of the AChBP that may be associated with channel gating in the full nAChR. The results suggest that alterations in receptor dynamics could be a general feature of ligand binding.

  11. 'Good Vibrations': A workshop on oscillations and normal modes

    International Nuclear Information System (INIS)

    Barbieri, Sara R.; Carpineti, Marina; Giliberti, Marco; Stellato, Marco; Rigon, Enrico; Tamborini, Marina

    2015-01-01

    We describe some theatrical strategies adopted in a two hour workshop in order to show some meaningful experiments and the underlying useful ideas to describe a secondary school path on oscillations, that develops from harmonic motion to normal modes of oscillations, and makes extensive use of video analysis, data logging, slow motions and applet simulations. Theatre is an extremely useful tool to stimulate motivation starting from positive emotions. That is the reason why the theatrical approach to the presentation of physical themes has been explored by the group 'Lo spettacolo della Fisica' (http://spettacolo.fisica.unimi.it) of the Physics Department of University of Milano for the last ten years (Carpineti et al., JCOM, 10 (2011) 1; Nuovo Cimento B, 121 (2006) 901) and has been inserted also in the European FP7 Project TEMI (Teaching Enquiry with Mysteries Incorporated, see http://teachingmysteries.eu/en) which involves 13 different partners coming from 11 European countries, among which the Italian (Milan) group. According to the TEMI guidelines, this workshop has a written script based on emotionally engaging activities of presenting mysteries to be solved while participants have been involved in nice experiments following the developed path.

  12. Direct assignment of molecular vibrations via normal mode analysis of the neutron dynamic pair distribution function technique

    International Nuclear Information System (INIS)

    Fry-Petit, A. M.; Sheckelton, J. P.; McQueen, T. M.; Rebola, A. F.; Fennie, C. J.; Mourigal, M.; Valentine, M.; Drichko, N.

    2015-01-01

    For over a century, vibrational spectroscopy has enhanced the study of materials. Yet, assignment of particular molecular motions to vibrational excitations has relied on indirect methods. Here, we demonstrate that applying group theoretical methods to the dynamic pair distribution function analysis of neutron scattering data provides direct access to the individual atomic displacements responsible for these excitations. Applied to the molecule-based frustrated magnet with a potential magnetic valence-bond state, LiZn 2 Mo 3 O 8 , this approach allows direct assignment of the constrained rotational mode of Mo 3 O 13 clusters and internal modes of MoO 6 polyhedra. We anticipate that coupling this well known data analysis technique with dynamic pair distribution function analysis will have broad application in connecting structural dynamics to physical properties in a wide range of molecular and solid state systems

  13. Coordenadas cartesianas moleculares a partir da geometria dos modos normais de vibração Molecular cartesian coordinates from vibrational normal modes geometry

    Directory of Open Access Journals (Sweden)

    Emílio Borges

    2007-04-01

    Full Text Available A simple method to obtain molecular Cartesian coordinates as a function of vibrational normal modes is presented in this work. The method does not require the definition of special matrices, like the F and G of Wilson, neither of group theory. The Eckart's conditions together with the diagonalization of kinetic and potential energy are the only required expressions. This makes the present approach appropriate to be used as a preliminary study for more advanced concepts concerning vibrational analysis. Examples are given for diatomic and triatomic molecules.

  14. A new method for evaluating the conformations and normal modes of macromolecule vibrations with a reduced force field. 2. Application to nonplanar distorted metal porphyrins

    Energy Technology Data Exchange (ETDEWEB)

    Unger, E.; Beck, M.; Lipski, R.J.; Dreybrodt, W.; Medforth, C.J.; Smith, K.M.; Schweitzer-Stenner, R.

    1999-11-11

    The authors have developed a novel method for molecular mechanics calculations and normal-mode analysis. It is based on symmetry of local units that constitutes the given molecule. Compared with general valence force field calculations, the number of free parameters is reduced by 40--80% in the procedure. It was found to reproduce very well the vibrational frequencies and mode compositions of aromatic compounds and porphyrins, as shown by comparison with DFT calculations. A slightly altered force field obtained from Ni(II) porphin was then used to calculate the structure and the normal modes of several meso-substituted Ni(II) porphyrins which are known to be subject to significant ruffling and/or saddling distortions. This method satisfactorily reproduces their nonplanar structure and Raman band frequencies in the natural abundance and isotopic derivative spectra. The polarization properties of bands from out-of-plane modes are in accordance with the predicted nonplanar distortions. Moreover, some of the modes below 800 cm{sup {minus}1} which appear intense in the Raman spectra contain considerable contributions from both in-plane and out-of-plane vibrations, so that the conventional mode assignments become questionable. The authors also demonstrate that the intensity and polarization of some low-frequency Raman bands can be used as a (quantitative) marker to elucidate type and magnitude of out-of-plane distortions. These were recently shown to affect heme groups of hemoglobin, myoglobin, and, in particular, of cytochrome c.

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

    Science.gov (United States)

    Houjou, Hirohiko

    2011-10-01

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

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

    Science.gov (United States)

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

    2007-07-01

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

  17. Normal vibrations in gallium arsenide

    International Nuclear Information System (INIS)

    Dolling, G.; Waugh, J.L.T.

    1964-01-01

    The triple axis crystal spectrometer at Chalk River has been used to observe coherent slow neutron scattering from a single crystal of pure gallium arsenide at 296 o K. The frequencies of normal modes of vibration propagating in the [ζ00], (ζζζ], and (0ζζ] crystal directions have been determined with a precision of between 1 and 2·5 per cent. A limited number of normal modes have also been studied at 95 and 184 o K. Considerable difficulty was experienced in obtaining welt resolved neutron peaks corresponding to the two non-degenerate optic modes for very small wave-vector, particularly at 296 o K. However, from a comparison of results obtained under various experimental conditions at several different points in reciprocal space, frequencies (units 10 12 c/s) for these modes (at 296 o K) have been assigned: T 8·02±0·08 and L 8·55±02. Other specific normal modes, with their measured frequencies are (a) (1,0,0): TO 7·56 ± 008, TA 2·36 ± 0·015, LO 7·22 ± 0·15, LA 6·80 ± 0·06; (b) (0·5, 0·5, 0·5): TO 7·84 ± 0·12, TA 1·86 ± 0·02, LO 7·15 ± 0·07, LA 6·26 ± 0·10; (c) (0, 0·65, 0·65): optic 8·08 ±0·13, 7·54 ± 0·12 and 6·57 ± 0·11, acoustic 5·58 ± 0·08, 3·42 · 0·06 and 2·36 ± 004. These results are generally slightly lower than the corresponding frequencies for germanium. An analysis in terms of various modifications of the dipole approximation model has been carried out. A feature of this analysis is that the charge on the gallium atom appears to be very small, about +0·04 e. The frequency distribution function has been derived from one of the force models. (author)

  18. Normal vibrations in gallium arsenide

    Energy Technology Data Exchange (ETDEWEB)

    Dolling, G; Waugh, J L T

    1964-07-01

    The triple axis crystal spectrometer at Chalk River has been used to observe coherent slow neutron scattering from a single crystal of pure gallium arsenide at 296{sup o}K. The frequencies of normal modes of vibration propagating in the [{zeta}00], ({zeta}{zeta}{zeta}], and (0{zeta}{zeta}] crystal directions have been determined with a precision of between 1 and 2{center_dot}5 per cent. A limited number of normal modes have also been studied at 95 and 184{sup o}K. Considerable difficulty was experienced in obtaining welt resolved neutron peaks corresponding to the two non-degenerate optic modes for very small wave-vector, particularly at 296{sup o}K. However, from a comparison of results obtained under various experimental conditions at several different points in reciprocal space, frequencies (units 10{sup 12} c/s) for these modes (at 296{sup o}K) have been assigned: T 8{center_dot}02{+-}0{center_dot}08 and L 8{center_dot}55{+-}02. Other specific normal modes, with their measured frequencies are (a) (1,0,0): TO 7{center_dot}56 {+-} 008, TA 2{center_dot}36 {+-} 0{center_dot}015, LO 7{center_dot}22 {+-} 0{center_dot}15, LA 6{center_dot}80 {+-} 0{center_dot}06; (b) (0{center_dot}5, 0{center_dot}5, 0{center_dot}5): TO 7{center_dot}84 {+-} 0{center_dot}12, TA 1{center_dot}86 {+-} 0{center_dot}02, LO 7{center_dot}15 {+-} 0{center_dot}07, LA 6{center_dot}26 {+-} 0{center_dot}10; (c) (0, 0{center_dot}65, 0{center_dot}65): optic 8{center_dot}08 {+-}0{center_dot}13, 7{center_dot}54 {+-} 0{center_dot}12 and 6{center_dot}57 {+-} 0{center_dot}11, acoustic 5{center_dot}58 {+-} 0{center_dot}08, 3{center_dot}42 {center_dot} 0{center_dot}06 and 2{center_dot}36 {+-} 004. These results are generally slightly lower than the corresponding frequencies for germanium. An analysis in terms of various modifications of the dipole approximation model has been carried out. A feature of this analysis is that the charge on the gallium atom appears to be very small, about +0{center_dot}04 e. The

  19. Vibrational Spectra And Potential Energy Distributions of Normal Modes of N,N'-Etilenbis(P-Toluen sulfonamide)

    International Nuclear Information System (INIS)

    Alyar, S.

    2008-01-01

    N-substituted sulfonamides are well known for their diuretic, antidiabetic, antibacterial and antifungal, anticancer e.g., and are widely used in the therapy of patients. These important bioactive properties are strongly affected by the special features of -CH 2 -SO 2 -NR-linker and intramolecular motion Thus, the studies of energetic and spatial properties on N-substituted sulfonamides are of great importance to improve our understanding of their biological activities and enhance abilities to predict new drugs. Density Functional Theory B3LYP /6-31G(d,p) level has been applied to obtain the vibrational force field for the most stable conformation of N,N'-etilenbis(p-toluensulfonamit)(ptsen)having sulfonamide moiety. The results of these calculation have been compared with spectroscopic data to verify accuracy of calculation and applicability of the DFT approach to ptsen. Additionally, complete normal coordinate analyses with quantum mechanical scaling (SQM) were performed to derive the potential energy distributions (PE)

  20. Molecular Structures, Vibrational Spectroscopy, and Normal-Mode Analysis of M(2)(C&tbd1;CR)(4)(PMe(3))(4) Dimetallatetraynes. Observation of Strongly Mixed Metal-Metal and Metal-Ligand Vibrational Modes.

    Science.gov (United States)

    John, Kevin D.; Miskowski, Vincent M.; Vance, Michael A.; Dallinger, Richard F.; Wang, Louis C.; Geib, Steven J.; Hopkins, Michael D.

    1998-12-28

    The nature of the skeletal vibrational modes of complexes of the type M(2)(C&tbd1;CR)(4)(PMe(3))(4) (M = Mo, W; R = H, Me, Bu(t)(), SiMe(3)) has been deduced. Metrical data from X-ray crystallographic studies of Mo(2)(C&tbd1;CR)(4)(PMe(3))(4) (R = Me, Bu(t)(), SiMe(3)) and W(2)(C&tbd1;CMe)(4)(PMe(3))(4) reveal that the core bond distances and angles are within normal ranges and do not differ in a statistically significant way as a function of the alkynyl substituent, indicating that their associated force constants should be similarly invariant among these compounds. The crystal structures of Mo(2)(C&tbd1;CSiMe(3))(4)(PMe(3))(4) and Mo(2)(C&tbd1;CBu(t)())(4)(PMe(3))(4) are complicated by 3-fold disorder of the Mo(2) unit within apparently ordered ligand arrays. Resonance-Raman spectra ((1)(delta-->delta) excitation, THF solution) of Mo(2)(C&tbd1;CSiMe(3))(4)(PMe(3))(4) and its isotopomers (PMe(3)-d(9), C&tbd1;CSiMe(3)-d(9), (13)C&tbd1;(13)CSiMe(3)) exhibit resonance-enhanced bands due to a(1)-symmetry fundamentals (nu(a) = 362, nu(b) = 397, nu(c) = 254 cm(-)(1) for the natural-abundance complex) and their overtones and combinations. The frequencies and relative intensities of the fundamentals are highly sensitive to isotopic substitution of the C&tbd1;CSiMe(3) ligands, but are insensitive to deuteration of the PMe(3) ligands. Nonresonance-Raman spectra (FT-Raman, 1064 nm excitation, crystalline samples) for the Mo(2)(C&tbd1;CSiMe(3))(4)(PMe(3))(4) compounds and for Mo(2)(C&tbd1;CR)(4)(PMe(3))(4) (R = H, D, Me, Bu(t)(), SiMe(3)) and W(2)(C&tbd1;CMe)(4)(PMe(3))(4) exhibit nu(a), nu(b), and nu(c) and numerous bands due to alkynyl- and phosphine-localized modes, the latter of which are assigned by comparisons to FT-Raman spectra of Mo(2)X(4)L(4) (X = Cl, Br, I; L = PMe(3), PMe(3)-d(9))(4) and Mo(2)Cl(4)(AsMe(3))(4). Valence force-field normal-coordinate calculations on the model compound Mo(2)(C&tbd1;CH)(4)P(4), using core force constants transferred from a calculation

  1. Normalized modes at selected points without normalization

    Science.gov (United States)

    Kausel, Eduardo

    2018-04-01

    As every textbook on linear algebra demonstrates, the eigenvectors for the general eigenvalue problem | K - λM | = 0 involving two real, symmetric, positive definite matrices K , M satisfy some well-defined orthogonality conditions. Equally well-known is the fact that those eigenvectors can be normalized so that their modal mass μ =ϕT Mϕ is unity: it suffices to divide each unscaled mode by the square root of the modal mass. Thus, the normalization is the result of an explicit calculation applied to the modes after they were obtained by some means. However, we show herein that the normalized modes are not merely convenient forms of scaling, but that they are actually intrinsic properties of the pair of matrices K , M, that is, the matrices already "know" about normalization even before the modes have been obtained. This means that we can obtain individual components of the normalized modes directly from the eigenvalue problem, and without needing to obtain either all of the modes or for that matter, any one complete mode. These results are achieved by means of the residue theorem of operational calculus, a finding that is rather remarkable inasmuch as the residues themselves do not make use of any orthogonality conditions or normalization in the first place. It appears that this obscure property connecting the general eigenvalue problem of modal analysis with the residue theorem of operational calculus may have been overlooked up until now, but which has in turn interesting theoretical implications.Á

  2. Local-mode vibrations of water

    Energy Technology Data Exchange (ETDEWEB)

    Lawton, R.T.; Child, M.S. (Oxford Univ. (UK). Dept. of Theoretical Chemistry)

    1981-05-11

    Quantum-mechanical eigenvalues for the stretching vibrations of H/sub 2/O on the Sorbie-Murrell potential surface are shown to contain a series of local-mode doublets, with splittings which vary as the energy increases from 100 cm/sup -1/ at v=1 to 0.001 cm/sup -1/ at v=8. Preliminary calculations indicate that this pattern is largely unaffected by inclusion of the bending vibrational mode.

  3. Local-mode vibrations of water

    Energy Technology Data Exchange (ETDEWEB)

    Lawton, R.T.; Child, M.S. (Oxford Univ. (UK). Dept. of Theoretical Chemistry)

    1981-05-11

    Quantum-mechanical eigenvalues for the stretching vibrations of H/sub 2/O on the Sorbie-Murrell potential surface are shown to contain a series of local-mode doublets, with splittings which vary as the energy increases from 100 cm/sup -1/ at theta=1 to 0.001 cm/sup -1/ at theta=8. Preliminary calculations indicate that this pattern is largely unaffected by inclusion of the bending vibrational mode.

  4. Local-mode vibrations of water

    International Nuclear Information System (INIS)

    Lawton, R.T.; Child, M.S.

    1981-01-01

    Quantum-mechanical eigenvalues for the stretching vibrations of H 2 O on the Sorbie-Murrell potential surface are shown to contain a series of local-mode doublets, with splittings which vary as the energy increases from 100 cm - 1 at v=1 to 0.001 cm - 1 at v=8. Preliminary calculations indicate that this pattern is largely unaffected by inclusion of the bending vibrational mode. (author)

  5. Vibrational lifetimes of protein amide modes

    International Nuclear Information System (INIS)

    Peterson, K.A.; Rella, C.A.

    1995-01-01

    Measurement of the lifetimes of vibrational modes in proteins has been achieved with a single frequency infrared pump-probe technique using the Stanford Picosecond Free-electron Laser, These are the first direct measurements of vibrational dynamics in the polyamide structure of proteins. In this study, modes associated with the protein backbone are investigated. Results for the amide I band, which consists mainly of the stretching motion of the carbonyl unit of the amide linkage, show that relaxation from the first vibrational excited level (v=1) to the vibrational ground state (v=0) occurs within 1.5 picoseconds with apparent first order kinetics. Comparison of lifetimes for myoglobin and azurin, which have differing secondary structures, show a small but significant difference. The lifetime for the amide I band of myoglobin is 300 femtoseconds shorter than for azurin. Further measurements are in progress on other backbone vibrational modes and on the temperature dependence of the lifetimes. Comparison of vibrational dynamics for proteins with differing secondary structure and for different vibrational modes within a protein will lead to a greater understanding of energy transfer and dissipation in biological systems. In addition, these results have relevance to tissue ablation studies which have been conducted with pulsed infrared lasers. Vibrational lifetimes are necessary for calculating the rate at which the energy from absorbed infrared photons is converted to equilibrium thermal energy within the irradiated volume. The very fast vibrational lifetimes measured here indicate that mechanisms which involve direct vibrational up-pumping of the amide modes with consecutive laser pulses, leading to bond breakage or weakening, are not valid

  6. Normal modes of Bardeen discs

    International Nuclear Information System (INIS)

    Verdaguer, E.

    1983-01-01

    The short wavelength normal modes of self-gravitating rotating polytropic discs in the Bardeen approximation are studied. The discs' oscillations can be seen in terms of two types of modes: the p-modes whose driving forces are pressure forces and the r-modes driven by Coriolis forces. As a consequence of differential rotation coupling between the two takes place and some mixed modes appear, their properties can be studied under the assumption of weak coupling and it is seen that they avoid the crossing of the p- and r-modes. The short wavelength analysis provides a basis for the classification of the modes, which can be made by using the properties of their phase diagrams. The classification is applied to the large wavelength modes of differentially rotating discs with strong coupling and to a uniformly rotating sequence with no coupling, which have been calculated in previous papers. Many of the physical properties and qualitative features of these modes are revealed by the analysis. (author)

  7. Local vibrational modes of the water dimer - Comparison of theory and experiment

    Science.gov (United States)

    Kalescky, R.; Zou, W.; Kraka, E.; Cremer, D.

    2012-12-01

    Local and normal vibrational modes of the water dimer are calculated at the CCSD(T)/CBS level of theory. The local H-bond stretching frequency is 528 cm-1 compared to a normal mode stretching frequency of just 143 cm-1. The adiabatic connection scheme between local and normal vibrational modes reveals that the lowering is due to mass coupling, a change in the anharmonicity, and coupling with the local HOH bending modes. The local mode stretching force constant is related to the strength of the H-bond whereas the normal mode stretching force constant and frequency lead to an erroneous underestimation of the H-bond strength.

  8. Normal modes and continuous spectra

    International Nuclear Information System (INIS)

    Balmforth, N.J.; Morrison, P.J.

    1994-12-01

    The authors consider stability problems arising in fluids, plasmas and stellar systems that contain singularities resulting from wave-mean flow or wave-particle resonances. Such resonances lead to singularities in the differential equations determining the normal modes at the so-called critical points or layers. The locations of the singularities are determined by the eigenvalue of the problem, and as a result, the spectrum of eigenvalues forms a continuum. They outline a method to construct the singular eigenfunctions comprising the continuum for a variety of problems

  9. Normal mode analysis and applications in biological physics.

    Science.gov (United States)

    Dykeman, Eric C; Sankey, Otto F

    2010-10-27

    Normal mode analysis has become a popular and often used theoretical tool in the study of functional motions in enzymes, viruses, and large protein assemblies. The use of normal modes in the study of these motions is often extremely fruitful since many of the functional motions of large proteins can be described using just a few normal modes which are intimately related to the overall structure of the protein. In this review, we present a broad overview of several popular methods used in the study of normal modes in biological physics including continuum elastic theory, the elastic network model, and a new all-atom method, recently developed, which is capable of computing a subset of the low frequency vibrational modes exactly. After a review of the various methods, we present several examples of applications of normal modes in the study of functional motions, with an emphasis on viral capsids.

  10. Optimal parameters uncoupling vibration modes of oscillators

    Science.gov (United States)

    Le, K. C.; Pieper, A.

    2017-07-01

    This paper proposes a novel optimization concept for an oscillator with two degrees of freedom. By using specially defined motion ratios, we control the action of springs to each degree of freedom of the oscillator. We aim at showing that, if the potential action of the springs in one period of vibration, used as the payoff function for the conservative oscillator, is maximized among all admissible parameters and motions satisfying Lagrange's equations, then the optimal motion ratios uncouple vibration modes. A similar result holds true for the dissipative oscillator having dampers. The application to optimal design of vehicle suspension is discussed.

  11. WEBnm@: a web application for normal mode analyses of proteins

    Directory of Open Access Journals (Sweden)

    Reuter Nathalie

    2005-03-01

    Full Text Available Abstract Background Normal mode analysis (NMA has become the method of choice to investigate the slowest motions in macromolecular systems. NMA is especially useful for large biomolecular assemblies, such as transmembrane channels or virus capsids. NMA relies on the hypothesis that the vibrational normal modes having the lowest frequencies (also named soft modes describe the largest movements in a protein and are the ones that are functionally relevant. Results We developed a web-based server to perform normal modes calculations and different types of analyses. Starting from a structure file provided by the user in the PDB format, the server calculates the normal modes and subsequently offers the user a series of automated calculations; normalized squared atomic displacements, vector field representation and animation of the first six vibrational modes. Each analysis is performed independently from the others and results can be visualized using only a web browser. No additional plug-in or software is required. For users who would like to analyze the results with their favorite software, raw results can also be downloaded. The application is available on http://www.bioinfo.no/tools/normalmodes. We present here the underlying theory, the application architecture and an illustration of its features using a large transmembrane protein as an example. Conclusion We built an efficient and modular web application for normal mode analysis of proteins. Non specialists can easily and rapidly evaluate the degree of flexibility of multi-domain protein assemblies and characterize the large amplitude movements of their domains.

  12. Anomalous normal mode oscillations in semiconductor microcavities

    Energy Technology Data Exchange (ETDEWEB)

    Wang, H. [Univ. of Oregon, Eugene, OR (United States). Dept. of Physics; Hou, H.Q.; Hammons, B.E. [Sandia National Labs., Albuquerque, NM (United States)

    1997-04-01

    Semiconductor microcavities as a composite exciton-cavity system can be characterized by two normal modes. Under an impulsive excitation by a short laser pulse, optical polarizations associated with the two normal modes have a {pi} phase difference. The total induced optical polarization is then expected to exhibit a sin{sup 2}({Omega}t)-like oscillation where 2{Omega} is the normal mode splitting, reflecting a coherent energy exchange between the exciton and cavity. In this paper the authors present experimental studies of normal mode oscillations using three-pulse transient four wave mixing (FWM). The result reveals surprisingly that when the cavity is tuned far below the exciton resonance, normal mode oscillation in the polarization is cos{sup 2}({Omega}t)-like, in contrast to what is expected form the simple normal mode model. This anomalous normal mode oscillation reflects the important role of virtual excitation of electronic states in semiconductor microcavities.

  13. Vibrational spectra and normal co-ordinate analysis of 2-aminopyridine and 2-amino picoline.

    Science.gov (United States)

    Jose, Sujin P; Mohan, S

    2006-05-01

    The Fourier transform infrared (FT-IR) and Raman (FT-R) spectra of 2-aminopyridine and 2-amino picoline were recorded and the observed frequencies were assigned to various modes of vibration in terms of fundamentals by assuming Cs point group symmetry. A normal co-ordinate analysis was also carried out for the proper assignment of the vibrational frequencies using simple valence force field. A complete vibrational analysis is presented here for the molecules and the results are briefly discussed.

  14. Nonlinear Vibration and Mode Shapes of FG Cylindrical Shells

    Directory of Open Access Journals (Sweden)

    Saeed Mahmoudkhani

    Full Text Available Abstract The nonlinear vibration and normal mode shapes of FG cylindrical shells are investigated using an efficient analytical method. The equations of motion of the shell are based on the Donnell’s non-linear shallow-shell, and the material is assumed to be gradually changed across the thickness according to the simple power law. The solution is provided by first discretizing the equations of motion using the multi-mode Galerkin’s method. The nonlinear normal mode of the system is then extracted using the invariant manifold approach and employed to decouple the discretized equations. The homotopy analysis method is finally used to determine the nonlinear frequency. Numerical results are presented for the backbone curves of FG cylindrical shells, nonlinear mode shapes and also the nonlinear invariant modal surfaces. The volume fraction index and the geometric properties of the shell are found to be effective on the type of nonlinear behavior and also the nonlinear mode shapes of the shell. The circumferential half-wave numbers of the nonlinear mode shapes are found to change with time especially in a thinner cylinder.

  15. On normal modes in classical Hamiltonian systems

    NARCIS (Netherlands)

    van Groesen, Embrecht W.C.

    1983-01-01

    Normal modes of Hamittonian systems that are even and of classical type are characterized as the critical points of a normalized kinetic energy functional on level sets of the potential energy functional. With the aid of this constrained variational formulation the existence of at least one family

  16. Normal modes of weak colloidal gels

    Science.gov (United States)

    Varga, Zsigmond; Swan, James W.

    2018-01-01

    The normal modes and relaxation rates of weak colloidal gels are investigated in calculations using different models of the hydrodynamic interactions between suspended particles. The relaxation spectrum is computed for freely draining, Rotne-Prager-Yamakawa, and accelerated Stokesian dynamics approximations of the hydrodynamic mobility in a normal mode analysis of a harmonic network representing several colloidal gels. We find that the density of states and spatial structure of the normal modes are fundamentally altered by long-ranged hydrodynamic coupling among the particles. Short-ranged coupling due to hydrodynamic lubrication affects only the relaxation rates of short-wavelength modes. Hydrodynamic models accounting for long-ranged coupling exhibit a microscopic relaxation rate for each normal mode, λ that scales as l-2, where l is the spatial correlation length of the normal mode. For the freely draining approximation, which neglects long-ranged coupling, the microscopic relaxation rate scales as l-γ, where γ varies between three and two with increasing particle volume fraction. A simple phenomenological model of the internal elastic response to normal mode fluctuations is developed, which shows that long-ranged hydrodynamic interactions play a central role in the viscoelasticity of the gel network. Dynamic simulations of hard spheres that gel in response to short-ranged depletion attractions are used to test the applicability of the density of states predictions. For particle concentrations up to 30% by volume, the power law decay of the relaxation modulus in simulations accounting for long-ranged hydrodynamic interactions agrees with predictions generated by the density of states of the corresponding harmonic networks as well as experimental measurements. For higher volume fractions, excluded volume interactions dominate the stress response, and the prediction from the harmonic network density of states fails. Analogous to the Zimm model in polymer

  17. Spatial Distortion of Vibration Modes via Magnetic Correlation of Impurities

    Science.gov (United States)

    Krasniqi, F. S.; Zhong, Y.; Epp, S. W.; Foucar, L.; Trigo, M.; Chen, J.; Reis, D. A.; Wang, H. L.; Zhao, J. H.; Lemke, H. T.; Zhu, D.; Chollet, M.; Fritz, D. M.; Hartmann, R.; Englert, L.; Strüder, L.; Schlichting, I.; Ullrich, J.

    2018-03-01

    Long wavelength vibrational modes in the ferromagnetic semiconductor Ga0.91 Mn0.09 As are investigated using time resolved x-ray diffraction. At room temperature, we measure oscillations in the x-ray diffraction intensity corresponding to coherent vibrational modes with well-defined wavelengths. When the correlation of magnetic impurities sets in, we observe the transition of the lattice into a disordered state that does not support coherent modes at large wavelengths. Our measurements point toward a magnetically induced broadening of long wavelength vibrational modes in momentum space and their quasilocalization in the real space. More specifically, long wavelength vibrational modes cannot be assigned to a single wavelength but rather should be represented as a superposition of plane waves with different wavelengths. Our findings have strong implications for the phonon-related processes, especially carrier-phonon and phonon-phonon scattering, which govern the electrical conductivity and thermal management of semiconductor-based devices.

  18. Helicon normal modes in Proto-MPEX

    Science.gov (United States)

    Piotrowicz, P. A.; Caneses, J. F.; Green, D. L.; Goulding, R. H.; Lau, C.; Caughman, J. B. O.; Rapp, J.; Ruzic, D. N.

    2018-05-01

    The Proto-MPEX helicon source has been operating in a high electron density ‘helicon-mode’. Establishing plasma densities and magnetic field strengths under the antenna that allow for the formation of normal modes of the fast-wave are believed to be responsible for the ‘helicon-mode’. A 2D finite-element full-wave model of the helicon antenna on Proto-MPEX is used to identify the fast-wave normal modes responsible for the steady-state electron density profile produced by the source. We also show through the simulation that in the regions of operation in which core power deposition is maximum the slow-wave does not deposit significant power besides directly under the antenna. In the case of a simulation where a normal mode is not excited significant edge power is deposited in the mirror region. ).

  19. Power enhancing by reversing mode sequence in tuned mass-spring unit attached vibration energy harvester

    Directory of Open Access Journals (Sweden)

    Jae Eun Kim

    2013-07-01

    Full Text Available We propose a vibration energy harvester consisting of an auxiliary frequency-tuned mass unit and a piezoelectric vibration energy harvesting unit for enhancing output power. The proposed integrated system is so configured that its out-of-phase mode can appear at the lowest eigenfrequency unlike in the conventional system using a tuned unit. Such an arrangement makes the resulting system distinctive: enhanced output power at or near the target operating frequency and very little eigenfrequency separation, not observed in conventional eigenfrequency-tuned vibration energy harvesters. The power enhancement of the proposed system is theoretically examined with and without tip mass normalization or footprint area normalization.

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

    Science.gov (United States)

    Okabe, Seiji; Ishigaki, Yusuke; Omura, Takeshi

    2018-04-01

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

  1. selective excitation of vibrational modes of polyatomic molecule

    Indian Academy of Sciences (India)

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

  2. Multi-mode vibration control of piping system

    International Nuclear Information System (INIS)

    Minowa, Takeshi; Seto, Kazuto; Iiyama, Fumiya; Sodeyama, Hiroshi

    1999-01-01

    In this paper, dual dynamic absorbers are applied to the piping system in order to control the multiple vibration modes. ANSYS, which is one of the software based on FEM(finite element method), is used for the design of dual dynamic absorbers as well as for the determination of their optimum installing positions. The dual dynamic absorbers designed optimally for controlling the first three vibration modes perform just like a houde damper in higher frequency and have an effect on controlling higher modes. To use this advantage, three dual dynamic absorbers are installed in positions where they influence higher modes, and not only the first three modes of the piping system but also the extensive modes are controlled. Practical experimental study has also been carried out and it is shown that a dual dynamic absorber is suitable for controlling the vibration of the piping system. (author)

  3. Calculations of lattice vibrational mode lifetimes using Jazz: a Python wrapper for LAMMPS

    International Nuclear Information System (INIS)

    Gao, Y; Wang, H; Daw, M S

    2015-01-01

    Jazz is a new python wrapper for LAMMPS [1], implemented to calculate the lifetimes of vibrational normal modes based on forces as calculated for any interatomic potential available in that package. The anharmonic character of the normal modes is analyzed via the Monte Carlo-based moments approximation as is described in Gao and Daw [2]. It is distributed as open-source software and can be downloaded from the website http://jazz.sourceforge.net/. (paper)

  4. Calculations of lattice vibrational mode lifetimes using Jazz: a Python wrapper for LAMMPS

    Science.gov (United States)

    Gao, Y.; Wang, H.; Daw, M. S.

    2015-06-01

    Jazz is a new python wrapper for LAMMPS [1], implemented to calculate the lifetimes of vibrational normal modes based on forces as calculated for any interatomic potential available in that package. The anharmonic character of the normal modes is analyzed via the Monte Carlo-based moments approximation as is described in Gao and Daw [2]. It is distributed as open-source software and can be downloaded from the website http://jazz.sourceforge.net/.

  5. Raman intensity and vibrational modes of armchair CNTs

    Science.gov (United States)

    Hur, Jaewoong; Stuart, Steven J.

    2017-07-01

    Raman intensity changes and frequency patterns have been studied using the various armchair (n, n) to understand the variations of bond polarizability, in regard to changing diameters, lengths, and the number of atoms in the (n, n). The Raman intensity trends of the (n, n) are validated by those of Cn isomers. For frequency trends, similar frequency patterns and frequency inward shifts for the (n, n) are characterized. Also, VDOS trends of the (n, n) expressing Raman modes are interpreted. The decomposition of vibrational modes in the (n, n) into radial, longitudinal, and tangential mode is beneficially used to recognize the distinct characteristics of vibrational modes.

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

    International Nuclear Information System (INIS)

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

    2012-01-01

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

  7. [Raman, FTIR spectra and normal mode analysis of acetanilide].

    Science.gov (United States)

    Liang, Hui-Qin; Tao, Ya-Ping; Han, Li-Gang; Han, Yun-Xia; Mo, Yu-Jun

    2012-10-01

    The Raman and FTIR spectra of acetanilide (ACN) were measured experimentally in the regions of 3 500-50 and 3 500-600 cm(-1) respectively. The equilibrium geometry and vibration frequencies of ACN were calculated based on density functional theory (DFT) method (B3LYP/6-311G(d, p)). The results showed that the theoretical calculation of molecular structure parameters are in good agreement with previous report and better than the ones calculated based on 6-31G(d), and the calculated frequencies agree well with the experimental ones. Potential energy distribution of each frequency was worked out by normal mode analysis, and based on this, a detailed and accurate vibration frequency assignment of ACN was obtained.

  8. Vibration modes of a single plate with general boundary conditions

    Directory of Open Access Journals (Sweden)

    Phamová L.

    2016-06-01

    Full Text Available This paper deals with free flexural vibration modes and natural frequencies of a thin plate with general boundary conditions — a simply supported plate connected to its surroundings with torsional springs. Vibration modes were derived on the basis of the Rajalingham, Bhat and Xistris approach. This approach was originally used for a clamped thin plate, so its adaptation was needed. The plate vibration function was usually expressed as a single partial differential equation. This partial differential equation was transformed into two ordinary differential equations that can be solved in the simpler way. Theoretical background of the computations is briefly described. Vibration modes of the supported plate with torsional springs are presented graphically and numerically for three different values of stiffness of torsional springs.

  9. Vibrational Mode-Specific Autodetachment and Coupling of CH2CN-

    Science.gov (United States)

    Lyle, Justin; Mabbs, Richard

    2017-06-01

    The Cyanomethyl Anion, CH_{2}CN-, and neutral radical have been studied extensively, with several findings of autodetachment about the totally symmetric transition, as well as high resolution experiments revealing symmetrically forbidden and weak vibrational features. We report photoelectron spectra using the Velocity-Mapped Imaging Technique in 1-2 \\wn increments over a range of 13460 to 15384 \\wn that has not been previously examined. These spectra include excitation of the ground state cyanomethyl anion into the direct detachment thresholds of previously reported vibrational modes for the neutral radical. Significant variations from Franck-Condon behavior were observed in the branching ratios for resolved vibrational features for excitation in the vicinity of the thresholds involving the νb{3} and νb{5} modes. These are consistent with autodetachment from rovibrational levels of a dipole bound state acting as a resonance in the detachment continuum. The autodetachment channels involve single changes in vibrational quantum number, consistent with the vibrational propensity rule but in some cases reveal relaxation to a different vibrational mode indicating coupling between the modes and/or a breakdown of the normal mode approximation.

  10. Sphalerons, deformed sphalerons and normal modes

    International Nuclear Information System (INIS)

    Brihaye, Y.; Kunz, J.; Oldenburg Univ.

    1992-01-01

    Topological arguments suggest that tha Weinberg-Salam model posses unstable solutions, sphalerons, representing the top of energy barriers between inequivalent vacua of the gauge theory. In the limit of vanishing Weinberg angle, such unstable solutions are known: the sphaleron of Klinkhamer and Manton and at large values of the Higgs mass in addition the deformed sphalerons. Here a systematic study of the discrete normal modes about these sphalerons for the full range Higgs mass is presented. The emergence of deformed sphalerons at critical values of the Higgs mass is seem to be related to the crossing of zero of the eigenvalue of the particular normal modes about the sphaleron. 6 figs., 1 tab., 19 refs. (author)

  11. Failure modes and natural control time for distributed vibrating systems

    International Nuclear Information System (INIS)

    Reid, R.M.

    1994-01-01

    The eigenstructure of the Gram matrix of frequency exponentials is used to study linear vibrating systems of hyperbolic type with distributed control. Using control norm as a practical measure of controllability and the vibrating string as a prototype, it is demonstrated that hyperbolic systems have a natural control time, even when only finitely many modes are excited. For shorter control times there are identifiable control failure modes which can be steered to zero only with very high cost in control norm. Both natural control time and the associated failure modes are constructed for linear fluids, strings, and beams, making note of the essential algorithms and Mathematica code, and displaying results graphically

  12. Normal mode analysis for linear resistive magnetohydrodynamics

    International Nuclear Information System (INIS)

    Kerner, W.; Lerbinger, K.; Gruber, R.; Tsunematsu, T.

    1984-10-01

    The compressible, resistive MHD equations are linearized around an equilibrium with cylindrical symmetry and solved numerically as a complex eigenvalue problem. This normal mode code allows to solve for very small resistivity eta proportional 10 -10 . The scaling of growthrates and layer width agrees very well with analytical theory. Especially, both the influence of current and pressure on the instabilities is studied in detail; the effect of resistivity on the ideally unstable internal kink is analyzed. (orig.)

  13. Evaluation of Bus Vibration Comfort Based on Passenger Crowdsourcing Mode

    Directory of Open Access Journals (Sweden)

    Hong Zhao

    2016-01-01

    Full Text Available Vibration comfort is an important factor affecting the quality of service (QoS of bus. In order to make people involved in supervising bus’s vibration comfort and improve passengers’ riding experience, a novel mode of passenger crowdsourcing is introduced. In this paper, comfort degree of bus vibration is calculated from bus’s vibration signals collected by passengers’ smartphones and sent through WiFi to the Boa web server which shows the vibration comfort on the LCD deployed in bus and maybe trigger alarm lamp when the vibration is beyond the threshold. Three challenges here have been overcome: firstly, space coordinate transformation algorithm is used to solve the constant drift of signals collected; secondly, a low-pass filter is designed to isolate gravity from signals real-timely via limited computing resources; thirdly, an embedded evaluation system is developed according to the calculation procedure specified by criterion ISO 2631-1997. Meanwhile, the model proposed is tested in a practical running environment, the vibration data in whole travel are recorded and analyzed offline. The results show that comfort degree of vibration obtained from the experimental system is identical with the truth, and this mode is proved to be effective.

  14. Researches Concerning to Minimize Vibrations when Processing Normal Lathe

    Directory of Open Access Journals (Sweden)

    Lenuța Cîndea

    2015-09-01

    Full Text Available In the cutting process, vibration is inevitable appearance, and in situations where the amplitude exceeds the limits of precision dimensional and shape of the surfaces generated vibrator phenomenon is detrimental.Field vibration is an issue of increasingly developed, so the futures will a better understanding of them and their use even in other sectors.The paper developed experimental measurement of vibrations at the lathe machining normal. The scheme described kinematical machine tool, cutting tool, cutting conditions, presenting experimental facility for measuring vibration occurring at turning. Experimental results have followed measurement of amplitude, which occurs during interior turning the knife without silencer incorporated. The tests were performed continuously for different speed, feed and depth of cut.

  15. Surface vibrational modes in disk-shaped resonators.

    Science.gov (United States)

    Dmitriev, A V; Gritsenko, D S; Mitrofanov, V P

    2014-03-01

    The natural frequencies and distributions of displacement components for the surface vibrational modes in thin isotropic elastic disks are calculated. In particular, the research is focused on even solutions for low-lying resonant vibrations with large angular wave numbers. Several families of modes are found which are interpreted as modified surface modes of an infinitely long cylinder and Lamb modes of a plate. The results of calculation are compared with the results of the experimental measurements of vibrational modes generated by means of resonant excitation in duraluminum disk with radius of ≈90 mm and thickness of 16 mm in the frequency range of 130-200 kHz. An excellent agreement between the calculated and measured frequencies is found. Measurements of the structure of the resonant peaks show splitting of some modes. About a half of the measured modes has splitting Δfsplit/fmode at the level of the order of 10(-5). The Q-factors of all modes measured in vacuum lie in the interval (2…3)×10(5). This value is typical for duraluminum mechanical resonators in the ultrasonic frequency range. Copyright © 2013 Elsevier B.V. All rights reserved.

  16. Customized shaping of vibration modes by acoustic metamaterial synthesis

    Science.gov (United States)

    Xu, Jiawen; Li, Shilong; Tang, J.

    2018-04-01

    Acoustic metamaterials have attractive potential in elastic wave guiding and attenuation over specific frequency ranges. The vast majority of related investigations are on transient waves. In this research we focus on stationary wave manipulation, i.e., shaping of vibration modes. Periodically arranged piezoelectric transducers shunted with inductive circuits are integrated to a beam structure to form a finite-length metamaterial beam. We demonstrate for the first time that, under a given operating frequency of interest, we can facilitate a metamaterial design such that this frequency becomes a natural frequency of the integrated system. Moreover, the vibration mode corresponding to this natural frequency can be customized and shaped to realize tailored/localized response distribution. This is fundamentally different from previous practices of utilizing geometry modification and/or feedback control to achieve mode tailoring. The metamaterial design is built upon the combinatorial effects of the bandgap feature and the effective resonant cavity feature, both attributed to the dynamic characteristics of the metamaterial beam. Analytical investigations based on unit-cell dynamics and modal analysis of the metamaterial beam are presented to reveal the underlying mechanism. Case illustrations are validated by finite element analyses. Owing to the online tunability of circuitry integrated, the proposed mode shaping technique can be online adjusted to fit specific requirements. The customized shaping of vibration modes by acoustic metamaterial synthesis has potential applications in vibration suppression, sensing enhancement and energy harvesting.

  17. CO 2 laser photoacoustic spectra and vibrational modes of heroin ...

    Indian Academy of Sciences (India)

    Heroin, morphine and narcotine are very large molecules having 50, 40 and 53 atoms respectively. Moderately high resolution photoacoustic (PA) spectra have been recorded in 9.6 m and 10.6 m regions of CO2 laser. It is very difficult to assign the modes of vibrations for PA bands by comparison with conventional low ...

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

    International Nuclear Information System (INIS)

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

    2015-01-01

    We report infrared spectra of nitromethane anion, CH 3 NO 2 − , in the region 700–2150 cm −1 , obtained by Ar predissociation spectroscopy and electron detachment spectroscopy. The data are interpreted in the framework of second-order vibrational perturbation theory based on coupled-cluster electronic structure calculations. The modes in the spectroscopic region studied here are mainly based on vibrations involving the heavier atoms; this work complements earlier studies on nitromethane anion that focused on the CH stretching region of the spectrum. Electron detachment begins at photon energies far below the adiabatic electron affinity due to thermal population of excited vibrational states

  19. Local vibrational modes of the formic acid dimer - the strength of the double hydrogen bond

    Science.gov (United States)

    Kalescky, R.; Kraka, E.; Cremer, D.

    2013-07-01

    The 24 normal and 24 local vibrational modes of the formic acid dimer formed by two trans formic acid monomers to a ring (TT1) are analysed utilising preferentially experimental frequencies, but also CCSD(T)/CBS and ωB97X-D harmonic vibrational frequencies. The local hydrogen bond (HB) stretching frequencies are at 676 cm-1 and by this 482 and 412 cm-1 higher compared to the measured symmetric and asymmetric HB stretching frequencies at 264 and 194 cm-1. The adiabatic connection scheme between local and normal vibrational modes reveals that the lowering is due to the topology of dimer TT1, mass coupling, and avoided crossings involving the HṡṡṡOC bending modes. The HB local mode stretching force constant is related to the strength of the HB whereas the normal mode stretching force constant and frequency lead to an erroneous underestimation of the HB strength. The HB in TT1 is stabilised by electron delocalisation in the O=C-O units fostered by forming a ring via double HBs. This implies that the CO apart from the OH local stretching frequencies reflect the strength of the HB via their red or blue shifts relative to their corresponding values in trans formic acid.

  20. Dipole Correlation of the Electronic Structures of theConformations of Water Molecule Evolving Through theNormal Modes of Vibrations Between Angular (C2v to Linear(D∝h Shapes

    Directory of Open Access Journals (Sweden)

    Arindam Chakraborty

    2006-03-01

    Full Text Available In order to settle the issue of equivalence or non-equivalence of the two lone pairsof electrons on oxygen atom in water molecule, a quantum chemical study of the dipolecorrelation of the electronic structure of the molecule as a function of conformationsgenerated following the normal modes of vibrations between the two extremeconformations, C2v (∠HOH at 90o and D∝h (∠HOH at 180o, including the equilibrium one,has been performed. The study invokes quantum mechanical partitioning of moleculardipoles into bond moment and lone pair moment and localization of delocalized canonicalmolecular orbitals, CMO’s into localized molecular orbitals, LMO’s. An earlier suggestion,on the basis of photoelectron spectroscopy, that one lone pair is in p-type and the other is ins-type orbital of O atom of water molecule at its equilibrium shape, and also the qualitative“Squirrel Ears” structure are brought under serious scrutiny. A large number ofconformations are generated and the charge density matrix, dipole moment of eachconformation is computed in terms of the generated canonical molecular orbitals, CMO’sand then Sinanoğlu’s localization method is invoked to localize the CMO’s of eachconformation and the quantum mechanical hybridizations of all the bonds and lone pairs onO center are evaluated in terms of the localized molecular orbitals. Computed datademonstrate that the electronic structures i.e. two bond pairs and two lone pairs and itshybridization status of all conformations of water molecule are straightforward in terms ofthe LMO’s. It is further revealed that the pattern of orbital hybridization changescontinuously as a function of evolution of molecular shape. The close analysis of thegenerated LMO’s reveals that one lone pair is accommodated in a pure p orbital and anotherlone pair is in a hybrid

  1. On normal modes and dispersive properties of plasma systems

    International Nuclear Information System (INIS)

    Weiland, J.

    1976-01-01

    The description of nonlinear wave phenomena in terms of normal modes contra that of electric fields is discussed. The possibility of defining higher order normal modes is pointed out and the field energy is expressed in terms of the normal mode and the electric field. (Auth.)

  2. Estimation of the mechanical properties of the eye through the study of its vibrational modes.

    Directory of Open Access Journals (Sweden)

    M Á Aloy

    Full Text Available Measuring the eye's mechanical properties in vivo and with minimally invasive techniques can be the key for individualized solutions to a number of eye pathologies. The development of such techniques largely relies on a computational modelling of the eyeball and, it optimally requires the synergic interplay between experimentation and numerical simulation. In Astrophysics and Geophysics the remote measurement of structural properties of the systems of their realm is performed on the basis of (helio-seismic techniques. As a biomechanical system, the eyeball possesses normal vibrational modes encompassing rich information about its structure and mechanical properties. However, the integral analysis of the eyeball vibrational modes has not been performed yet. Here we develop a new finite difference method to compute both the spheroidal and, specially, the toroidal eigenfrequencies of the human eye. Using this numerical model, we show that the vibrational eigenfrequencies of the human eye fall in the interval 100 Hz-10 MHz. We find that compressible vibrational modes may release a trace on high frequency changes of the intraocular pressure, while incompressible normal modes could be registered analyzing the scattering pattern that the motions of the vitreous humour leave on the retina. Existing contact lenses with embebed devices operating at high sampling frequency could be used to register the microfluctuations of the eyeball shape we obtain. We advance that an inverse problem to obtain the mechanical properties of a given eye (e.g., Young's modulus, Poisson ratio measuring its normal frequencies is doable. These measurements can be done using non-invasive techniques, opening very interesting perspectives to estimate the mechanical properties of eyes in vivo. Future research might relate various ocular pathologies with anomalies in measured vibrational frequencies of the eye.

  3. Optically active vibrational modes of PPV derivatives on textile substrate

    International Nuclear Information System (INIS)

    Silva, M.A.T. da; Dias, I.F.L.; Santos, E.P. dos; Martins, A.A.; Duarte, J.L.; Laureto, E.; Reis, G.A. dos; Guimarães, P.S.S.; Cury, L.A.

    2013-01-01

    In this work, MEH-PPV and BDMO-PPV films were deposited by spin-coating on “dirty” textile substrates of canvas, nylon, canvas with resin, jeans and on glass and the temperature dependence of the optical properties of them was studied by photoluminescence and Raman (300 K) techniques. The temperature dependence of the energy, of the half line width at half height of the purely electronic peak, of the integrated PL intensity and of the Huang-Rhys factor, S=I (01) /I (00) , were obtained directly from the PL spectrum. For an analysis of the vibrational modes involved, Raman measurements were performed on substrates with and without polymers deposited and the results compared with those found in the literature. The films of MEH-PPV and BDMO-PPV showed optical properties similar to those films deposited on other substrates such as glass, metals, etc. It was observed an inversion of the first vibrational band in relation to the purely electronic peak with increasing temperature in the films deposited on nylon and canvas. The vibrational modes obtained by Raman were used to compose the simulation of the PL line shape of BDMO-PPV films on canvas and nylon, using a model proposed by Lin [29]. - Highlights: ► MEH-PPV and BDMO-PPV films were deposited by spin-coating on dirty textile. ► Their properties were studied by photoluminescence and Raman techniques. ► We observed inversion of first vibrational band in relation to purely electronic peak. ► Optically active vibrational modes of PPV derivatives were studied.

  4. Comparative study of various normal mode analysis techniques based on partial Hessians.

    Science.gov (United States)

    Ghysels, An; Van Speybroeck, Veronique; Pauwels, Ewald; Catak, Saron; Brooks, Bernard R; Van Neck, Dimitri; Waroquier, Michel

    2010-04-15

    Standard normal mode analysis becomes problematic for complex molecular systems, as a result of both the high computational cost and the excessive amount of information when the full Hessian matrix is used. Several partial Hessian methods have been proposed in the literature, yielding approximate normal modes. These methods aim at reducing the computational load and/or calculating only the relevant normal modes of interest in a specific application. Each method has its own (dis)advantages and application field but guidelines for the most suitable choice are lacking. We have investigated several partial Hessian methods, including the Partial Hessian Vibrational Analysis (PHVA), the Mobile Block Hessian (MBH), and the Vibrational Subsystem Analysis (VSA). In this article, we focus on the benefits and drawbacks of these methods, in terms of the reproduction of localized modes, collective modes, and the performance in partially optimized structures. We find that the PHVA is suitable for describing localized modes, that the MBH not only reproduces localized and global modes but also serves as an analysis tool of the spectrum, and that the VSA is mostly useful for the reproduction of the low frequency spectrum. These guidelines are illustrated with the reproduction of the localized amine-stretch, the spectrum of quinine and a bis-cinchona derivative, and the low frequency modes of the LAO binding protein. 2009 Wiley Periodicals, Inc.

  5. Vibrational modes of deuterium in KD2PO4

    International Nuclear Information System (INIS)

    Mizoguchi, Kohji; Agui, Akane; Tominaga, Yasunori; Nakai, Yusuke; Ikeda, Susumu.

    1993-01-01

    In order to study the deuteration effect in hydrogen-bonded compounds such as KH 2 PO 4 , hydrogen and deuterium modes in KH 2 PO 4 and K(D x H 1-x ) 2 PO 4 (x = 95 %) were investigated by means of inelastic neutron-scattering measurements over a wide energy range. By comparing Raman spectra of KH 2 PO 4 and KD 2 PO 4 with neutron-scattering spectra, the vibrational modes of deuterium and those of PO 4 tetrahedrons in the energy range of 30 < ε < 150 meV have been investigated. At least two deuterium modes have been found at 87 meV and 106 meV. (author)

  6. Vibrational modes of thin oblate clouds of charge

    International Nuclear Information System (INIS)

    Jenkins, Thomas G.; Spencer, Ross L.

    2002-01-01

    A numerical method is presented for finding the eigenfunctions (normal modes) and mode frequencies of azimuthally symmetric non-neutral plasmas confined in a Penning trap whose axial thickness is much smaller than their radial size. The plasma may be approximated as a charged disk in this limit; the normal modes and frequencies can be found if the surface charge density profile σ(r) of the disk and the trap bounce frequency profile ω z (r) are known. The dependence of the eigenfunctions and equilibrium plasma shapes on nonideal components of the confining Penning trap fields is discussed. The results of the calculation are compared with the experimental data of Weimer et al. [Phys. Rev. A 49, 3842 (1994)] and it is shown that the plasma in this experiment was probably hollow and had mode displacement functions that were concentrated near the center of the plasma

  7. On normal modes of gas sheets and discs

    International Nuclear Information System (INIS)

    Drury, L.O'C.

    1980-01-01

    A method is described for calculating the reflection and transmission coefficients characterizing normal modes of the Goldreich-Lynden-Bell gas sheet. Two families of gas discs without self-gravity for which the normal modes can be found analytically are given and used to illustrate the validity of the sheet approximation. (author)

  8. Predicting plasticity with soft vibrational modes: from dislocations to glasses.

    Science.gov (United States)

    Rottler, Jörg; Schoenholz, Samuel S; Liu, Andrea J

    2014-04-01

    We show that quasilocalized low-frequency modes in the vibrational spectrum can be used to construct soft spots, or regions vulnerable to rearrangement, which serve as a universal tool for the identification of flow defects in solids. We show that soft spots not only encode spatial information, via their location, but also directional information, via directors for particles within each soft spot. Single crystals with isolated dislocations exhibit low-frequency phonon modes that localize at the core, and their polarization pattern predicts the motion of atoms during elementary dislocation glide in two and three dimensions in exquisite detail. Even in polycrystals and disordered solids, we find that the directors associated with particles in soft spots are highly correlated with the direction of particle displacements in rearrangements.

  9. 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.

  10. Vibration modes of 3n-gaskets and other fractals

    Energy Technology Data Exchange (ETDEWEB)

    Bajorin, N; Chen, T; Dagan, A; Emmons, C; Hussein, M; Khalil, M; Mody, P; Steinhurst, B; Teplyaev, A [Department of Mathematics, University of Connecticut, Storrs CT 06269 (United States)

    2008-01-11

    We rigorously study eigenvalues and eigenfunctions (vibration modes) on the class of self-similar symmetric finitely ramified fractals, which include the Sierpinski gasket and other 3n-gaskets. We consider the classical Laplacian on fractals which generalizes the usual one-dimensional second derivative, is the generator of the self-similar diffusion process, and has possible applications as the quantum Hamiltonian. We develop a theoretical matrix analysis, including analysis of singularities, which allows us to compute eigenvalues, eigenfunctions and their multiplicities exactly. We support our theoretical analysis by symbolic and numerical computations. Our analysis, in particular, allows the computation of the spectral zeta function on fractals and the limiting distribution of eigenvalues (i.e., integrated density of states). We consider such examples as the level-3 Sierpinski gasket, a fractal 3-tree, and the diamond fractal.

  11. Bushes of vibrational modes for Fermi-Pasta-Ulam chains

    Science.gov (United States)

    Chechin, G. M.; Novikova, N. V.; Abramenko, A. A.

    2002-06-01

    Some exact solutions and multimode invariant submanifolds were found for the Fermi-Pasta-Ulam (FPU)- β model by Poggi and Ruffo [Physica D 103 (1997) 251]. In the present paper we demonstrate how results of such a type can be obtained for an arbitraryN-particle chain with periodic boundary conditions with the aid of our group-theoretical approach [Physica D 117 (1998) 43] based on the concept of bushes of normal modes in mechanical systems with discrete symmetry. The integro-differential equation describing the FPU- α dynamics in the modal space is derived. The loss of stability of the bushes of modes for the FPU- α model, in particular, for the limiting case N→∞ for the dynamical regime with displacement pattern having period twice the lattice spacing ( π-mode) is studied. Our results for the FPU- α chain are compared with those by Poggi and Ruffo for the FPU- β chain.

  12. On matrix superpotential and three-component normal modes

    Energy Technology Data Exchange (ETDEWEB)

    Rodrigues, R. de Lima [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil); Lima, A.F. de [Universidade Federal de Campina Grande (UFCG), PB (Brazil). Dept. de Fisica; Mello, E.R. Bezerra de; Bezerra, V.B. [Universidade Federal da Paraiba (UFPB), Joao Pessoa, PB (Brazil). Dept. de Fisica]. E-mails: rafael@df.ufcg.edu.br; aerlima@df.ufcg.edu.br; emello@fisica.ufpb.br; valdir@fisica.ufpb.br

    2007-07-01

    We consider the supersymmetric quantum mechanics(SUSY QM) with three-component normal modes for the Bogomol'nyi-Prasad-Sommerfield (BPS) states. An explicit form of the SUSY QM matrix superpotential is presented and the corresponding three-component bosonic zero-mode eigenfunction is investigated. (author)

  13. A Bloch mode expansion approach for analyzing quasi-normal modes in open nanophotonic structures

    DEFF Research Database (Denmark)

    de Lasson, Jakob Rosenkrantz; Kristensen, Philip Trøst; Mørk, Jesper

    2014-01-01

    We present a new method for determining quasi-normal modes in open nanophotonic structures using a modal ex- pansion technique. The outgoing wave boundary condition of the quasi-normal modes is satisfied automatically without absorbing boundaries, representing a significant advantage compared...

  14. The energy spectrum of electromagnetic normal modes in dissipative media: modes between two metal half spaces

    International Nuclear Information System (INIS)

    Sernelius, Bo E

    2008-01-01

    The energy spectrum of electromagnetic normal modes plays a central role in the theory of the van der Waals and Casimir interaction. Here we study the modes in connection with the van der Waals interaction between two metal half spaces. Neglecting dissipation leads to distinct normal modes with real-valued frequencies. Including dissipation seems to have the effect that these distinct modes move away from the real axis into the complex frequency plane. The summation of the zero-point energies of these modes render a complex-valued result. Using the contour integration, resulting from the use of the generalized argument principle, gives a real-valued and different result. We resolve this contradiction and show that the spectrum of true normal modes forms a continuum with real frequencies

  15. Quasi-Normal Modes of Stars and Black Holes

    Directory of Open Access Journals (Sweden)

    Kokkotas Kostas

    1999-01-01

    Full Text Available Perturbations of stars and black holes have been one of the main topics of relativistic astrophysics for the last few decades. They are of particular importance today, because of their relevance to gravitational wave astronomy. In this review we present the theory of quasi-normal modes of compact objects from both the mathematical and astrophysical points of view. The discussion includes perturbations of black holes (Schwarzschild, Reissner-Nordström, Kerr and Kerr-Newman and relativistic stars (non-rotating and slowly-rotating. The properties of the various families of quasi-normal modes are described, and numerical techniques for calculating quasi-normal modes reviewed. The successes, as well as the limits, of perturbation theory are presented, and its role in the emerging era of numerical relativity and supercomputers is discussed.

  16. Normal mode-guided transition pathway generation in proteins.

    Directory of Open Access Journals (Sweden)

    Byung Ho Lee

    Full Text Available The biological function of proteins is closely related to its structural motion. For instance, structurally misfolded proteins do not function properly. Although we are able to experimentally obtain structural information on proteins, it is still challenging to capture their dynamics, such as transition processes. Therefore, we need a simulation method to predict the transition pathways of a protein in order to understand and study large functional deformations. Here, we present a new simulation method called normal mode-guided elastic network interpolation (NGENI that performs normal modes analysis iteratively to predict transition pathways of proteins. To be more specific, NGENI obtains displacement vectors that determine intermediate structures by interpolating the distance between two end-point conformations, similar to a morphing method called elastic network interpolation. However, the displacement vector is regarded as a linear combination of the normal mode vectors of each intermediate structure, in order to enhance the physical sense of the proposed pathways. As a result, we can generate more reasonable transition pathways geometrically and thermodynamically. By using not only all normal modes, but also in part using only the lowest normal modes, NGENI can still generate reasonable pathways for large deformations in proteins. This study shows that global protein transitions are dominated by collective motion, which means that a few lowest normal modes play an important role in this process. NGENI has considerable merit in terms of computational cost because it is possible to generate transition pathways by partial degrees of freedom, while conventional methods are not capable of this.

  17. Mechanical detection and mode shape imaging of vibrational modes of micro and nanomechanical resonators by dynamic force microscopy

    International Nuclear Information System (INIS)

    Paulo, A S; GarcIa-Sanchez, D; Perez-Murano, F; Bachtold, A; Black, J; Bokor, J; Esplandiu, M J; Aguasca, A

    2008-01-01

    We describe a method based on the use of higher order bending modes of the cantilever of a dynamic force microscope to characterize vibrations of micro and nanomechanical resonators at arbitrarily large resonance frequencies. Our method consists on using a particular cantilever eigenmode for standard feedback control in amplitude modulation operation while another mode is used for detecting and imaging the resonator vibration. In addition, the resonating sample device is driven at or near its resonance frequency with a signal modulated in amplitude at a frequency that matches the resonance of the cantilever eigenmode used for vibration detection. In consequence, this cantilever mode is excited with an amplitude proportional to the resonator vibration, which is detected with an external lock-in amplifier. We show two different application examples of this method. In the first one, acoustic wave vibrations of a film bulk acoustic resonator around 1.6 GHz are imaged. In the second example, bending modes of carbon nanotube resonators up to 3.1 GHz are characterized. In both cases, the method provides subnanometer-scale sensitivity and the capability of providing otherwise inaccessible information about mechanical resonance frequencies, vibration amplitude values and mode shapes

  18. Normal-Mode Splitting in a Weakly Coupled Optomechanical System

    Science.gov (United States)

    Rossi, Massimiliano; Kralj, Nenad; Zippilli, Stefano; Natali, Riccardo; Borrielli, Antonio; Pandraud, Gregory; Serra, Enrico; Di Giuseppe, Giovanni; Vitali, David

    2018-02-01

    Normal-mode splitting is the most evident signature of strong coupling between two interacting subsystems. It occurs when two subsystems exchange energy between themselves faster than they dissipate it to the environment. Here we experimentally show that a weakly coupled optomechanical system at room temperature can manifest normal-mode splitting when the pump field fluctuations are antisquashed by a phase-sensitive feedback loop operating close to its instability threshold. Under these conditions the optical cavity exhibits an effectively reduced decay rate, so that the system is effectively promoted to the strong coupling regime.

  19. CASTOR: Normal-mode analysis of resistive MHD plasmas

    NARCIS (Netherlands)

    Kerner, W.; Goedbloed, J. P.; Huysmans, G. T. A.; Poedts, S.; Schwarz, E.

    1998-01-01

    The CASTOR (complex Alfven spectrum of toroidal plasmas) code computes the entire spectrum of normal-modes in resistive MHD for general tokamak configurations. The applied Galerkin method, in conjunction with a Fourier finite-element discretisation, leads to a large scale eigenvalue problem A (x)

  20. Quasi-normal modes from non-commutative matrix dynamics

    Science.gov (United States)

    Aprile, Francesco; Sanfilippo, Francesco

    2017-09-01

    We explore similarities between the process of relaxation in the BMN matrix model and the physics of black holes in AdS/CFT. Focusing on Dyson-fluid solutions of the matrix model, we perform numerical simulations of the real time dynamics of the system. By quenching the equilibrium distribution we study quasi-normal oscillations of scalar single trace observables, we isolate the lowest quasi-normal mode, and we determine its frequencies as function of the energy. Considering the BMN matrix model as a truncation of N=4 SYM, we also compute the frequencies of the quasi-normal modes of the dual scalar fields in the AdS5-Schwarzschild background. We compare the results, and we finda surprising similarity.

  1. Precise Ab-initio prediction of terahertz vibrational modes in crystalline systems

    DEFF Research Database (Denmark)

    Jepsen, Peter Uhd; Clark, Stewart J.

    2007-01-01

    We use a combination of experimental THz time-domain spectroscopy and ab-initio density functional perturbative theory to accurately predict the terahertz vibrational spectrum of molecules in the crystalline phase. Our calculations show that distinct vibrational modes found in solid-state materials...

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

    DEFF Research Database (Denmark)

    Zoccante, Alberto; Seidler, Peter; Christiansen, Ove

    2011-01-01

    In this work we show how the vibrational coupled-cluster method at the two-mode coupling level can be used to calculate zero-point vibrational averages of properties. A technique is presented, where any expectation value can be calculated using a single set of Lagrangian multipliers computed...

  3. Blade Vibration Measurement System for Characterization of Closely Spaced Modes and Mistuning, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — There are several ongoing challenges in non-contacting blade vibration and stress measurement systems that can address closely spaced modes and blade-to-blade...

  4. Sensitivity analysis of the stiffness between the frame structure and the frequency and vibration mode

    Science.gov (United States)

    Chen, Wenyuan

    2018-03-01

    The modal parameters such as natural frequency and vibration mode of the frame structure of the layer stiffness sensitivity is inconsistent. This article focuses on the theoretical derivation of the frequency and mode of the frame structure layer stiffness of the first-order sensitivity. The numerical examples show that the frame structure of layer stiffness higher than with the first order sensitivity vibration frequency.

  5. Modeling and analysis of circular flexural-vibration-mode piezoelectric transformer.

    Science.gov (United States)

    Huang, Yihua; Huang, Wei

    2010-12-01

    We propose a circular flexural-vibration-mode piezoelectric transformer and perform a theoretical analysis of the transformer. An equivalent circuit is derived from the equations of piezoelectricity and the Hamilton's principle. With this equivalent circuit, the voltage gain ratio, input impedance, and the efficiency of the circular flexural-vibration-mode piezoelectric transformer can be determined. The basic behavior of the transformer is shown by numerical results.

  6. Mode shape and natural frequency identification for seismic analysis from background vibration

    International Nuclear Information System (INIS)

    Bhan, S.; Wozniak, Z.

    1986-02-01

    The feasibility of calculating natural frequencies and mode shapes of major equipment in a CANDU reactor from the measurements of their response to background excitation has been studied. A review of vibration data measured at various locations in CANDU plants shows that structures responded to a combination of random and harmonic background excitation. Amplitude of measured vibration is sufficient to allow meaningful data analysis. Frequency content in the 0 to 50-Hz range, which is of interest for earthquake response, is present in some of the vibration measurements studied. Spectral techniques have been developed for determining the response function of structures from measured vibration response to background excitation. The natural frequencies and mode shapes are then evaluated graphically from the frequency function plots. The methodology has been tested on a simple cantilever beam with known natural frequencies and mode shapes. The comparison between the theoretical and the computed natural frequencies and mode shapes is good for the lower modes. However, better curve-fitting techniques will be required in future, especially for higher modes. Readily available equipment necessary for the measurement of background vibration in a CANDU plant (which is commercially available) has been identified. An experimental program has been proposed to verify the methodology developed in this study. Recommendations are also made to study methods to improve the accuracy of the mode shape and natural frequency prediction

  7. NOLB: Nonlinear Rigid Block Normal Mode Analysis Method

    OpenAIRE

    Hoffmann , Alexandre; Grudinin , Sergei

    2017-01-01

    International audience; We present a new conceptually simple and computationally efficient method for nonlinear normal mode analysis called NOLB. It relies on the rotations-translations of blocks (RTB) theoretical basis developed by Y.-H. Sanejouand and colleagues. We demonstrate how to physically interpret the eigenvalues computed in the RTB basis in terms of angular and linear velocities applied to the rigid blocks and how to construct a nonlinear extrapolation of motion out of these veloci...

  8. Fast Eigensolver for Computing 3D Earth's Normal Modes

    Science.gov (United States)

    Shi, J.; De Hoop, M. V.; Li, R.; Xi, Y.; Saad, Y.

    2017-12-01

    We present a novel parallel computational approach to compute Earth's normal modes. We discretize Earth via an unstructured tetrahedral mesh and apply the continuous Galerkin finite element method to the elasto-gravitational system. To resolve the eigenvalue pollution issue, following the analysis separating the seismic point spectrum, we utilize explicitly a representation of the displacement for describing the oscillations of the non-seismic modes in the fluid outer core. Effectively, we separate out the essential spectrum which is naturally related to the Brunt-Väisälä frequency. We introduce two Lanczos approaches with polynomial and rational filtering for solving this generalized eigenvalue problem in prescribed intervals. The polynomial filtering technique only accesses the matrix pair through matrix-vector products and is an ideal candidate for solving three-dimensional large-scale eigenvalue problems. The matrix-free scheme allows us to deal with fluid separation and self-gravitation in an efficient way, while the standard shift-and-invert method typically needs an explicit shifted matrix and its factorization. The rational filtering method converges much faster than the standard shift-and-invert procedure when computing all the eigenvalues inside an interval. Both two Lanczos approaches solve for the internal eigenvalues extremely accurately, comparing with the standard eigensolver. In our computational experiments, we compare our results with the radial earth model benchmark, and visualize the normal modes using vector plots to illustrate the properties of the displacements in different modes.

  9. Time-dependent local-to-normal mode transition in triatomic molecules

    Science.gov (United States)

    Cruz, Hans; Bermúdez-Montaña, Marisol; Lemus, Renato

    2018-01-01

    Time-evolution of the vibrational states of two interacting harmonic oscillators in the local mode scheme is presented. A local-to-normal mode transition (LNT) is identified and studied from temporal perspective through time-dependent frequencies of the oscillators. The LNT is established as a polyad-breaking phenomenon from the local standpoint for the stretching degrees of freedom in a triatomic molecule. This study is carried out in the algebraic representation of bosonic operators. The dynamics of the states are determined via the solutions of the corresponding nonlinear Ermakov equation and a local time-dependent polyad is obtained as a tool to identify the LNT. Applications of this formalism to H2O, CO2, O3 and NO2 molecules in the adiabatic, sudden and linear regime are considered.

  10. Interference between vibration-to-translation and vibration-to-vibration energy transfer modes in diatomic molecules at high collision energies

    International Nuclear Information System (INIS)

    Shin, H.K.

    1983-01-01

    An explicit time dependent approach for simultaneous VT and VV energy transfer in diatom--diatom collisions is explored using the exponential form of ladder operators in the solution of the Schroedinger equation of motion. The collision of two hydrogen molecules is chosen to illustrate the extent of interference between VT and VV modes among various vibrational states. While vibrational energy transfer processes of nominally VT type can be treated with pure VT mode at low collision energies, the intermode coupling is found to be very important at collision energies of several hω. The occurrence of the coupling appears to be nearly universal in vibrational transitions at such energies. Exceptions to the coupling have been discussed

  11. 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.

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

    International Nuclear Information System (INIS)

    Barthes, M.; Moret, J.; Eckert, J.; Johnson, S.W.; Swanson, B.I.; Unkefer, C.J.

    1991-01-01

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

  13. Normal mode approach to modelling of feedback stabilization of the resistive wall mode

    International Nuclear Information System (INIS)

    Chu, M.S.; Chance, M.S.; Okabayashi, M.; Glasser, A.H.

    2003-01-01

    Feedback stabilization of the resistive wall mode (RWM) of a plasma in a general feedback configuration is formulated in terms of the normal modes of the plasma-resistive wall system. The growth/damping rates and the eigenfunctions of the normal modes are determined by an extended energy principle for the plasma during its open (feedback) loop operation. A set of equations are derived for the time evolution of these normal modes with currents in the feedback coils. The dynamics of the feedback system is completed by the prescription of the feedback logic. The feasibility of the feedback is evaluated by using the Nyquist diagram method or by solving the characteristic equations. The elements of the characteristic equations are formed from the growth and damping rates of the normal modes, the sensor matrix of the perturbation fluxes detected by the sensor loops, the excitation matrix of the energy input to the normal modes by the external feedback coils, and the feedback logic. (The RWM is also predicted to be excited by an external error field to a large amplitude when it is close to marginal stability.) This formulation has been implemented numerically and applied to the DIII-D tokamak. It is found that feedback with poloidal sensors is much more effective than feedback with radial sensors. Using radial sensors, increasing the number of feedback coils from a central band on the outboard side to include an upper and a lower band can substantially increase the effectiveness of the feedback system. The strength of the RWM that can be stabilized is increased from γτ w = 1 to 30 (γ is the growth rate of the RWM in the absence of feedback and τ w is the resistive wall time constant) Using poloidal sensors, just one central band of feedback coils is sufficient for the stabilization of the RWM with γτ w = 30. (author)

  14. Generation of three-mode nonclassical vibrational states of ions

    International Nuclear Information System (INIS)

    Nguyen Ba An; Truong Minh Duc

    2002-01-01

    We propose using eight lasers with appropriate orientations and conditions to generate stable trio coherent states of an ion in a three-dimensional isotropic trap. Seven lasers whose orientations are important should be detuned to the third lower sideband of the ion vibrational motion. The eighth laser whose direction is not important should be in resonance with the ionic transition

  15. Wormhole potentials and throats from quasi-normal modes

    Science.gov (United States)

    Völkel, Sebastian H.; Kokkotas, Kostas D.

    2018-05-01

    Exotic compact objects refer to a wide class of black hole alternatives or effective models to describe phenomenologically quantum gravitational effects on the horizon scale. In this work we show how the knowledge of the quasi-normal mode spectrum of non-rotating wormhole models can be used to reconstruct the effective potential that appears in perturbation equations. From this it is further possible to obtain the parameters that characterize the specific wormhole model, which in this paper was chosen to be the one by Damour and Solodukhin. We also address the question whether one can distinguish such type of wormholes from ultra compact stars, if only the quasi-normal mode spectrum is known. We have proven that this is not possible by using the trapped modes only, but requires additional information. The inverse method presented here is an extension of work that has previously been developed and applied to the oscillation spectra of ultra compact stars and gravastars. However, it is not limited to the study of exotic compact objects, but applicable to symmetric double barrier potentials that appear in one-dimensional wave equations. Therefore we think it can be of interest for other fields too.

  16. Normal Modes of Magnetized Finite Two-Dimensional Yukawa Crystals

    Science.gov (United States)

    Marleau, Gabriel-Dominique; Kaehlert, Hanno; Bonitz, Michael

    2009-11-01

    The normal modes of a finite two-dimensional dusty plasma in an isotropic parabolic confinement, including the simultaneous effects of friction and an external magnetic field, are studied. The ground states are found from molecular dynamics simulations with simulated annealing, and the influence of screening, friction, and magnetic field on the mode frequencies is investigated in detail. The two-particle problem is solved analytically and the limiting cases of weak and strong magnetic fields are discussed.[4pt] [1] C. Henning, H. K"ahlert, P. Ludwig, A. Melzer, and M.Bonitz. J. Phys. A 42, 214023 (2009)[2] B. Farokhi, M. Shahmansouri, and P. K. Shukla. Phys.Plasmas 16, 063703 (2009)[3] L. Cândido, J.-P. Rino, N. Studart, and F. M. Peeters. J. Phys.: Condens. Matter 10, 11627--11644 (1998)

  17. Normal Mode Analysis in Zeolites: Toward an Efficient Calculation of Adsorption Entropies.

    Science.gov (United States)

    De Moor, Bart A; Ghysels, An; Reyniers, Marie-Françoise; Van Speybroeck, Veronique; Waroquier, Michel; Marin, Guy B

    2011-04-12

    An efficient procedure for normal-mode analysis of extended systems, such as zeolites, is developed and illustrated for the physisorption and chemisorption of n-octane and isobutene in H-ZSM-22 and H-FAU using periodic DFT calculations employing the Vienna Ab Initio Simulation Package. Physisorption and chemisorption entropies resulting from partial Hessian vibrational analysis (PHVA) differ at most 10 J mol(-1) K(-1) from those resulting from full Hessian vibrational analysis, even for PHVA schemes in which only a very limited number of atoms are considered free. To acquire a well-conditioned Hessian, much tighter optimization criteria than commonly used for electronic energy calculations in zeolites are required, i.e., at least an energy cutoff of 400 eV, maximum force of 0.02 eV/Å, and self-consistent field loop convergence criteria of 10(-8) eV. For loosely bonded complexes the mobile adsorbate method is applied, in which frequency contributions originating from translational or rotational motions of the adsorbate are removed from the total partition function and replaced by free translational and/or rotational contributions. The frequencies corresponding with these translational and rotational modes can be selected unambiguously based on a mobile block Hessian-PHVA calculation, allowing the prediction of physisorption entropies within an accuracy of 10-15 J mol(-1) K(-1) as compared to experimental values. The approach presented in this study is useful for studies on other extended catalytic systems.

  18. Recovering Intrinsic Fragmental Vibrations Using the Generalized Subsystem Vibrational Analysis.

    Science.gov (United States)

    Tao, Yunwen; Tian, Chuan; Verma, Niraj; Zou, Wenli; Wang, Chao; Cremer, Dieter; Kraka, Elfi

    2018-05-08

    Normal vibrational modes are generally delocalized over the molecular system, which makes it difficult to assign certain vibrations to specific fragments or functional groups. We introduce a new approach, the Generalized Subsystem Vibrational Analysis (GSVA), to extract the intrinsic fragmental vibrations of any fragment/subsystem from the whole system via the evaluation of the corresponding effective Hessian matrix. The retention of the curvature information with regard to the potential energy surface for the effective Hessian matrix endows our approach with a concrete physical basis and enables the normal vibrational modes of different molecular systems to be legitimately comparable. Furthermore, the intrinsic fragmental vibrations act as a new link between the Konkoli-Cremer local vibrational modes and the normal vibrational modes.

  19. A nonlinear multi-mode wideband piezoelectric vibration-based energy harvester using compliant orthoplanar spring

    Energy Technology Data Exchange (ETDEWEB)

    Dhote, Sharvari, E-mail: sharvari.dhote@mail.utoronto.ca; Zu, Jean; Zhu, Yang [Department of Mechanical and Industrial Engineering, University of Toronto, 5 King' s College Road, Toronto, Ontario M5S-3G8 (Canada)

    2015-04-20

    In this paper, a nonlinear wideband multi-mode piezoelectric vibration-based energy harvester (PVEH) is proposed based on a compliant orthoplanar spring (COPS), which has an advantage of providing multiple vibration modes at relatively low frequencies. The PVEH is made of a tri-leg COPS flexible structure, where three fixed-guided beams are capable of generating strong nonlinear oscillations under certain base excitation. A prototype harvester was fabricated and investigated through both finite-element analysis and experiments. The frequency response shows multiple resonance which corresponds to a hardening type of nonlinear resonance. By adding masses at different locations on the COPS structure, the first three vibration modes are brought close to each other, where the three hardening nonlinear resonances provide a wide bandwidth for the PVEH. The proposed PVEH has enhanced performance of the energy harvester in terms of a wide frequency bandwidth and a high-voltage output under base excitations.

  20. Mode shape combination in a two-dimensional vibration energy harvester through mass loading structural modification

    Energy Technology Data Exchange (ETDEWEB)

    Sharpes, Nathan; Kumar, Prashant [Center for Energy Harvesting Materials and Systems (CEHMS), Virginia Tech, Blacksburg, Virginia 24061 (United States); Abdelkefi, Abdessattar; Abdelmoula, Hichem [Department of Mechanical and Aerospace Engineering, New Mexico State University, Las Cruces, New Mexico 88003 (United States); Adler, Jan [Center for Energy Harvesting Materials and Systems (CEHMS), Virginia Tech, Blacksburg, Virginia 24061 (United States); Institute of Dynamics and Vibration Research (IDS), Leibniz Universität, Hannover 30167 (Germany); Priya, Shashank [Center for Energy Harvesting Materials and Systems (CEHMS), Virginia Tech, Blacksburg, Virginia 24061 (United States); Bio-Inspired Materials and Devices Laboratory (BMDL), Virginia Tech, Blacksburg, Virginia 24061 (United States)

    2016-07-18

    Mode shapes in the design of mechanical energy harvesters, as a means of performance increase, have been largely overlooked. Currently, the vast majority of energy harvester designs employ some variation of a single-degree-of-freedom cantilever, and the mode shapes of such beams are well known. This is especially true for the first bending mode, which is almost exclusively the chosen vibration mode for energy harvesting. Two-dimensional beam shapes (those which curve, meander, spiral, etc., in a plane) have recently gained research interest, as they offer freedom to modify the vibration characteristics of the harvester beam for achieving higher power density. In this study, the second bending mode shape of the “Elephant” two-dimensional beam shape is examined, and its interaction with the first bending mode is evaluated. A combinatory mode shape created by using mass loading structural modification to lower the second bending modal frequency was found to interact with the first bending mode. This is possible since the first two bending modes do not share common areas of displacement. The combined mode shape is shown to produce the most power of any of the considered mode shapes.

  1. 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)

  2. A New Normal Form for Multidimensional Mode Conversion

    International Nuclear Information System (INIS)

    Tracy, E. R.; Richardson, A. S.; Kaufman, A. N.; Zobin, N.

    2007-01-01

    Linear conversion occurs when two wave types, with distinct polarization and dispersion characteristics, are locally resonant in a nonuniform plasma [1]. In recent work, we have shown how to incorporate a ray-based (WKB) approach to mode conversion in numerical algorithms [2,3]. The method uses the ray geometry in the conversion region to guide the reduction of the full NxN-system of wave equations to a 2x2 coupled pair which can be solved and matched to the incoming and outgoing WKB solutions. The algorithm in [2] assumes the ray geometry is hyperbolic and that, in ray phase space, there is an 'avoided crossing', which is the most common type of conversion. Here, we present a new formulation that can deal with more general types of conversion [4]. This formalism is based upon the fact (first proved in [5]) that it is always possible to put the 2x2 wave equation into a 'normal' form, such that the diagonal elements of the dispersion matrix Poisson-commute with the off-diagonals (at leading order). Therefore, if we use the diagonals (rather than the eigenvalues or the determinant) of the dispersion matrix as ray Hamiltonians, the off-diagonals will be conserved quantities. When cast into normal form, the 2x2 dispersion matrix has a very natural physical interpretation: the diagonals are the uncoupled ray hamiltonians and the off-diagonals are the coupling. We discuss how to incorporate the normal form into ray tracing algorithms

  3. Multiple soft-mode vibrations of lead zirconate

    Czech Academy of Sciences Publication Activity Database

    Hlinka, Jiří; Ostapchuk, Tetyana; Buixaderas, Elena; Kadlec, Christelle; Kužel, Petr; Gregora, Ivan; Kroupa, Jan; Savinov, Maxim; Klíč, Antonín; Drahokoupil, Jan; Etxebarria, I.; Dec, J.

    2014-01-01

    Roč. 112, č. 19 (2014), "197601-1"-"197601-5" ISSN 0031-9007 R&D Projects: GA ČR GA13-15110S Institutional support: RVO:68378271 Keywords : antiferroelectric * soft mode * polarized spectra Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 7.512, year: 2014

  4. 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.

  5. 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.

  6. Neutrino induced vorticity, Alfven waves and the normal modes

    Energy Technology Data Exchange (ETDEWEB)

    Bhatt, Jitesh R. [Theory Division, Physical Research Laboratory, Ahmedabad (India); George, Manu [Theory Division, Physical Research Laboratory, Ahmedabad (India); Indian Institute of Technology, Department of Physics, Ahmedabad (India)

    2017-08-15

    We consider a plasma consisting of electrons and ions in the presence of a background neutrino gas and develop the magnetohydrodynamic equations for the system. We show that the electron neutrino interaction can induce vorticity in the plasma even in the absence of any electromagnetic perturbations if the background neutrino density is left-right asymmetric. This induced vorticity supports a new kind of Alfven wave whose velocity depends on both the external magnetic field and on the neutrino asymmetry. The normal mode analysis show that in the presence of neutrino background the Alfven waves can have different velocities. We also discuss our results in the context of dense astrophysical plasma such as magnetars and show that the difference in the Alfven velocities can be used to explain the observed pulsar kick. We discuss also the relativistic generalisation of the electron fluid in presence of an asymmetric neutrino background. (orig.)

  7. Tailoring vibration mode shapes using topology optimization and functionally graded material concepts

    International Nuclear Information System (INIS)

    Rubio, Wilfredo Montealegre; Paulino, Glaucio H; Silva, Emilio Carlos Nelli

    2011-01-01

    Tailoring specified vibration modes is a requirement for designing piezoelectric devices aimed at dynamic-type applications. A technique for designing the shape of specified vibration modes is the topology optimization method (TOM) which finds an optimum material distribution inside a design domain to obtain a structure that vibrates according to specified eigenfrequencies and eigenmodes. Nevertheless, when the TOM is applied to dynamic problems, the well-known grayscale or intermediate material problem arises which can invalidate the post-processing of the optimal result. Thus, a more natural way for solving dynamic problems using TOM is to allow intermediate material values. This idea leads to the functionally graded material (FGM) concept. In fact, FGMs are materials whose properties and microstructure continuously change along a specific direction. Therefore, in this paper, an approach is presented for tailoring user-defined vibration modes, by applying the TOM and FGM concepts to design functionally graded piezoelectric transducers (FGPT) and non-piezoelectric structures (functionally graded structures—FGS) in order to achieve maximum and/or minimum vibration amplitudes at certain points of the structure, by simultaneously finding the topology and material gradation function. The optimization problem is solved by using sequential linear programming. Two-dimensional results are presented to illustrate the method

  8. Natural Frequencies and Vibrating Modes for a Magnetic Planetary Gear Drive

    Directory of Open Access Journals (Sweden)

    Lizhong Xu

    2012-01-01

    Full Text Available In this paper, a dynamic model for a magnetic planetary gear drive is proposed. Based on the model, the dynamic equations for the magnetic planetary gear drive are given. From the magnetic meshing forces and torques between the elements for the drive system, the tangent and radial magnetic meshing stiffness is obtained. Using these equations, the natural frequencies and the modes of the magnetic planetary gear drive are investigated. The sensitivity of the natural frequencies to the system parameters is discussed. Results show that the pole pair number and the air gap have obvious effects on the natural frequencies. For the planetary gear number larger than two, the vibrations of the drive system include the torsion mode of the center elements, the translation mode of the center elements, and the planet modes. For the planetary gear number equal to two, the planet mode does not occur, the crown mode and the sun gear mode occur.

  9. Phonon Transport at Crystalline Si/Ge Interfaces: The Role of Interfacial Modes of Vibration

    Science.gov (United States)

    Gordiz, Kiarash; Henry, Asegun

    2016-01-01

    We studied the modal contributions to heat conduction at crystalline Si and crystalline Ge interfaces and found that more than 15% of the interface conductance arises from less than 0.1% of the modes in the structure. Using the recently developed interface conductance modal analysis (ICMA) method along with a new complimentary methodology, we mapped the correlations between modes, which revealed that a small group of interfacial modes, which exist between 12–13 THz, exhibit extremely strong correlation with other modes in the system. It is found that these interfacial modes (e.g., modes with large eigen vectors for interfacial atoms) are enabled by the degree of anharmonicity near the interface, which is higher than in the bulk, and therefore allows this small group of modes to couple to all others. The analysis sheds light on the nature of localized vibrations at interfaces and can be enlightening for other investigations of localization. PMID:26979787

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

    Science.gov (United States)

    Hahn, Seungsoo

    2016-10-28

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

  12. Coherent dynamics of the localized vibrational modes of hydrogen in CaF2

    NARCIS (Netherlands)

    Wells, J. P. R.; Rella, C. W.; Bradley, I. V.; Galbraith, I.; Pidgeon, C. R.

    2000-01-01

    We report the observation of giant quantum coherence effects in the localized modes of ionized hydrogen in synthetic fluorite. Infrared free induction decay experiments on the substitutional H+ center thew dramatic modulations at negative delay times due to interference between multiple vibrational

  13. Single mode optical fiber vibration sensor: design and development

    Science.gov (United States)

    Alanis-Carranza, L. E.; Alvarez-Chavez, J. A.; Perez-Sanchez, G. G.; Sierra-Calderon, A.; Rodriguez-Novelo, J. C.

    2016-09-01

    This work deals with the design and development of an SMF28-based vibration detector including the fiber segment, the data acquisition via an NI-USB-6212 card, the data processing code in Visual Basic and the signal spectrum obtained via Fourier analysis. The set-up consists of a regulated voltage source at 2.6V, 300mA, which serves as the power source for a 980nm semiconductor laser operating at 150mW which is fiber coupled into a 20m-piece of SMF-28 fiber. Perpendicular to such fiber the perturbations ranged from 1 to 100 kHz, coming from a DC motor at 12 Volts. At the detection stage, a simple analog filter and a commercial photo diode were employed for data acquisition, before a transimpedance amplification stage reconstructed the signal into the National Instruments data acquisition card. At the output, the signals Fourier transformation allows the signal to be displayed in a personal computer. The presentation will include a full electrical and optical characterization of the device and preliminary sensing results, which could be suitable for structural health monitoring applications.

  14. A design of a mode converter for electron cyclotron heating by the method of normal mode expansion

    International Nuclear Information System (INIS)

    Hoshino, Katsumichi; Kawashima, Hisato; Hata, Kenichiro; Yamamoto, Takumi

    1983-09-01

    Mode conversion of electromagnetic wave propagating in the over-size circular waveguide is attained by giving a periodical perturbation in the guide wall. Mode coupling equation is expressed by ''generalized telegraphist's equations'' which are derived from the Maxwell's equations using a normal mode expansion. A computer code to solve the coupling equations is developed and mode amplitude, conversion efficiency, etc. of a particular type of mode converter for the 60 GHz electron cyclotron heating are obtained. (author)

  15. Measurement of vibration mode shape by using Hilbert transform

    International Nuclear Information System (INIS)

    Kang, Min Sig

    2001-01-01

    This paper concerns on modal analysis of mechanical structures by using a continuous scanning laser Doppler vibrometer. In modal analysis the Hilbert transform based approach is superior to the Fourier transform based approach because of its fine accuracy and its flexible experimental settings. In this paper the Hilbert transform based approach is extended to measure area mode shape data of a structure by simply modifying the scanning pattern ranging the entire surface of the structure. The effectiveness of this proposed method is illustrated along with results of numerical simulation for a rectangular plate

  16. Dynamic analysis to establish normal shock and vibration of radioactive material shipping packages

    International Nuclear Information System (INIS)

    Fields, S.R.

    1980-01-01

    A computer model, CARDS (Cask-Railcar Dynamic Simulator) was developed to provide input data for a broad range of radioactive material package-tiedown structural assessments. CARDS simulates the dynamic behavior of shipping packages and their transporters during normal transport conditions. The model will be used to identify parameters which significantly affect the normal shock and vibration environments which, in turn, provide the basis for determining the forces transmitted to the packages

  17. Mode pattern of internal flow in a water droplet on a vibrating hydrophobic surface.

    Science.gov (United States)

    Kim, Hun; Lim, Hee-Chang

    2015-06-04

    The objective of this study is to understand the mode pattern of the internal flow in a water droplet placed on a hydrophobic surface that periodically and vertically vibrates. As a result, a water droplet on a vibrating hydrophobic surface has a typical shape that depends on each resonance mode, and, additionally, we observed a diversified lobe size and internal flows in the water droplet. The size of each lobe at the resonance frequency was relatively greater than that at the neighboring frequencies, and the internal flow of the nth order mode was also observed in the flow visualization. In general, large symmetrical flow streams were generated along the vertical axis in each mode, with a large circulating movement from the bottom to the top, and then to the triple contact line along the droplet surface. In contrast, modes 2 and 4 generated a Y-shaped flow pattern, in which the flow moved to the node point in the lower part of the droplet, but modes 6 and 8 had similar patterns, with only a little difference. In addition, as a result of the PIV measurement, while the flow velocity of mode 4 was faster than that of model 2, those of modes 6 and 8 were almost similar.

  18. Vibrational mode and sound radiation of electrostatic speakers using circular and annular diaphragms

    Science.gov (United States)

    Huang, Yu-Hsi; Chiang, Hsin-Yuan

    2016-06-01

    This study modeled two diaphragms comprising a pair of indium tin oxide (ITO) transparent plates sandwiching a vibrating diaphragm to create circular (30 mm radius) and annular (30 mm outer and 3 mm inner radius) push-pull electrostatic speakers. We then measured the displacement amplitudes and mode shapes produced by the devices. Vibration characteristics were used to predict sound pressure levels (SPLs) using the lumped parameter method (LPM) and distributed parameter method (DPM). The two measurement results obtained using a laser system were compared to the SPLs obtained using traditional acoustic measurement (AM) from 20 Hz to 20 kHz in order to verify our predictions. When using LPM and DPM, the SPL prediction results in the first three symmetric modes were in good agreement with the AM results. Under the assumption of linear operations, the DPM and amplitude-fluctuation electronic speckle pattern interferometry (ESPI) techniques proved effective in determining the visualization of mode shape (0,1)-(0,3). The use of ITO plates is a practical technique for the prediction of SPL, as well as measurement of mode shapes. The four evaluation methods, i.e. LPM, DPM, ESPI and AM, present a high degree of consistency with regard to vibrational mode and sound radiation characteristics.

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

    Science.gov (United States)

    Lerner, Edan; Bouchbinder, Eran

    2017-08-01

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

  20. Recent Advances In Structural Vibration And Failure Mode Control In Mainland China: Theory, Experiments And Applications

    International Nuclear Information System (INIS)

    Li Hui; Ou Jinping

    2008-01-01

    A number of researchers have been focused on structural vibration control in the past three decades over the world and fruit achievements have been made. This paper introduces the recent advances in structural vibration control including passive, active and semiactive control in mainland China. Additionally, the co-author extends the structural vibration control to failure mode control. The research on the failure mode control is also involved in this paper. For passive control, this paper introduces full scale tests of buckling-restrained braces conducted to investigate the performance of the dampers and the second-editor of the Code of Seismic Design for Buildings. For active control, this paper introduces the HMD system for wind-induced vibration control of the Guangzhou TV tower. For semiactive control, the smart damping devices, algorithms for semi-active control, design methods and applications of semi-active control for structures are introduced in this paper. The failure mode control for bridges is also introduced

  1. Orientations of nonlocal vibrational modes from combined experimental and theoretical sum frequency spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Chase, Hilary M.; Chen, Shunli; Fu, Li; Upshur, Mary Alice; Rudshteyn, Benjamin; Thomson, Regan J.; Wang, Hong-Fei; Batista, Victor S.; Geiger, Franz M.

    2017-09-01

    Inferring molecular orientations from vibrational sum frequency generation (SFG) spectra is challenging in polarization combinations that result in low signal intensities, or when the local point group symmetry approximation fails. While combining experiments with density functional theory (DFT) could overcome this problem, the scope of the combined method has yet to be established. Here, we assess its feasibility of determining the distributions of molecular orientations for one monobasic ester, two epoxides and three alcohols at the vapor/fused silica interface. We find that molecular orientations of nonlocal vibrational modes cannot be determined using polarization-resolved SFG measurements alone.

  2. The application of infrared synchrotron radiation to the study of interfacial vibrational modes

    International Nuclear Information System (INIS)

    Hirschmugl, C.J.; Williams, G.P.

    1992-01-01

    Synchrotron radiation provides an extremely bright broad-band source in the infrared which is ideally suited to the study of surface and interface vibrational modes in the range 50--3,000 cm -1 . Thus it covers the important range of molecule-substrate interactions, as well as overlapping with the more easily accessible near-ir region where molecular internal modes are found. Compared to standard broadband infrared sources such as globars, not only is it 1,000 times brighter, but its emittance matches the phase-space of the electrochemical cell leading to full utilization of this brightness advantage. In addition, the source is more stable even than water-cooled globars in vacuum for both short-term and long-term fluctuations. The authors summarize the properties of synchrotron radiation in the infrared, in particular pointing out the distinct differences between this and the x-ray region. They use experimental data in discussing important issues of signal to noise and address the unique problems and advantages of the synchrotron source. Thus they emphasize the important considerations necessary for developing new facilities. This analysis then leads to a discussion of phase-space matching to electrochemical cells, and to other surfaces in vacuum. Finally they show several examples of the application of infrared synchrotron radiation to surface vibrational spectroscopy. The examples are for metal crystal surfaces in ultra-high vacuum and include CO/Cu(100) and (111) and CO/K/Cu(100). The experiments show how the stability of the synchrotron source allows subtle changes in the background to be observed in addition to the discrete vibrational modes. These changes are due to electronic states induced by the adsorbate. In some cases the authors have seen interferences between these and the discrete vibrational modes, leading to a breakdown of the dipole selection rules, and the observation of additional modes

  3. Far-infrared vibrational modes of DNA components studied by terahertz time-domain spectroscopy

    International Nuclear Information System (INIS)

    Fischer, B M; Walther, M; Jepsen, P Uhd

    2002-01-01

    The far-infrared dielectric function of a wide range of organic molecules is dominated by vibrations involving a substantial fraction of the atoms forming the molecule and motion associated with intermolecular hydrogen bond vibrations. Due to their collective nature such modes are highly sensitive to the intra- and intermolecular structure and thus provide a unique fingerprint of the conformational state of the molecule and effects of its environment. We demonstrate the use of terahertz time-domain spectroscopy (THz-TDS) for recording the far-infrared (0.5-4.0 THz) dielectric function of the four nucleobases and corresponding nucleosides forming the building blocks of deoxyribose nucleic acid (DNA). We observe numerous distinct spectral features with large differences between the molecules in both frequency-dependent absorption coefficient and index of refraction. Assisted by results from density-functional calculations we interpret the origin of the observed resonances as vibrations of hydrogen bonds between the molecules

  4. Antidepressants normalize the default mode network in patients with dysthymia.

    Science.gov (United States)

    Posner, Jonathan; Hellerstein, David J; Gat, Inbal; Mechling, Anna; Klahr, Kristin; Wang, Zhishun; McGrath, Patrick J; Stewart, Jonathan W; Peterson, Bradley S

    2013-04-01

    The default mode network (DMN) is a collection of brain regions that reliably deactivate during goal-directed behaviors and is more active during a baseline, or so-called resting, condition. Coherence of neural activity, or functional connectivity, within the brain's DMN is increased in major depressive disorder relative to healthy control (HC) subjects; however, whether similar abnormalities are present in persons with dysthymic disorder (DD) is unknown. Moreover, the effect of antidepressant medications on DMN connectivity in patients with DD is also unknown. To use resting-state functional-connectivity magnetic resonance imaging (MRI) to study (1) the functional connectivity of the DMN in subjects with DD vs HC participants and (2) the effects of antidepressant therapy on DMN connectivity. After collecting baseline MRI scans from subjects with DD and HC participants, we enrolled the participants with DD into a 10-week prospective, double-blind, placebo-controlled trial of duloxetine and collected MRI scans again at the conclusion of the study. Enrollment occurred between 2007 and 2011. University research institute. Volunteer sample of 41 subjects with DD and 25 HC participants aged 18 to 53 years. Control subjects were group matched to patients with DD by age and sex. We used resting-state functional-connectivity MRI to measure the functional connectivity of the brain's DMN in persons with DD compared with HC subjects, and we examined the effects of treatment with duloxetine vs placebo on DMN connectivity. Of the 41 subjects with DD, 32 completed the clinical trial and MRI scans, along with the 25 HC participants. At baseline, we found that the coherence of neural activity within the brain's DMN was greater in persons with DD compared with HC subjects. Following a 10-week clinical trial, we found that treatment with duloxetine, but not placebo, normalized DMN connectivity. The baseline imaging findings are consistent with those found in patients with major

  5. Resolving fine spectral features in lattice vibrational modes using femtosecond coherent spectroscopy

    Directory of Open Access Journals (Sweden)

    A. Card

    2016-02-01

    Full Text Available We show resolution of fine spectral features within several Raman active vibrational modes in potassium titanyl phosphate (KTP crystal. Measurements are performed using a femtosecond time-domain coherent anti-Stokes Raman scattering spectroscopy technique that is capable of delivering equivalent spectral resolution of 0.1 cm−1. The Raman spectra retrieved from our measurements show several spectral components corresponding to vibrations of different symmetry with distinctly different damping rates. In particular, linewidths for unassigned optical phonon mode triplet centered at around 820 cm−1 are found to be 7.5 ± 0.2 cm−1, 9.1 ± 0.3 cm−1, and 11.2 ± 0.3 cm−1. Results of our experiments will ultimately help to design an all-solid-state source for sub-optical-wavelength waveform generation that is based on stimulated Raman scattering.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-05-07

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

  7. A pragmatic approach to including complex natural modes of vibration in aeroelastic analysis

    CSIR Research Space (South Africa)

    Van Zyl, Lourens H

    2015-09-01

    Full Text Available complex natural modes of vibration in aeroelastic analysis Louw van Zyl International Aerospace Symposium of South Africa 14 to 16 September, 2015 Stellenbosch, South Africa Slide 2 © CSIR 2006 www.csir.co.za Problem statement..., the square of the angular frequencies in radians per second) [ ]{ } [ ]{ } [ ]{ } { }fxKxCxM =++ &&& [ ]{ } [ ]{ } 0=+ xKxMs2 Slide 4 © CSIR 2006 www.csir.co.za Structural Dynamics (continued) • The corresponding eigenvectors are real...

  8. Atomistic theory for the damping of vibrational modes in monoatomic gold chains

    DEFF Research Database (Denmark)

    Engelund, Mads; Brandbyge, Mads; Jauho, Antti-Pekka

    2009-01-01

    We develop a computational method for evaluating the damping of vibrational modes in monatomic metallic chains suspended between bulk crystals under external strain. The damping is due to the coupling between the chain and contact modes and the phonons in the bulk substrates. The geometry of the ...... in the harmonic damping is possible even for relatively small changes in the strain. Such detailed insight is necessary for a quantitative analysis of damping in metallic atomic chains and in explaining the rich phenomenology seen in the experiments....

  9. Anomalous vibrational modes in acetanilide: a F.D.S. incoherent inelastic neutron scattering study

    Science.gov (United States)

    Barthes, Mariette; Eckert, Juergen; Johnson, Susanna W.; Moret, Jacques; Swanson, Basil I.; Unkefer, Clifford J.

    The origin of the anomalous infra-red and Raman modes in acetanilide (C6H5NHCOCH3, or ACN)(1) , remains a subject of considerable controversy. One family of theoretical models involves Davydov-like solitons (2) nonlinear vibrational coupling (3), or "polaronic" localized modes (4)(5). An alternative interpretation of the extra-bands in terms of a Fermi resonance was proposed (6) and recently the existence of slightly non-degenerate hydrogen atom configurations (7) in the H-bond was suggested as an explanation for the anomalies.

  10. Vibration Control of Flexible Mode for a Beam-Type Substrate Transport Robot

    Directory of Open Access Journals (Sweden)

    Cheol Hoon Park

    2013-07-01

    Full Text Available Beam-type substrate transport robots are widely used to handle substrates, especially in the solar cell manufacturing process. To reduce the takt time and increase productivity, accurate position control becomes increasingly important as the size of the substrate increases. However, the vibration caused by the flexible forks in beam-type robots interferes with accurate positioning, which results in long takt times in the manufacturing process. To minimize the vibration and transport substrates on the fork as fast as possible, the trajectories should be prevented from exciting the flexible modes of the forks. For this purpose, a fifth-order polynomial trajectory generator and input shaping were incorporated into the controller of the beam-type robot in this study. The flexible modes of the forks were identified by measuring the frequency response function (FRF, and the input shaping was designed so as not to excite the flexible modes. The controller was implemented by using MATLAB/xPC Target. In this paper, the design procedure of input shaping and its effectiveness for vibration attenuation in both “no load” and “load” cases is presented.

  11. A MEMS Resonant Sensor to Measure Fluid Density and Viscosity under Flexural and Torsional Vibrating Modes

    Directory of Open Access Journals (Sweden)

    Libo Zhao

    2016-06-01

    Full Text Available Methods to calculate fluid density and viscosity using a micro-cantilever and based on the resonance principle were put forward. Their measuring mechanisms were analyzed and the theoretical equations to calculate the density and viscosity were deduced. The fluid-solid coupling simulations were completed for the micro-cantilevers with different shapes. The sensing chips with micro-cantilevers were designed based on the simulation results and fabricated using the micro electromechanical systems (MEMS technology. Finally, the MEMS resonant sensor was packaged with the sensing chip to measure the densities and viscosities of eight different fluids under the flexural and torsional vibrating modes separately. The relative errors of the measured densities from 600 kg/m3 to 900 kg/m3 and viscosities from 200 μPa·s to 1000 μPa·s were calculated and analyzed with different microcantilevers under various vibrating modes. The experimental results showed that the effects of the shape and vibrating mode of micro-cantilever on the measurement accuracies of fluid density and viscosity were analyzed in detail.

  12. Revealing silent vibration modes of nanomaterials by detecting anti-Stokes hyper-Raman scattering with femtosecond laser pulses.

    Science.gov (United States)

    Zeng, Jianhua; Chen, Lei; Dai, Qiaofeng; Lan, Sheng; Tie, Shaolong

    2016-01-21

    We proposed a scheme in which normal Raman scattering is coupled with hyper-Raman scattering for generating a strong anti-Stokes hyper-Raman scattering in nanomaterials by using femtosecond laser pulses. The proposal was experimentally demonstrated by using a single-layer MoS2 on a SiO2/Si substrate, a 17 nm-thick MoS2 on an Au/SiO2 substrate and a 9 nm-thick MoS2 on a SiO2-SnO2/Ag/SiO2 substrate which were confirmed to be highly efficient for second harmonic generation. A strong anti-Stokes hyper-Raman scattering was also observed in other nanomaterials possessing large second-order susceptibilities, such as silicon quantum dots self-assembled into "coffee" rings and tubular Cu-doped ZnO nanorods. In all the cases, many Raman inactive vibration modes were clearly revealed in the anti-Stokes hyper-Raman scattering. Apart from the strong anti-Stokes hyper-Raman scattering, Stokes hyper-Raman scattering with small Raman shifts was detected during the ablation process of thick MoS2 layers. It was also observed by slightly defocusing the excitation light. The detection of anti-Stokes hyper-Raman scattering may serve as a new technique for studying the Raman inactive vibration modes in nanomaterials.

  13. Comparative Study of Various Normal Mode Analysis Techniques Based on Partial Hessians

    OpenAIRE

    GHYSELS, AN; VAN SPEYBROECK, VERONIQUE; PAUWELS, EWALD; CATAK, SARON; BROOKS, BERNARD R.; VAN NECK, DIMITRI; WAROQUIER, MICHEL

    2010-01-01

    Standard normal mode analysis becomes problematic for complex molecular systems, as a result of both the high computational cost and the excessive amount of information when the full Hessian matrix is used. Several partial Hessian methods have been proposed in the literature, yielding approximate normal modes. These methods aim at reducing the computational load and/or calculating only the relevant normal modes of interest in a specific application. Each method has its own (dis)advantages and...

  14. Measurement of correlations between low-frequency vibrational modes and particle rearrangements in quasi-two-dimensional colloidal glasses

    NARCIS (Netherlands)

    Chen, K.; Manning, M.L.; Yunker, P.J.; Ellenbroek, W.G.; Zhang, Zexin; Liu, Andrea J.; Yodh, A.G.

    2011-01-01

    We investigate correlations between low-frequency vibrational modes and rearrangements in two-dimensional colloidal glasses composed of thermosensitive microgel particles, which readily permit variation of the sample packing fraction. At each packing fraction, the particle displacement covariance

  15. Shock and vibration environments encountered during normal rail transportation of heavy cargo

    International Nuclear Information System (INIS)

    Magnuson, C.F.

    1982-08-01

    This study was conducted to obtain vibration and superimposed shock data during normal rail shipment of heavy cargo. The data were obtained during a regularly scheduled rail shipment of a 45-tonne (50-ton) cargo which consisted of an empty spent-fuel container, its supporting structure, and associated hoisting devices. The shipment was made over rail lines which are operated by the Atchison, Topeka, and Santa Fe Railway Company between Denver, Colorado and Albuquerque, New Mexico. The instrumented rail car was equipped with 0.38-m (15-in.) hydraulic end-of-car coupling devices. The 99 percentile levels of vibration acceleration amplitudes and single degree-of-freedom superimposed shock response spectra for the longitudinal, transverse, and vertical axes are presented

  16. Chain length effects on the vibrational structure and molecular interactions in the liquid normal alkyl alcohols

    Science.gov (United States)

    Kiefer, Johannes; Wagenfeld, Sabine; Kerlé, Daniela

    2018-01-01

    Alkyl alcohols are widely used in academia, industry, and our everyday lives, e.g. as cleaning agents and solvents. Vibrational spectroscopy is commonly used to identify and quantify these compounds, but also to study their structure and behavior. However, a comprehensive investigation and comparison of all normal alkanols that are liquid at room temperature has not been performed, surprisingly. This study aims at bridging this gap with a combined experimental and computational effort. For this purpose, the alkyl alcohols from methanol to undecan-1-ol have been analyzed using infrared and Raman spectroscopy. A detailed assignment of the individual peaks is presented and the influence of the alkyl chain length on the hydrogen bonding network is discussed. A 2D vibrational mapping allows a straightforward visualization of the effects. The conclusions drawn from the experimental data are backed up with results from Monte Carlo simulations using the simulation package Cassandra.

  17. High-speed Imaging of Vocal Fold Vibration Onset Delay: Normal Versus Abnormal.

    Science.gov (United States)

    Woo, Peak

    2017-05-01

    Vocal fold vibration onset delay (VFVOD) is heard frequently in spasmodic dysphonia and in muscle tension dysphonia. VFVOD changes due to other vocal pathologies have not been investigated. VFVOD during sustained vowel production was estimated with high-speed video in 10 normal and 40 pathologic subjects (scars, vocal fold paralysis, vocal fold nodules, and polyps). Analysis of high-speed video was done using digital kymography. VFVOD can be divided into two portions. Pre-phonation delay (PPD) is the duration when the vocal folds are nearly approximated to the time of first observed oscillation. Steady state delay (SSD) is the time when vocal folds are observed to come into oscillation until steady state of oscillation is observed. Normal subjects have almost zero PPD with vocal fold oscillation observed before full vocal fold adduction. Pathologic cases showed prolonged PPD because of (1) false cord adduction, (2) prolonged true vocal fold adduction, and (3) delay to onset of vocal fold vibration. Normal subjects have SSD of three to five cycles before steady state. Pathologic states result in increased SSD. Causes for increased SSD include (1) slow ramping up to steady state, (2) partial vibration of vocal folds, and (3) diplophonia with alternating beats before achieving steady state. There are significant differences between normal and pathology groups in both PPD and SSD. VFVOD is elevated in pathologic states. This can be due to increase in PPD or SSD. VFVOD is an under-recognized phenomenon that may contribute to complaints of vocal fatigue and dysphonia. Copyright © 2017 The Voice Foundation. Published by Elsevier Inc. All rights reserved.

  18. Experimental Study of Flexible Plate Vibration Control by Using Two-Loop Sliding Mode Control Strategy

    Science.gov (United States)

    Yang, Jingyu; Lin, Jiahui; Liu, Yuejun; Yang, Kang; Zhou, Lanwei; Chen, Guoping

    2017-08-01

    It is well known that intelligent control theory has been used in many research fields, novel modeling method (DROMM) is used for flexible rectangular active vibration control, and then the validity of new model is confirmed by comparing finite element model with new model. In this paper, taking advantage of the dynamics of flexible rectangular plate, a two-loop sliding mode (TSM) MIMO approach is introduced for designing multiple-input multiple-output continuous vibration control system, which can overcome uncertainties, disturbances or unstable dynamics. An illustrative example is given in order to show the feasibility of the method. Numerical simulations and experiment confirm the effectiveness of the proposed TSM MIMO controller.

  19. 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

  20. New method for computing ideal MHD normal modes in axisymmetric toroidal geometry

    International Nuclear Information System (INIS)

    Wysocki, F.; Grimm, R.C.

    1984-11-01

    Analytic elimination of the two magnetic surface components of the displacement vector permits the normal mode ideal MHD equations to be reduced to a scalar form. A Galerkin procedure, similar to that used in the PEST codes, is implemented to determine the normal modes computationally. The method retains the efficient stability capabilities of the PEST 2 energy principle code, while allowing computation of the normal mode frequencies and eigenfunctions, if desired. The procedure is illustrated by comparison with earlier various of PEST and by application to tilting modes in spheromaks, and to stable discrete Alfven waves in tokamak geometry

  1. Observation of the low frequency vibrational modes of bacteriophage M13 in water by Raman spectroscopy

    Directory of Open Access Journals (Sweden)

    Tsen Shaw-Wei D

    2006-09-01

    Full Text Available Abstract Background Recently, a technique which departs radically from conventional approaches has been proposed. This novel technique utilizes biological objects such as viruses as nano-templates for the fabrication of nanostructure elements. For example, rod-shaped viruses such as the M13 phage and tobacco mosaic virus have been successfully used as biological templates for the synthesis of semiconductor and metallic nanowires. Results and discussion Low wave number (≤ 20 cm-1 acoustic vibrations of the M13 phage have been studied using Raman spectroscopy. The experimental results are compared with theoretical calculations based on an elastic continuum model and appropriate Raman selection rules derived from a bond polarizability model. The observed Raman mode has been shown to belong to one of the Raman-active axial torsion modes of the M13 phage protein coat. Conclusion It is expected that the detection and characterization of this low frequency vibrational mode can be used for applications in nanotechnology such as for monitoring the process of virus functionalization and self-assembly. For example, the differences in Raman spectra can be used to monitor the coating of virus with some other materials and nano-assembly process, such as attaching a carbon nanotube or quantum dots.

  2. Comparative Investigation of Normal Modes and Molecular Dynamics of Hepatitis C NS5B Protein

    International Nuclear Information System (INIS)

    Asafi, M S; Tekpinar, M; Yildirim, A

    2016-01-01

    Understanding dynamics of proteins has many practical implications in terms of finding a cure for many protein related diseases. Normal mode analysis and molecular dynamics methods are widely used physics-based computational methods for investigating dynamics of proteins. In this work, we studied dynamics of Hepatitis C NS5B protein with molecular dynamics and normal mode analysis. Principal components obtained from a 100 nanoseconds molecular dynamics simulation show good overlaps with normal modes calculated with a coarse-grained elastic network model. Coarse-grained normal mode analysis takes at least an order of magnitude shorter time. Encouraged by this good overlaps and short computation times, we analyzed further low frequency normal modes of Hepatitis C NS5B. Motion directions and average spatial fluctuations have been analyzed in detail. Finally, biological implications of these motions in drug design efforts against Hepatitis C infections have been elaborated. (paper)

  3. Molecular conformational analysis, vibrational spectra and normal coordinate analysis of trans-1,2-bis(3,5-dimethoxy phenyl)-ethene based on density functional theory calculations.

    Science.gov (United States)

    Joseph, Lynnette; Sajan, D; Chaitanya, K; Isac, Jayakumary

    2014-03-25

    The conformational behavior and structural stability of trans-1,2-bis(3,5-dimethoxy phenyl)-ethene (TDBE) were investigated by using density functional theory (DFT) method with the B3LYP/6-311++G(d,p) basis set combination. The vibrational wavenumbers of TDBE were computed at DFT level and complete vibrational assignments were made on the basis of normal coordinate analysis calculations (NCA). The DFT force field transformed to natural internal coordinates was corrected by a well-established set of scale factors that were found to be transferable to the title compound. The infrared and Raman spectra were also predicted from the calculated intensities. The observed Fourier transform infrared (FTIR) and Fourier transform (FT) Raman vibrational wavenumbers were analyzed and compared with the theoretically predicted vibrational spectra. Comparison of the simulated spectra with the experimental spectra provides important information about the ability of the computational method to describe the vibrational modes. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecules has been obtained by mapping electron density isosurface with electrostatic potential surfaces (ESP). Copyright © 2013 Elsevier B.V. All rights reserved.

  4. Confinement of vibrational modes within crystalline lattices using thin amorphous layers

    International Nuclear Information System (INIS)

    Bagolini, Luigi; Mattoni, Alessandro; Lusk, Mark T

    2017-01-01

    It is possible to confine vibrational modes to a crystal by encapsulating it within thin disordered layers with the same average properties as the crystal. This is not due to an impedance mismatch between materials but, rather, to higher order moments in the distribution of density and stiffness in the disordered phase—i.e. it is a result of material substructure. The concept is elucidated in an idealized one-dimensional setting and then demonstrated for a realistic nanocrystalline geometry. This offers the prospect of specifically engineering higher order property distributions as an alternate means of managing phonons. (paper)

  5. Stretching dependence of the vibration modes of a single-molecule Pt-H-2-Pt bridge

    DEFF Research Database (Denmark)

    Djukic, D.; Thygesen, Kristian Sommer; Untiedt, C.

    2005-01-01

    isotope substitution is obtained. The stretching dependence for each of the modes allows uniquely classifying them as longitudinal or transversal modes. The interpretation of the experiment in terms of a Pt-H-2-Pt bridge is verified by density-functional theory calculations for the stability, vibrational...

  6. Sub-THz spectroscopic characterization of vibrational modes in artificially designed DNA monocrystal

    International Nuclear Information System (INIS)

    Sizov, Igor; Rahman, Masudur; Gelmont, Boris; Norton, Michael L.; Globus, Tatiana

    2013-01-01

    Highlights: • Sub-THz spectroscopy is used to characterize artificially designed DNA monocrystal. • Results are obtained using a novel near field, RT, frequency domain spectrometer. • Narrow resonances of 0.1 cm −1 width in absorption spectra of crystal are observed. • Signature measured between 310 and 490 GHz is reproducible and well resolved. • Absorption pattern is explained in part by simulation results from dsDNA fragment. - Abstract: Sub-terahertz (sub-THz) vibrational spectroscopy is a new spectroscopic branch for characterizing biological macromolecules. In this work, highly resolved sub-THz resonance spectroscopy is used for characterizing engineered molecular structures, an artificially designed DNA monocrystal, built from a short DNA sequence. Using a recently developed frequency domain spectroscopic instrument operating at room temperature with high spectral and spatial resolution, we demonstrated very intense and specific spectral lines from a DNA crystal in general agreement with a computational molecular dynamics (MD) simulation of a short double stranded DNA fragment. The spectroscopic signature measured in the frequency range between 310 and 490 GHz is rich in well resolved and reproducible spectral features thus demonstrating the capability of THz resonance spectroscopy to be used for characterizing custom macromolecules and structures designed and implemented via nanotechnology for a wide variety of application domains. Analysis of MD simulation indicates that intense and narrow vibrational modes with atomic movements perpendicular (transverse) and parallel (longitudinal) to the long DNA axis coexist in dsDNA, with much higher contribution from longitudinal vibrations

  7. Frequency Response of the Sample Vibration Mode in Scanning Probe Acoustic Microscope

    International Nuclear Information System (INIS)

    Ya-Jun, Zhao; Qian, Cheng; Meng-Lu, Qian

    2010-01-01

    Based on the interaction mechanism between tip and sample in the contact mode of a scanning probe acoustic microscope (SPAM), an active mass of the sample is introduced in the mass-spring model. The tip motion and frequency response of the sample vibration mode in the SPAM are calculated by the Lagrange equation with dissipation function. For the silicon tip and glass assemblage in the SPAM the frequency response is simulated and it is in agreement with the experimental result. The living myoblast cells on the glass slide are imaged at resonance frequencies of the SPAM system, which are 20kHz, 30kHz and 120kHz. It is shown that good contrast of SPAM images could be obtained when the system is operated at the resonance frequencies of the system in high and low-frequency regions

  8. 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.

  9. Can Internal Conversion BE Controlled by Mode-Specific Vibrational Excitation in Polyatomic Molecules

    Science.gov (United States)

    Portnov, Alexander; Epshtein, Michael; Bar, Ilana

    2017-06-01

    Nonadiabatic processes, dominated by dynamic passage of reactive fluxes through conical intersections (CIs) are considered to be appealing means for manipulating reaction paths. One approach that is considered to be effective in controlling the course of dissociation processes is the selective excitation of vibrational modes containing a considerable component of motion. Here, we have chosen to study the predissociation of the model test molecule, methylamine and its deuterated isotopologues, excited to well-characterized quantum states on the first excited electronic state, S_{1}, by following the N-H(D) bond fission dynamics through sensitive H(D) photofragment probing. The branching ratios between slow and fast H(D) photofragments, the internal energies of their counter radical photofragments and the anisotropy parameters for fast H photofragments, confirm correlated anomalies for predissociation initiated from specific rovibronic states, reflecting the existence of a dynamic resonance in each molecule. This resonance strongly depends on the energy of the initially excited rovibronic states, the evolving vibrational mode on the repulsive S_{1} part during N-H(D) bond elongation, and the manipulated passage through the CI that leads to radicals excited with C-N-H(D) bending and preferential perpendicular bond breaking, relative to the photolyzing laser polarization, in molecules containing the NH_{2} group. The indicated resonance plays an important role in the bifurcation dynamics at the CI and can be foreseen to exist in other photoinitiated processes and to control their outcome.

  10. SwarmDock and the Use of Normal Modes in Protein-Protein Docking

    Directory of Open Access Journals (Sweden)

    Paul A. Bates

    2010-09-01

    Full Text Available Here is presented an investigation of the use of normal modes in protein-protein docking, both in theory and in practice. Upper limits of the ability of normal modes to capture the unbound to bound conformational change are calculated on a large test set, with particular focus on the binding interface, the subset of residues from which the binding energy is calculated. Further, the SwarmDock algorithm is presented, to demonstrate that the modelling of conformational change as a linear combination of normal modes is an effective method of modelling flexibility in protein-protein docking.

  11. Simulation of vibration modes of the fuel rod damaged due to the grid-to-rod fretting wear

    International Nuclear Information System (INIS)

    Kim, Kyu Tae; Kim, Kyeong Koo; Jang, Young Ki; Lee, Kyou Seok

    1997-01-01

    The flow-induced fuel fretting wear observed in some PWRs mainly proceeds in the grid-to-rod contact positions. The grid-to-rod fretting wear in the PWR fuel assembly depends on grid-to-rod gap size, its axial profile and flow-induced vibration. This paper describes the GRIDFORCE program which generates the axially dependent grid-to-rod gap size as a function of burnup. The axially dependent grid-to-rod gap profiles are employed to predict the fuel rod vibration mode shapes by the ANSYS code. With the help of the Paidousis empirical formula, this paper also calculates the fuel rod vibration amplitudes under various supporting conditions, which indicates that the increase of the number of unsupported mid-grids will increase the fuel rod vibration amplitude. On the other hand, the comparison of the predicted vibration mode shapes and the observed mid-grid fretting wear pattern indicates that the 1st and 6th vibration mode shapes under the supporting inactive condition at the mid-grids can simulate the observed mid-grid fretting wear profile. This paper also proposes design guidelines against the grid-to-rod fretting wear. (author). 3 refs., 8 figs

  12. From explicit to implicit normal mode initialization of a limited-area model

    Energy Technology Data Exchange (ETDEWEB)

    Bijlsma, S.J.

    2013-02-15

    In this note the implicit normal mode initialization of a limited-area model is discussed from a different point of view. To that end it is shown that the equations describing the explicit normal mode initialization applied to the shallow water equations in differentiated form on the sphere can readily be derived in normal mode space if the model equations are separable, but only in the case of stationary Rossby modes can be transformed into the implicit equations in physical space. This is a consequence of the simple relations between the components of the different modes in that case. In addition a simple eigenvalue problem is given for the frequencies of the gravity waves. (orig.)

  13. Effects of phase and coupling between the vibrational modes on selective excitation in coherent anti-Stokes Raman scattering microscopy

    International Nuclear Information System (INIS)

    Patel, Vishesha; Malinovsky, Vladimir S.; Malinovskaya, Svetlana

    2010-01-01

    Coherent anti-Stokes Raman scattering (CARS) microscopy has been a major tool of investigation of biological structures as it contains the vibrational signature of molecules. A quantum control method based on chirped pulse adiabatic passage was recently proposed for selective excitation of a predetermined vibrational mode in CARS microscopy [Malinovskaya and Malinovsky, Opt. Lett. 32, 707 (2007)]. The method utilizes the chirp sign variation at the peak pulse amplitude and gives a robust adiabatic excitation of the desired vibrational mode. Using this method, we investigate the impact of coupling between vibrational modes in molecules on controllability of excitation of the CARS signal. We analyze two models of two coupled two-level systems (TLSs) having slightly different transitional frequencies. The first model, featuring degenerate ground states of the TLSs, gives robust adiabatic excitation and maximum coherence in the resonant TLS for positive value of the chirp. In the second model, implying nondegenerate ground states in the TLSs, a population distribution is observed in both TLSs, resulting in a lack of selectivity of excitation and low coherence. It is shown that the relative phase and coupling between the TLSs play an important role in optimizing coherence in the desired vibrational mode and suppressing unwanted transitions in CARS microscopy.

  14. Coupling analysis of energy conversion in multi-mode vibration structural control using a synchronized switch damping method

    International Nuclear Information System (INIS)

    Ji, Hongli; Qiu, Jinhao; Xia, Pinqi; Inman, Daniel

    2012-01-01

    Modal coupling is an important issue in the analysis and control of structural systems with multi-degrees of freedom (MDOF). In this paper, modal coupling induced by energy conversion in the structural control of an MDOF system using a synchronized switch damping method is investigated theoretically and validated numerically. In the analysis, it is supposed that the voltage on the piezoelectric actuator is switched at the displacement extrema of a given mode. Two types of coupling in energy conversion are considered. The first is whether the switching action based on one mode induces energy conversion of the other modes. The second is whether the vibration of one mode affects the energy conversion of the other modes. The results indicate that the modal coupling in energy conversion is very complicated. In most cases the switching action based on one mode does induce energy conversion of another mode, but the efficiency depends on the frequency ratio of the two modes. The vibration of one mode affects the energy conversion of another mode only when the frequency ratio of the two modes takes some special values. Discussions are also given on the potential application of the theoretical results in the design of an energy harvesting device. (paper)

  15. Vibration energy harvesting based on integrated piezoelectric components operating in different modes.

    Science.gov (United States)

    Hu, Junhui; Jong, Januar; Zhao, Chunsheng

    2010-01-01

    To increase the vibration energy-harvesting capability of the piezoelectric generator based on a cantilever beam, we have proposed a piezoelectric generator that not only uses the strain change of piezoelectric components bonded on a cantilever beam, but also employs the weights at the tip of the cantilever beam to hit piezoelectric components located on the 2 sides of weights. A prototype of the piezoelectric generator has been fabricated and its characteristics have been measured and analyzed. The experimental results show that the piezoelectric components operating in the hit mode can substantially enhance the energy harvesting of the piezoelectric generator on a cantilever beam. Two methods are used and compared in the management of rectified output voltages from different groups of piezoelectric components. In one of them, the DC voltages from rectifiers are connected in series, and then the total DC voltage is applied to a capacitor. In another connection, the DC voltage from each group is applied to different capacitors. It is found that 22.3% of the harvested energy is wasted due to the series connection. The total output electric energy of our piezoelectric generator at nonresonance could be up to 43 nJ for one vibration excitation applied by spring, with initial vibration amplitude (0-p) of 18 mm and frequency of 18.5 Hz, when the rectified voltages from different groups of piezoelectric components are connected to their individual capacitors. In addition, the motion and impact of the weights at the tip of the cantilever beam are theoretically analyzed, which well explains the experimental phenomena and suggests the measures to improve the generator.

  16. Determination of fuel assembly vibrational modes through analysis of incore detector noise

    International Nuclear Information System (INIS)

    Johnson, R.S.

    1986-01-01

    In order to better characterize fuel assembly vibration at Duke Power Company's Oconee Nuclear Station, incore noise data were acquired an analyzed from prompt responding detectors incorporated in the Oconee 2, Cycle 7 core. Duke Power Company began actively pursuing an inhouse Neutron Noise Analysis program for routine surveillance of reactor internals vibration in 1979. Noise data has since been acquired and analyzed for twelve cycles of operation for the three Oconee units. Duke Power's Oconee Unit 2 is a Babcock and Wilcoxs pressurized water reactor with a rate thermal power of 2568MW. For Oconee 2, Cycle 7 operation, two test assemblies, each employing a string of seven axially-spaced, prompt responding hafnium detectors, were included in the final core design. Incore detector noise data were obtained during Cycle 7 at approximately 281 and 430 effective full power days (EFPD). In addition to the incore test detector signals, noise signals from the upper and lower chambers of the four excore power range detectors were recorded to aid in the analysis. The comparison of RMS signal levels for each incore detector and the phase relationships between detector locations within two test assemblies identified the first four fuel assembly bending modes associated with fixed end conditions

  17. Ultrafast fragmentation dynamics of triply charged carbon dioxide: Vibrational-mode-dependent molecular bond breakage

    Science.gov (United States)

    Yang, HongJiang; Wang, Enliang; Dong, WenXiu; Gong, Maomao; Shen, Zhenjie; Tang, Yaguo; Shan, Xu; Chen, Xiangjun

    2018-05-01

    The a b i n i t i o molecular dynamics (MD) simulations using an atom-centered density matrix propagation method have been carried out to investigate the fragmentation of the ground-state triply charged carbon dioxide, CO23 +→C+ + Oa+ + Ob+ . Ten thousands of trajectories have been simulated. By analyzing the momentum correlation of the final fragments, it is demonstrated that the sequential fragmentation dominates in the three-body dissociation, consistent with our experimental observations which were performed by electron collision at impact energy of 1500 eV. Furthermore, the MD simulations allow us to have detailed insight into the ultrafast evolution of the molecular bond breakage at a very early stage, within several tens of femtoseconds, and the result shows that the initial nuclear vibrational mode plays a decisive role in switching the dissociation pathways.

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

    International Nuclear Information System (INIS)

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

    1988-01-01

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

  19. Mode shape and natural frequency identification for seismic analysis from background vibration

    International Nuclear Information System (INIS)

    Bhan, S.; Wozniak, Z.

    1986-10-01

    Background vibration in a CANDU plant can be used to determine the dynamic characteristics of major items of equipment, such as calandria, the fuelling machines and the primary heat transport pumps. These dynamic characteristics can then be used to verify the seismic response of the equipment which, at present, is based on theoretical models only. The feasibility and basic theory of this new approach (which uses accelerations measured at several points on a structure and does not require knowledge of the source of excitation) was established in Phase I of the study. This report is based on Phase II in which the methods of analysis developed in Phase I were improved and verified experimentally. A Fast Fourier Transform (FFT) algorithm was incorporated and an interactive curve fitting technique was developed to obtain the dynamic characteristics in the form of natural frequencies, mode shapes and damping ratios. The method is now available for use at a CANDU plant

  20. Quantum-Chemical Calculation and Visualization of the Vibrational Modes of Graphene in Different Points of the Brillouin Zone.

    Science.gov (United States)

    Lebedieva, Tetiana; Gubanov, Victor; Dovbeshko, Galyna; Pidhirnyi, Denys

    2015-12-01

    Different notations of graphene irreducible representations and optical modes could be found in the literature. The goals of this paper are to identify the correspondence between available notations, to calculate the optical modes of graphene in different points of the Brillouin zone, and to compare them with experimental data obtained by Raman and coherent anti-Stokes Raman scattering (CARS) spectroscopy. The mechanism of the resonance enhancement of vibration modes of the molecules adsorbed on graphene in CARS experiments is proposed. The possibility of appearance of the discrete breathing modes is discussed.

  1. Adaptive Robust Sliding Mode Vibration Control of a Flexible Beam Using Piezoceramic Sensor and Actuator: An Experimental Study

    Directory of Open Access Journals (Sweden)

    Ruo Lin Wang

    2014-01-01

    Full Text Available This paper presents an experimental study of an adaptive robust sliding mode control scheme based on the Lyapunov’s direct method for active vibration control of a flexible beam using PZT (lead zirconate titanate sensor and actuator. PZT, a type of piezoceramic material, has the advantages of high reliability, high bandwidth, and solid state actuation and is adopted here in forms of surface-bond patches for vibration control. Two adaptive robust sliding mode controllers for vibration suppression are designed: one uses a discontinuous bang-bang robust compensator and the other uses a smooth compensator with a hyperbolic tangent function. Both controllers guarantee asymptotic stability, as proved by the Lyapunov’s direct method. Experimental results verified the effectiveness and the robustness of both adaptive sliding mode controllers. However, from the experimental results, the bang-bang robust compensator causes small-magnitude chattering because of the discontinuous switching actions. With the smooth compensator, vibration is quickly suppressed and no chattering is induced. Furthermore, the robustness of the controllers is successfully demonstrated with ensured effectiveness in vibration control when masses are added to the flexible beam.

  2. Vibrational modes and strain in GaN/AlN quantum dot stacks: dependence on spacer thickness

    Energy Technology Data Exchange (ETDEWEB)

    Fresneda, J.; Cros, A.; Llorens, J.M.; Garcia-Cristobal, A.; Cantarero, A. [Institut de Ciencia del Materials, Universitat de Valencia, 46071 Valencia (Spain); Amstatt, B.; Bellet-Amalric, E.; Daudin, B. [CEA-CNRS Group, Nanophysique et Semiconducteurs, DRFMC/SP2M/PSC, CEA-Grenoble, 17 rue des Martyrs, 38054 Grenoble cedex 9 (France)

    2007-06-15

    We have investigated the influence of spacer thickness on the vibrational and strain characteristics of GaN/AlN quantum dot multilayers (QD). The Raman shift corresponding to the E{sub 2h} vibrational mode related to the QDs has been analyzed for AlN thicknesses ranging from 4.4 nm to 13 nm, while the amount of GaN deposited in each layer remained constant from sample to sample. It is shown that there is a rapid blue shift of the GaN vibrational mode with spacer thickness when its value is smaller than 7 nm while it remains almost constant for thicker spacers. A rapid increase of the Raman line-width in the thicker samples is also observed. The experimental behavior is discussed in comparison with the results of a theoretical model for the strain in the QDs. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  3. Does quantum mechanics select out regularity and local mode behaviour in nonlinearly coupled vibrational systems?

    International Nuclear Information System (INIS)

    Yurtsever, E.; Brickmann, J.

    1990-01-01

    A two dimensional strongly nonharmonic vibrational system with nonlinear intermode coupling is studied both classically and quantum mechanically. The system was chosen such that there is a low lying transition (in energy) from a region where almost all trajectories move regularly to a region where chaotic dynamics strongly dominates. The corresponding quantum system is far away from the semiclassical limit. The eigenfunctions are calculated with high precision according to a linear variational scheme using conveniently chosen basis functions. It is the aim of this paper to check whether the prediction from semiclassical theory, namely that the measure of classically chaotic trajectories in phase space approaches the measure of irregular states in corresponding energy ranges, holds when the system is not close to the classical limit. It is also the aim to identify individual eigenfunctions with respect to regularity and to differentiate between local and normal vibrational states. It is found that there are quantitative and also qualitative differences between the quantum results and the semiclassical predictions. (orig./HK)

  4. Multi-mode electro-mechanical vibrations of a microtubule: In silico demonstration of electric pulse moving along a microtubule

    Czech Academy of Sciences Publication Activity Database

    Havelka, Daniel; Cifra, Michal; Kučera, Ondřej

    2014-01-01

    Roč. 104, č. 24 (2014), s. 243702 ISSN 0003-6951 R&D Projects: GA ČR(CZ) GAP102/11/0649 Institutional support: RVO:67985882 Keywords : Biophysical mechanism * Collective vibration mode * Electro-mechanical Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 3.302, year: 2014

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

    Science.gov (United States)

    Góbi, Sándor; Magyarfalvi, Gábor; Tarczay, György

    2015-09-01

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

  6. Extended Majorana zero modes in a topological superconducting-normal T-junction

    Science.gov (United States)

    Spånslätt, Christian; Ardonne, Eddy

    2017-03-01

    We investigate the sub gap properties of a three terminal Josephson T-junction composed of topologically superconducting wires connected by a normal metal region. This system naturally hosts zero energy Andreev bound states which are of self-conjugate Majorana nature and we show that they are, in contrast to ordinary Majorana zero modes, spatially extended in the normal metal region. If the T-junction respects time-reversal symmetry, we show that a zero mode is distributed only in two out of three arms in the junction and tuning the superconducting phases allows for transfer of the mode between the junction arms. We further provide tunneling conductance calculations showing that these features can be detected in experiments. Our findings suggest an experimental platform for studying the nature of spatially extended Majorana zero modes.

  7. 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].

  8. Measurement of correlations between low-frequency vibrational modes and particle rearrangements in quasi-two-dimensional colloidal glasses.

    Science.gov (United States)

    Chen, Ke; Manning, M L; Yunker, Peter J; Ellenbroek, Wouter G; Zhang, Zexin; Liu, Andrea J; Yodh, A G

    2011-09-02

    We investigate correlations between low-frequency vibrational modes and rearrangements in two-dimensional colloidal glasses composed of thermosensitive microgel particles, which readily permit variation of the sample packing fraction. At each packing fraction, the particle displacement covariance matrix is measured and used to extract the vibrational spectrum of the "shadow" colloidal glass (i.e., the particle network with the same geometry and interactions as the sample colloid but absent damping). Rearrangements are induced by successive, small reductions in the packing fraction. The experimental results suggest that low-frequency quasilocalized phonon modes in colloidal glasses, i.e., modes that present low energy barriers for system rearrangements, are spatially correlated with rearrangements in this thermal system.

  9. Modal analysis of inter-area oscillations using the theory of normal modes

    Energy Technology Data Exchange (ETDEWEB)

    Betancourt, R.J. [School of Electromechanical Engineering, University of Colima, Manzanillo, Col. 28860 (Mexico); Barocio, E. [CUCEI, University of Guadalajara, Guadalajara, Jal. 44480 (Mexico); Messina, A.R. [Graduate Program in Electrical Engineering, Cinvestav, Guadalajara, Jal. 45015 (Mexico); Martinez, I. [State Autonomous University of Mexico, Toluca, Edo. Mex. 50110 (Mexico)

    2009-04-15

    Based on the notion of normal modes in mechanical systems, a method is proposed for the analysis and characterization of oscillatory processes in power systems. The method is based on the property of invariance of modal subspaces and can be used to represent complex power system modal behavior by a set of decoupled, two-degree-of-freedom nonlinear oscillator equations. Using techniques from nonlinear mechanics, a new approach is outlined, for determining the normal modes (NMs) of motion of a general n-degree-of-freedom nonlinear system. Equations relating the normal modes and the physical velocities and displacements are developed from the linearized system model and numerical issues associated with the application of the technique are discussed. In addition to qualitative insight, this method can be utilized in the study of nonlinear behavior and bifurcation analyses. The application of these procedures is illustrated on a planning model of the Mexican interconnected system using a quadratic nonlinear model. Specifically, the use of normal mode analysis as a basis for identifying modal parameters, including natural frequencies and damping ratios of general, linear systems with n degrees of freedom is discussed. Comparisons to conventional linear analysis techniques demonstrate the ability of the proposed technique to extract the different oscillation modes embedded in the oscillation. (author)

  10. A net normal dispersion all-fiber laser using a hybrid mode-locking mechanism

    International Nuclear Information System (INIS)

    Xu, Bo; Martinez, Amos; Yamashita, Shinji; Set, Sze Yun; Goh, Chee Seong

    2014-01-01

    We propose and demonstrate an all-fiber, dispersion-mapped, erbium-doped fiber laser with net normal dispersion generating dissipative solitons. The laser is mode-locked by a hybrid mode-locking mechanism consisting of a nonlinear amplifying loop mirror and a carbon nanotube saturable absorber. We achieve self-starting, mode-locked operation generating 2.75 nJ pulses at a fundamental repetition rate of 10.22 MHz with remarkable long term stability. (letter)

  11. Conjugate gradient filtering of instantaneous normal modes, saddles on the energy landscape, and diffusion in liquids.

    Science.gov (United States)

    Chowdhary, J; Keyes, T

    2002-02-01

    Instantaneous normal modes (INM's) are calculated during a conjugate-gradient (CG) descent of the potential energy landscape, starting from an equilibrium configuration of a liquid or crystal. A small number (approximately equal to 4) of CG steps removes all the Im-omega modes in the crystal and leaves the liquid with diffusive Im-omega which accurately represent the self-diffusion constant D. Conjugate gradient filtering appears to be a promising method, applicable to any system, of obtaining diffusive modes and facilitating INM theory of D. The relation of the CG-step dependent INM quantities to the landscape and its saddles is discussed.

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

    Science.gov (United States)

    Mork, Steven Wayne

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

  13. USE OF WHOLE-BODY VIBRATION AS A MODE OF WARMING UP BEFORE COUNTER MOVEMENT JUMP

    Directory of Open Access Journals (Sweden)

    Enrique G. Artero

    2007-12-01

    Full Text Available Whole-body vibration (WBV has been suggested to be particularly effective on the stretch-shortening cycle-based movements, such as the counter movement jump (CMJ test (Issurin, 2005. Nevertheless, the literature on short-term vibration exposure and lower limb explosive performance (measured by CMJ test is contradictory. Either transient improvements (Bosco et al., 2000; Cochrane and Stannard, 2005; Torvinen et al., 2002a or no effects (Torvinen et al., 2002b; Rittweger et al., 2003; Cormie et al., 2006 have been reported after a single WBV exposure ranging from 30 s to 10 min. The present study aimed at better characterizing the use of a single short bout of WBV as a mode of warming up before a CMJ test.A total of 114 university students (37 men, 77 women, aged 19.6 ± 2.0 years signed an informed consent form and volunteered to participate in the study. The study protocol was approved by the Review Committee for Research Involving Human Subjects of our center. Participants were asked to come to the laboratory in three occasions three days apart. First visit: familiarization session aiming to learn the CMJ technique and to experience the vibration stimulus. Second visit: the participants performed three consecutive CMJ with one min rest interval. No significant differences were observed among the jumps, and the highest score was retained. Third visit: the participants were exposed to a single short bout of WBV and immediately after they performed three CMJ with one min rest interval.An infrared contact timing platform (ERGO JUMP Plus - BOSCO SYSTEM, Byomedic, S.C.P., Barcelona, Spain was used to measure "flight" time (t during the vertical jump (accuracy 0.001 s. Maximum height achieved by the body centre of gravity (h was then estimated, i.e. h = g · t2 / 8, where g = 9.81 m/s2. In all occasions, the participants were instructed to abstain from strenuous exercise for the preceding 24 hours.Whole-body vibration was carried out on an oscillating

  14. All-atom normal-mode analysis reveals an RNA-induced allostery in a bacteriophage coat protein.

    Science.gov (United States)

    Dykeman, Eric C; Twarock, Reidun

    2010-03-01

    Assembly of the T=3 bacteriophage MS2 is initiated by the binding of a 19 nucleotide RNA stem loop from within the phage genome to a symmetric coat protein dimer. This binding event effects a folding of the FG loop in one of the protein subunits of the dimer and results in the formation of an asymmetric dimer. Since both the symmetric and asymmetric forms of the dimer are needed for the assembly of the protein container, this allosteric switch plays an important role in the life cycle of the phage. We provide here details of an all-atom normal-mode analysis of this allosteric effect. The results suggest that asymmetric contacts between the A -duplex RNA phosphodiester backbone of the stem loop with the EF loop in one coat protein subunit results in an increased dynamic behavior of its FG loop. The four lowest-frequency modes, which encompass motions predominantly on the FG loops, account for over 90% of the increased dynamic behavior due to a localization of the vibrational pattern on a single FG loop. Finally, we show that an analysis of the allosteric effect using an elastic network model fails to predict this localization effect, highlighting the importance of using an all-atom full force field method for this problem.

  15. New vibrational mode of the acoustic type in Nd(Pr)2 Cu O4 single crystals

    International Nuclear Information System (INIS)

    Fil', D.V.; Kolobov, I.G.; Fil', V.D.; Barilo, S.N.; Zhigunov, D.I.

    1995-01-01

    Sound velocities along main symmetry directions as well as their angle dependences in (100),(110)-type planes are measured in Nd(Pr) 2 Cu O 4 . Anomalies in the angle dependences are found, which are interpreted as a result of the interaction of elastic vibrations with an additional plane mode of the acoustic type. According to the proposed interpretation, the bare spectrum of the additional mode is two-dimensional, and the origin of the mode is connected with the electron degrees of freedom in the Cu O 2 -planes. A phenomenological model for description of acoustic mode spectra in the investigated systems is proposed. On the basis of the anion model of HTSC, a possible microscopic scenario of the appearance of the additional mode is analyzed. In the framework of the phenomenological model, the Debye temperatures are computed, which are in agreement with the specific heat data. The values of the components of the elastic moduli tensor are given

  16. Normal force of magnetorheological fluids with foam metal under oscillatory shear modes

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Xingyan, E-mail: yaoxingyan-jsj@163.com [Research Center of System Health Maintenance, Chongqing Technology and Business University, Chongqing 400067 (China); Chongqing Engineering Laboratory for Detection Control and Integrated System, Chongqing 400067 (China); Liu, Chuanwen; Liang, Huang; Qin, Huafeng [Chongqing Engineering Laboratory for Detection Control and Integrated System, Chongqing 400067 (China); Yu, Qibing; Li, Chuan [Research Center of System Health Maintenance, Chongqing Technology and Business University, Chongqing 400067 (China); Chongqing Engineering Laboratory for Detection Control and Integrated System, Chongqing 400067 (China)

    2016-04-01

    The normal force of magnetorheological (MR) fluids in porous foam metal was investigated in this paper. The dynamic repulsive normal force was studied using an advanced commercial rheometer under oscillatory shear modes. In the presence of magnetic fields, the influences of time, strain amplitude, frequency and shear rate on the normal force of MR fluids drawn from the porous foam metal were systematically analysed. The experimental results indicated that the magnetic field had the greatest effect on the normal force, and the effect increased incrementally with the magnetic field. Increasing the magnetic field produced a step-wise increase in the shear gap. However, other factors in the presence of a constant magnetic field only had weak effects on the normal force. This behaviour can be regarded as a magnetic field-enhanced normal force, as increases in the magnetic field resulted in more MR fluids being released from the porous foam metal, and the chain-like magnetic particles in the MR fluids becoming more elongated with aggregates spanning the gap between the shear plates. - Highlights: • Normal force of MR fluids with metal foam under oscillatory shear modes was studied. • The shear gap was step-wise increased with magnetic fields. • The magnetic field has a greater impact on the normal force.

  17. Normal force of magnetorheological fluids with foam metal under oscillatory shear modes

    International Nuclear Information System (INIS)

    Yao, Xingyan; Liu, Chuanwen; Liang, Huang; Qin, Huafeng; Yu, Qibing; Li, Chuan

    2016-01-01

    The normal force of magnetorheological (MR) fluids in porous foam metal was investigated in this paper. The dynamic repulsive normal force was studied using an advanced commercial rheometer under oscillatory shear modes. In the presence of magnetic fields, the influences of time, strain amplitude, frequency and shear rate on the normal force of MR fluids drawn from the porous foam metal were systematically analysed. The experimental results indicated that the magnetic field had the greatest effect on the normal force, and the effect increased incrementally with the magnetic field. Increasing the magnetic field produced a step-wise increase in the shear gap. However, other factors in the presence of a constant magnetic field only had weak effects on the normal force. This behaviour can be regarded as a magnetic field-enhanced normal force, as increases in the magnetic field resulted in more MR fluids being released from the porous foam metal, and the chain-like magnetic particles in the MR fluids becoming more elongated with aggregates spanning the gap between the shear plates. - Highlights: • Normal force of MR fluids with metal foam under oscillatory shear modes was studied. • The shear gap was step-wise increased with magnetic fields. • The magnetic field has a greater impact on the normal force.

  18. Spatially resolved localized vibrational mode spectroscopy of carbon in liquid encapsulated Czochralski grown gallium arsenide wafers

    International Nuclear Information System (INIS)

    Yau, Waifan.

    1988-04-01

    Substitutional carbon on an arsenic lattice site is the shallowest and one of the most dominant acceptors in semi-insulating Liquid Encapsulated Czochralski (LEC) GaAs. However, the role of this acceptor in determining the well known ''W'' shape spatial variation of neutral EL2 concentration along the diameter of a LEC wafer is not known. In this thesis, we attempt to clarify the issue of the carbon acceptor's effect on this ''W'' shaped variation by measuring spatial profiles of this acceptor along the radius of three different as-grown LEC GaAs wafers. With localized vibrational mode absorption spectroscopy, we find that the profile of the carbon acceptor is relatively constant along the radius of each wafer. Average values of concentration are 8 x 10E15 cm -3 , 1.1 x 10E15 cm -3 , and 2.2 x 10E15 cm -3 , respectively. In addition, these carbon acceptor LVM measurements indicate that a residual donor with concentration comparable to carbon exists in these wafers and it is a good candidate for the observed neutral EL2 concentration variation. 22 refs., 39 figs

  19. Nonlinear vibration analysis of the high-efficiency compressive-mode piezoelectric energy harvester

    Science.gov (United States)

    Yang, Zhengbao; Zu, Jean

    2015-04-01

    Power source is critical to achieve independent and autonomous operations of electronic mobile devices. The vibration-based energy harvesting is extensively studied recently, and recognized as a promising technology to realize inexhaustible power supply for small-scale electronics. Among various approaches, the piezoelectric energy harvesting has gained the most attention due to its high conversion efficiency and simple configurations. However, most of piezoelectric energy harvesters (PEHs) to date are based on bending-beam structures and can only generate limited power with a narrow working bandwidth. The insufficient electric output has greatly impeded their practical applications. In this paper, we present an innovative lead zirconate titanate (PZT) energy harvester, named high-efficiency compressive-mode piezoelectric energy harvester (HC-PEH), to enhance the performance of energy harvesters. A theoretical model was developed analytically, and solved numerically to study the nonlinear characteristics of the HC-PEH. The results estimated by the developed model agree well with the experimental data from the fabricated prototype. The HC-PEH shows strong nonlinear responses, favorable working bandwidth and superior power output. Under a weak excitation of 0.3 g (g = 9.8 m/s2), a maximum power output 30 mW is generated at 22 Hz, which is about ten times better than current energy harvesters. The HC-PEH demonstrates the capability of generating enough power for most of wireless sensors.

  20. On the structure and normal modes of hydrogenated Ti-fullerene compounds

    Energy Technology Data Exchange (ETDEWEB)

    Tlahuice-Flores, Alfredo, E-mail: tlahuicef@yahoo.com [Universidad Nacional Autonoma de Mexico, Instituto de Fisica (Mexico); Mejia-Rosales, Sergio, E-mail: sergio.mejiars@uanl.edu.mx [Universidad Autonoma de Nuevo Leon, CICFIM-Facultad de Ciencias Fisico Matematicas, and Centro de Innovacion, Investigacion y Desarrollo en Ingenieria y Tecnologia (Mexico); Galvan, Donald H., E-mail: donald@cnyn.unam.mx [Centro de Nanociencias y Nanotecnologia-Universidad Nacional Autonoma de Mexico (Mexico)

    2012-08-15

    When titanium covers a C{sub 60} core, the metal atoms may suppress the fullerene's capacity of storing hydrogen, depending on the number of Ti atoms covering the C{sub 60} framework, the Ti-C binding energy, and diffusion barriers. In this article, we study the structural and vibrational properties of the C{sub 60}TiH{sub n} (n = 2, 4, 6, and 8) and C{sub 60}Ti{sub 6}H{sub 48} compounds. The IR spectra of C{sub 60}TiH{sub n} compounds have a maximum attributable to the Ti-H stretching mode, which shifts to lower values in the structures with n = 4, 8, while their Raman spectra show two peaks corresponding to the stretching modes of H{sub 2} molecules at apical and azimuthal positions. On the other hand, the IR spectrum of C{sub 60}Ti{sub 6}H{sub 48} shows an intense peak due to the Ti-H in-phase stretching mode, while its Raman spectrum has a maximum attributed to the pentagonal pinch of the C{sub 60} core. Finally, we have found that the presence of one apical H{sub 2} molecule enhances the pentagonal pinch mode, becoming the maximum in the Raman spectrum.Graphical Abstract.

  1. Vibrational correlation between conjugated carbonyl and diazo modes studied by single- and dual-frequency two-dimensional infrared spectroscopy

    International Nuclear Information System (INIS)

    Maekawa, Hiroaki; Sul, Soohwan; Ge, Nien-Hui

    2013-01-01

    Highlights: ► Vibrational dynamics of conjugated C=O and N=N modes of ethyl diazoacetate was studied. ► Their frequency–frequency correlation functions are different. ► The dual-frequency 2D IR spectrum indicates anticorrelated frequency fluctuations. ► Correlation effects on dual-frequency 2D IR spectra are discussed. ► The existence of cis and trans conformers is revealed in 2D IR spectra. - Abstract: We have applied infrared three-pulse photon echo and single- and dual-frequency 2D IR spectroscopy to the ester C=O and diazo N=N stretching modes in ethyl diazoacetate (EDA), and investigated their vibrational frequency fluctuations and correlation. The two modes exhibit different vibrational dynamics and 2D lineshape, which are well simulated by frequency–frequency correlation functions (FFCFs) with two decaying components. Although the FT IR spectrum shows a single C=O band, absolute magnitude 2D IR nonrephasing spectrum displays spectral signatures supporting the presence of cis and trans conformations. The cross-peak inclined toward the anti-diagonal in the dual-frequency 2D IR spectrum, indicating that the frequency fluctuations of the two modes are anticorrelated. This behavior is attributed to anticorrelated change in the bond orders when solvent and structural fluctuations causes EDA to adopt a different mixture of the two dominant resonance structures. The effects of cross FFCF on the cross-peak line shape are discussed

  2. Vibrational correlation between conjugated carbonyl and diazo modes studied by single- and dual-frequency two-dimensional infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Maekawa, Hiroaki; Sul, Soohwan [Department of Chemistry, University of California at Irvine, Irvine, CA 92697-2025 (United States); Ge, Nien-Hui, E-mail: nhge@uci.edu [Department of Chemistry, University of California at Irvine, Irvine, CA 92697-2025 (United States)

    2013-08-30

    Highlights: ► Vibrational dynamics of conjugated C=O and N=N modes of ethyl diazoacetate was studied. ► Their frequency–frequency correlation functions are different. ► The dual-frequency 2D IR spectrum indicates anticorrelated frequency fluctuations. ► Correlation effects on dual-frequency 2D IR spectra are discussed. ► The existence of cis and trans conformers is revealed in 2D IR spectra. - Abstract: We have applied infrared three-pulse photon echo and single- and dual-frequency 2D IR spectroscopy to the ester C=O and diazo N=N stretching modes in ethyl diazoacetate (EDA), and investigated their vibrational frequency fluctuations and correlation. The two modes exhibit different vibrational dynamics and 2D lineshape, which are well simulated by frequency–frequency correlation functions (FFCFs) with two decaying components. Although the FT IR spectrum shows a single C=O band, absolute magnitude 2D IR nonrephasing spectrum displays spectral signatures supporting the presence of cis and trans conformations. The cross-peak inclined toward the anti-diagonal in the dual-frequency 2D IR spectrum, indicating that the frequency fluctuations of the two modes are anticorrelated. This behavior is attributed to anticorrelated change in the bond orders when solvent and structural fluctuations causes EDA to adopt a different mixture of the two dominant resonance structures. The effects of cross FFCF on the cross-peak line shape are discussed.

  3. A high-quality factor of 267 000 micromechanical silicon resonator utilizing TED-free torsional vibration mode

    Science.gov (United States)

    Nakamura, K.; Naito, Y.; Onishi, K.; Kawakatsu, H.

    2012-12-01

    In industrial applications of a micromechanical silicon resonator as a physical sensor, a high-quality factor Q and a low-temperature coefficient of Q (TCQ) are required for high sensitivity in a wide temperature range. Although the newly developed thin film encapsulation technique enables a beam to operate with low viscous damping in a vacuum cavity, the Q of a flexural vibration mode is limited by thermo-elastic damping (TED). We proposed a torsional beam resonator which features both a high Q and a low TCQ because theoretically the torsional vibration mode does not suffer from TED. From experiments, Q of 267 000 and TCQ of 1.4 for the 20 MHz torsional vibration mode were observed which were superior to those of the flexural mode. The pressure of the residual gas in the cavity of only 20 pl volume, which is one of the energy loss factors limiting the Q, was successfully estimated to be 1-14 Pa. Finally, the possibilities of improving the Q and the difference of the measured TCQ from a theoretical value were discussed.

  4. Polaritonic normal-mode splitting and light localization in a one-dimensional nanoguide

    NARCIS (Netherlands)

    Haakh, Harald R.; Faez, Sanli; Sandoghdar, Vahid

    2016-01-01

    We theoretically investigate the interaction of light and a collection of emitters in a subwavelength one-dimensional medium (nanoguide), where enhanced emitter-photon coupling leads to efficient multiple scattering of photons. We show that the spectrum of the transmitted light undergoes normal-mode

  5. Relation between Protein Intrinsic Normal Mode Weights and Pre-Existing Conformer Populations.

    Science.gov (United States)

    Ozgur, Beytullah; Ozdemir, E Sila; Gursoy, Attila; Keskin, Ozlem

    2017-04-20

    Intrinsic fluctuations of a protein enable it to sample a large repertoire of conformers including the open and closed forms. These distinct forms of the protein called conformational substates pre-exist together in equilibrium as an ensemble independent from its ligands. The role of ligand might be simply to alter the equilibrium toward the most appropriate form for binding. Normal mode analysis is proved to be useful in identifying the directions of conformational changes between substates. In this study, we demonstrate that the ratios of normalized weights of a few normal modes driving the protein between its substates can give insights about the ratios of kinetic conversion rates of the substates, although a direct relation between the eigenvalues and kinetic conversion rates or populations of each substate could not be observed. The correlation between the normalized mode weight ratios and the kinetic rate ratios is around 83% on a set of 11 non-enzyme proteins and around 59% on a set of 17 enzymes. The results are suggestive that mode motions carry intrinsic relations with thermodynamics and kinetics of the proteins.

  6. Quasi-normal modes of extremal BTZ black holes in TMG

    Science.gov (United States)

    Afshar, Hamid R.; Alishahiha, Mohsen; Mosaffa, Amir E.

    2010-08-01

    We study the spectrum of tensor perturbations on extremal BTZ black holes in topologically massive gravity for arbitrary values of the coefficient of the Chern-Simons term, μ. Imposing proper boundary conditions at the boundary of the space and at the horizon, we find that the spectrum contains quasi-normal modes.

  7. Basic mode of nonlinear spin-wave resonance in normally magnetized ferrite films

    International Nuclear Information System (INIS)

    Gulyaev, Yu.V.; Zil'berman, P.E.; Timiryazev, A.G.; Tikhomirova, M.P.

    2000-01-01

    Modes of nonlinear and spin-wave resonance (SWR) in the normally magnetized ferrite films were studied both theoretically and experimentally. The particular emphasis was placed on the basic mode of SWR. One showed theoretically that with the growth of the precession amplitude the profile of the basic mode changed. The nonlinear shift of the resonance field depends on the parameters of fixing of the surface spins. Films of ferroyttrium garnet (FYG) with strong gradient of the single-axis anisotropy field along the film thickness, as well as, FYG films of the submicron thickness where investigated experimentally. With the intensification of Uhf-power one observed the sublinear shift of the basic mode resonance field following by the superlinear growth of the absorbed power. That kind of behaviour is explained by variation of the profile of the varying magnetization space distribution [ru

  8. Segmentation of a Vibro-Shock Cantilever-Type Piezoelectric Energy Harvester Operating in Higher Transverse Vibration Modes

    Directory of Open Access Journals (Sweden)

    Darius Zizys

    2015-12-01

    Full Text Available The piezoelectric transduction mechanism is a common vibration-to-electric energy harvesting approach. Piezoelectric energy harvesters are typically mounted on a vibrating host structure, whereby alternating voltage output is generated by a dynamic strain field. A design target in this case is to match the natural frequency of the harvester to the ambient excitation frequency for the device to operate in resonance mode, thus significantly increasing vibration amplitudes and, as a result, energy output. Other fundamental vibration modes have strain nodes, where the dynamic strain field changes sign in the direction of the cantilever length. The paper reports on a dimensionless numerical transient analysis of a cantilever of a constant cross-section and an optimally-shaped cantilever with the objective to accurately predict the position of a strain node. Total effective strain produced by both cantilevers segmented at the strain node is calculated via transient analysis and compared to the strain output produced by the cantilevers segmented at strain nodes obtained from modal analysis, demonstrating a 7% increase in energy output. Theoretical results were experimentally verified by using open-circuit voltage values measured for the cantilevers segmented at optimal and suboptimal segmentation lines.

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

    Directory of Open Access Journals (Sweden)

    Qiang Zhang

    2015-01-01

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

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

    Science.gov (United States)

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

    2017-11-01

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

  11. An experimental randomized study of six different ventilatory modes in a piglet model with normal lungs

    DEFF Research Database (Denmark)

    Nielsen, J B; Sjöstrand, U H; Henneberg, S W

    1991-01-01

    A randomized study of 6 ventilatory modes was made in 7 piglets with normal lungs. Using a Servo HFV 970 (prototype system) and a Servo ventilator 900 C the ventilatory modes examined were as follows: SV-20V, i.e. volume-controlled intermittent positive-pressure ventilation (IPPV); SV-20VIosc, i...... ventilatory modes. Also the mean airway pressures were lower with the HFV modes 8-9 cm H2O compared to 11-14 cm H2O for the other modes. The gas distribution was evaluated by N2 wash-out and a modified lung clearance index. All modes showed N2 wash-out according to a two-compartment model. The SV-20P mode had.......e. volume-controlled ventilation (IPPV) with superimposed inspiratory oscillations; and SV-20VEf, i.e. volume-controlled ventilation (IPPV) with expiratory flush of fresh gas; HFV-60 denotes low-compressive high-frequency positive-pressure ventilation (HFPPV) and HVF-20 denotes low-compressive volume...

  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. Simultaneous measurements of global vibrational spectra and dephasing times of molecular vibrational modes by broadband time-resolved coherent anti-Stokes Raman scattering spectrography

    International Nuclear Information System (INIS)

    Yin Jun; Yu Ling-Yao; Liu Xing; Wan Hui; Lin Zi-Yang; Niu Han-Ben

    2011-01-01

    In broadband coherent anti-Stokes Raman scattering (CARS) spectroscopy with supercontinuum (SC), the simultaneously detectable spectral coverage is limited by the spectral continuity and the simultaneity of various spectral components of SC in an enough bandwidth. By numerical simulations, the optimal experimental conditions for improving the SC are obtained. The broadband time-resolved CARS spectrography based on the SC with required temporal and spectral distributions is realised. The global molecular vibrational spectrum with well suppressed nonresonant background noise can be obtained in a single measurement. At the same time, the measurements of dephasing times of various molecular vibrational modes can be conveniently achieved from intensities of a sequence of time-resolved CARS signals. It will be more helpful to provide a complete picture of molecular vibrations, and to exhibit a potential to understand not only both the solvent dynamics and the solute-solvent interactions, but also the mechanisms of chemical reactions in the fields of biology, chemistry and material science. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  14. Nonlinear generation of non-acoustic modes by low-frequency sound in a vibrationally relaxing gas

    International Nuclear Information System (INIS)

    Perelomova, A.

    2010-01-01

    Two dynamic equations referring to a weakly nonlinear and weakly dispersive flow of a gas in which molecular vibrational relaxation takes place, are derived. The first one governs an excess temperature associated with the thermal mode, and the second one describes variations in vibrational energy. Both quantities refer to non-wave types of gas motion. These variations are caused by the nonlinear transfer of acoustic energy into thermal mode and internal vibrational degrees of freedom of a relaxing gas. The final dynamic equations are instantaneous; they include a quadratic nonlinear acoustic source, reflecting the nonlinear character of interaction of low-frequency acoustic and non-acoustic motions of the fluid. All types of sound, periodic or aperiodic, may serve as an acoustic source of both phenomena. The low-frequency sound is considered in this study. Some conclusions about temporal behavior of non-acoustic modes caused by periodic and aperiodic sound are made. Under certain conditions, acoustic cooling takes place instead of heating. (author)

  15. Free and forced Rossby normal modes in a rectangular gulf of arbitrary orientation

    Science.gov (United States)

    Graef, Federico

    2016-09-01

    A free Rossby normal mode in a rectangular gulf of arbitrary orientation is constructed by considering the reflection of a Rossby mode in a channel at the head of the gulf. Therefore, it is the superposition of four Rossby waves in an otherwise unbounded ocean with the same frequency and wavenumbers perpendicular to the gulf axis whose difference is equal to 2mπ/W, where m is a positive integer and W the gulf's width. The lower (or higher) modes with small m (or large m) are oscillatory (evanescent) in the coordinate along the gulf; these are elucidated geometrically. However for oceanographically realistic parameter values, most of the modes are evanescent. When the gulf is forced at the mouth with a single Fourier component, the response is in general an infinite sum of modes that are needed to match the value of the streamfunction at the gulf's entrance. The dominant mode of the response is the resonant one, which corresponds to forcing with a frequency ω and wavenumber normal to the gulf axis η appropriate to a gulf mode: η =- β sin α/(2ω) ± Mπ/W, where α is the angle between the gulf's axis and the eastern direction (+ve clockwise) and M the resonant's mode number. For zonal gulfs ω drops out of the resonance condition. For the special cases η = 0 in which the free surface goes up and down at the mouth with no flow through it, or a flow with a sinusoidal profile, resonant modes can get excited for very specific frequencies (only for non-zonal gulfs in the η = 0 case). The resonant mode is around the annual frequency for a wide range of gulf orientations α ∈ [40°, 130°] or α ∈ [220°, 310°] and gulf widths between 150 and 200 km; these include the Gulf of California and the Adriatic Sea. If η is imaginary, i.e. a flow with an exponential profile, there is no resonance. In general less modes get excited if the gulf is zonally oriented.

  16. Vertical discretizations for compressible Euler equation atmospheric models giving optimal representation of normal modes

    International Nuclear Information System (INIS)

    Thuburn, J.; Woollings, T.J.

    2005-01-01

    Accurate representation of different kinds of wave motion is essential for numerical models of the atmosphere, but is sensitive to details of the discretization. In this paper, numerical dispersion relations are computed for different vertical discretizations of the compressible Euler equations and compared with the analytical dispersion relation. A height coordinate, an isentropic coordinate, and a terrain-following mass-based coordinate are considered, and, for each of these, different choices of prognostic variables and grid staggerings are considered. The discretizations are categorized according to whether their dispersion relations are optimal, are near optimal, have a single zero-frequency computational mode, or are problematic in other ways. Some general understanding of the factors that affect the numerical dispersion properties is obtained: heuristic arguments concerning the normal mode structures, and the amount of averaging and coarse differencing in the finite difference scheme, are shown to be useful guides to which configurations will be optimal; the number of degrees of freedom in the discretization is shown to be an accurate guide to the existence of computational modes; there is only minor sensitivity to whether the equations for thermodynamic variables are discretized in advective form or flux form; and an accurate representation of acoustic modes is found to be a prerequisite for accurate representation of inertia-gravity modes, which, in turn, is found to be a prerequisite for accurate representation of Rossby modes

  17. Hybrid PD and effective multi-mode positive position feedback control for slewing and vibration suppression of a smart flexible manipulator

    International Nuclear Information System (INIS)

    Lou, Jun-qiang; Wei, Yan-ding; Yang, Yi-ling; Xie, Feng-ran

    2015-01-01

    A hybrid control strategy for slewing and vibration suppression of a smart flexible manipulator is presented in this paper. It consists of a proportional derivative controller to realize motion control, and an effective multi-mode positive position feedback (EMPPF) controller to suppress the multi-mode vibration. Rather than treat each mode equally as the standard multi-mode PPF, the essence of the EMPPF is that control forces of different modes are applied according to the mode parameters of the respective modes, so the vibration modes with less vibration energy receive fewer control forces. Stability conditions for the close loop system are established through stability analysis. Optimal parameters of the EMPPF controller are obtained using the method of root locus analysis. The performance of the proposed strategy is demonstrated by simulation and experiments. Experimental results show that the first two vibration modes of the manipulator are effectively suppressed. The setting time of the setup descends approximately 55%, reaching 3.12 s from 5.67 s. (paper)

  18. Hybrid PD and effective multi-mode positive position feedback control for slewing and vibration suppression of a smart flexible manipulator

    Science.gov (United States)

    Lou, Jun-qiang; Wei, Yan-ding; Yang, Yi-ling; Xie, Feng-ran

    2015-03-01

    A hybrid control strategy for slewing and vibration suppression of a smart flexible manipulator is presented in this paper. It consists of a proportional derivative controller to realize motion control, and an effective multi-mode positive position feedback (EMPPF) controller to suppress the multi-mode vibration. Rather than treat each mode equally as the standard multi-mode PPF, the essence of the EMPPF is that control forces of different modes are applied according to the mode parameters of the respective modes, so the vibration modes with less vibration energy receive fewer control forces. Stability conditions for the close loop system are established through stability analysis. Optimal parameters of the EMPPF controller are obtained using the method of root locus analysis. The performance of the proposed strategy is demonstrated by simulation and experiments. Experimental results show that the first two vibration modes of the manipulator are effectively suppressed. The setting time of the setup descends approximately 55%, reaching 3.12 s from 5.67 s.

  19. Bifurcations of the normal modes of the Ne...Br{sub 2} complex

    Energy Technology Data Exchange (ETDEWEB)

    Blesa, Fernando [Departamento de Fisica Aplicada, Universidad de Zaragoza, Zaragoza (Spain); Mahecha, Jorge [Instituto de Fisica, Universidad de Antioquia, Medellin (Colombia); Salas, J. Pablo [Area de Fisica Aplicada, Universidad de La Rioja, Logrono (Spain); Inarrea, Manuel, E-mail: manuel.inarrea@unirioja.e [Area de Fisica Aplicada, Universidad de La Rioja, Logrono (Spain)

    2009-12-28

    We study the classical dynamics of the rare gas-dihalogen Ne...Br{sub 2} complex in its ground electronic state. By considering the dihalogen bond frozen at its equilibrium distance, the system has two degrees of freedom and its potential energy surface presents linear and T-shape isomers. We find the nonlinear normal modes of both isomers that determine the phase space structure of the system. By means of surfaces of section and applying the numerical continuation of families of periodic orbits, we detect and identify the different bifurcations suffered by the normal modes as a function of the system energy. Finally, using the Orthogonal Fast Lyapunov Indicator (OFLI), we study the evolution of the fraction of the phase space volume occupied by regular motions.

  20. Perturbations and quasi-normal modes of black holes in Einstein-Aether theory

    International Nuclear Information System (INIS)

    Konoplya, R.A.; Zhidenko, A.

    2007-01-01

    We develop a new method for calculation of quasi-normal modes of black holes, when the effective potential, which governs black hole perturbations, is known only numerically in some region near the black hole. This method can be applied to perturbations of a wide class of numerical black hole solutions. We apply it to the black holes in the Einstein-Aether theory, a theory where general relativity is coupled to a unit time-like vector field, in order to observe local Lorentz symmetry violation. We found that in the non-reduced Einstein-Aether theory, real oscillation frequency and damping rate of quasi-normal modes are larger than those of Schwarzschild black holes in the Einstein theory

  1. Investigating Equations Used to Design a Very Small Normal-Mode Helical Antenna in Free Space

    Directory of Open Access Journals (Sweden)

    Dang Tien Dung

    2018-01-01

    Full Text Available A normal-mode helical antenna (NMHA has been applied in some small devices such as tire pressure monitoring systems (TPMS and radio frequency identification (RFID tags. Previously, electrical characteristics of NMHA were obtained through electromagnetic simulations. In practical design of NMHA, equational expressions for the main electrical characteristics are more convenient. Electrical performances of NMHA can be expressed by a combination of a short dipole and small loops. Applicability of equations for a short dipole and a small loop to very small normal-mode helical antennas such as antennas around 1/100 wavelengths was not clear. In this paper, accuracies of equations for input resistances, antenna efficiency, and axial ratios are verified by comparisons with electromagnetic simulation results by FEKO software at 402 MHz. In addition, the structure of the antenna equal to 0.021 λ is fabricated, and measurements are performed to confirm the design accuracy.

  2. Calculation of normal modes of the closed waveguides in general vector case

    Science.gov (United States)

    Malykh, M. D.; Sevastianov, L. A.; Tiutiunnik, A. A.

    2018-04-01

    The article is devoted to the calculation of normal modes of the closed waveguides with an arbitrary filling ɛ, μ in the system of computer algebra Sage. Maxwell equations in the cylinder are reduced to the system of two bounded Helmholtz equations, the notion of weak solution of this system is given and then this system is investigated as a system of ordinary differential equations. The normal modes of this system are an eigenvectors of a matrix pencil. We suggest to calculate the matrix elements approximately and to truncate the matrix by usual way but further to solve the truncated eigenvalue problem exactly in the field of algebraic numbers. This approach allows to keep the symmetry of the initial problem and in particular the multiplicity of the eigenvalues. In the work would be presented some results of calculations.

  3. Correlating the vibrational spectra of structurally related molecules: A spectroscopic measure of similarity.

    Science.gov (United States)

    Tao, Yunwen; Zou, Wenli; Cremer, Dieter; Kraka, Elfi

    2018-03-05

    Using catastrophe theory and the concept of a mutation path, an algorithm is developed that leads to the direct correlation of the normal vibrational modes of two structurally related molecules. The mutation path is defined by weighted incremental changes in mass and geometry of the molecules in question, which are successively applied to mutate a molecule into a structurally related molecule and thus continuously converting their normal vibrational spectra from one into the other. Correlation diagrams are generated that accurately relate the normal vibrational modes to each other by utilizing mode-mode overlap criteria and resolving allowed and avoided crossings of vibrational eigenstates. The limitations of normal mode correlation, however, foster the correlation of local vibrational modes, which offer a novel vibrational measure of similarity. It will be shown how this will open new avenues for chemical studies. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  4. Optimization of hardening/softening behavior of plane frame structures using nonlinear normal modes

    DEFF Research Database (Denmark)

    Dou, Suguang; Jensen, Jakob Søndergaard

    2016-01-01

    Devices that exploit essential nonlinear behavior such as hardening/softening and inter-modal coupling effects are increasingly used in engineering and fundamental studies. Based on nonlinear normal modes, we present a gradient-based structural optimization method for tailoring the hardening...... involving plane frame structures where the hardening/softening behavior is qualitatively and quantitatively tuned by simple changes in the geometry of the structures....

  5. A phylogenetic analysis of normal modes evolution in enzymes and its relationship to enzyme function.

    Science.gov (United States)

    Lai, Jason; Jin, Jing; Kubelka, Jan; Liberles, David A

    2012-09-21

    Since the dynamic nature of protein structures is essential for enzymatic function, it is expected that functional evolution can be inferred from the changes in protein dynamics. However, dynamics can also diverge neutrally with sequence substitution between enzymes without changes of function. In this study, a phylogenetic approach is implemented to explore the relationship between enzyme dynamics and function through evolutionary history. Protein dynamics are described by normal mode analysis based on a simplified harmonic potential force field applied to the reduced C(α) representation of the protein structure while enzymatic function is described by Enzyme Commission numbers. Similarity of the binding pocket dynamics at each branch of the protein family's phylogeny was analyzed in two ways: (1) explicitly by quantifying the normal mode overlap calculated for the reconstructed ancestral proteins at each end and (2) implicitly using a diffusion model to obtain the reconstructed lineage-specific changes in the normal modes. Both explicit and implicit ancestral reconstruction identified generally faster rates of change in dynamics compared with the expected change from neutral evolution at the branches of potential functional divergences for the α-amylase, D-isomer-specific 2-hydroxyacid dehydrogenase, and copper-containing amine oxidase protein families. Normal mode analysis added additional information over just comparing the RMSD of static structures. However, the branch-specific changes were not statistically significant compared to background function-independent neutral rates of change of dynamic properties and blind application of the analysis would not enable prediction of changes in enzyme specificity. Copyright © 2012 Elsevier Ltd. All rights reserved.

  6. Normal modes and time evolution of a holographic superconductor after a quantum quench

    International Nuclear Information System (INIS)

    Gao, Xin; García-García, Antonio M.; Zeng, Hua Bi; Zhang, Hai-Qing

    2014-01-01

    We employ holographic techniques to investigate the dynamics of the order parameter of a strongly coupled superconductor after a perturbation that drives the system out of equilibrium. The gravity dual that we employ is the AdS_5 Soliton background at zero temperature. We first analyze the normal modes associated to the superconducting order parameter which are purely real since the background has no horizon. We then study the full time evolution of the order parameter after a quench. For sufficiently a weak and slow perturbation we show that the order parameter undergoes simple undamped oscillations in time with a frequency that agrees with the lowest normal model computed previously. This is expected as the soliton background has no horizon and therefore, at least in the probe and large N limits considered, the system will never return to equilibrium. For stronger and more abrupt perturbations higher normal modes are excited and the pattern of oscillations becomes increasingly intricate. We identify a range of parameters for which the time evolution of the order parameter become quasi chaotic. The details of the chaotic evolution depend on the type of perturbation used. Therefore it is plausible to expect that it is possible to engineer a perturbation that leads to the almost complete destruction of the oscillating pattern and consequently to quasi equilibration induced by superposition of modes with different frequencies

  7. Evaluation of diaphragmatic motion in normal and diaphragmatic paralyzed dogs using M-mode ultrasonography.

    Science.gov (United States)

    Choi, Mihyun; Lee, Namsoon; Kim, Ahyoung; Keh, Seoyeon; Lee, Jinsoo; Kim, Hyunwook; Choi, Mincheol

    2014-01-01

    Diagnosis of unilateral diaphragmatic paralysis in dogs is currently based on fluoroscopic detection of unequal movement between the crura. Bilateral paralysis may be more difficult to confirm with fluoroscopy because diaphragmatic movement is sometimes produced by compensatory abdominal muscle contractions. The purpose of this study was to develop a new method to evaluate diaphragmatic movement using M-mode ultrasonography and to describe findings for normal and diaphragmatic paralyzed dogs. Fifty-five clinically normal dogs and two dogs with diaphragmatic paralysis were recruited. Thoracic radiographs were acquired for all dogs and fluoroscopy studies were also acquired for clinically affected dogs. Two observers independently measured diaphragmatic direction of motion and amplitude of excursion using M-mode ultrasonography for dogs meeting study inclusion criteria. Eight of the clinically normal dogs were excluded due to abnormal thoracic radiographic findings. For the remaining normal dogs, the lower limit values of diaphragmatic excursion were 2.85-2.98 mm during normal breathing. One dog with bilateral diaphragmatic paralysis showed paradoxical movement of both crura at the end of inspiration. One dog with unilateral diaphragmatic paralysis had diaphragmatic excursion values of 2.00 ± 0.42 mm on the left side and 4.05 ± 1.48 mm on the right side. The difference between left and right diaphragmatic excursion values was 55%. Findings indicated that M-mode ultrasonography is a relatively simple and objective method for measuring diaphragmatic movement in dogs. Future studies are needed in a larger number of dogs with diaphragmatic paralysis to determine the diagnostic sensitivity of this promising new technique. © 2013 American College of Veterinary Radiology.

  8. Quasi-normal frequencies: Semi-analytic results for highly damped modes

    International Nuclear Information System (INIS)

    Skakala, Jozef; Visser, Matt

    2011-01-01

    Black hole highly-damped quasi-normal frequencies (QNFs) are very often of the form ω n = (offset) + in (gap). We have investigated the genericity of this phenomenon for the Schwarzschild-deSitter (SdS) black hole by considering a model potential that is piecewise Eckart (piecewise Poschl-Teller), and developing an analytic 'quantization condition' for the highly-damped quasi-normal frequencies. We find that the ω n = (offset) + in (gap) behaviour is common but not universal, with the controlling feature being whether or not the ratio of the surface gravities is a rational number. We furthermore observed that the relation between rational ratios of surface gravities and periodicity of QNFs is very generic, and also occurs within different analytic approaches applied to various types of black hole spacetimes. These observations are of direct relevance to any physical situation where highly-damped quasi-normal modes are important.

  9. Ab initio calculation of transition state normal mode properties and rate constants for the H(T)+CH4(CD4) abstraction and exchange reactions

    International Nuclear Information System (INIS)

    Schatz, G.C.; Walch, S.P.; Wagner, A.F.

    1980-01-01

    We present ab initio (GVB--POL--CI) calculations for enough of the region about the abstraction and exchange saddle points for H(T)+CH 4 (CD 4 ) to perform a full normal mode analysis of the transition states. The resulting normal mode frequencies are compared to four other published surfaces: an ab initio UHF--SCF calculation by Carsky and Zahradnik, a semiempirical surface by Raff, and two semiempirical surfaces by Kurylo, Hollinden, and Timmons. Significant quantitative and qualitative differences exist between the POL--CI results and those of the other surfaces. Transition state theory rate constants and vibrationally adiabatic reaction threshold energies were computed for all surfaces and compared to available experimental values. For abstraction, the POL--CI rates are in good agreement with experimental rates and in better agreement than are the rates of any of the other surfaces. For exchange, uncertainties in the experimental values and in the importance of vibrationally nonadiabatic effects cloud the comparison of theory to experiment. Tentative conclusions are that the POL--CI barrier is too low by several kcal. Unless vibrationaly nonadiabatic effects are severe, the POL--CI surface is still in better agreement with experiment than are the other surfaces. The rates for a simple 3-atom transition state theory model (where CH 3 is treated as an atom) are compared to the rates for the full 6-atom model. The kinetic energy coupling of reaction coordinate modes to methyl group modes is identified as being of primary importance in determining the accuracy of the 3-atom model for this system. Substantial coupling in abstraction, but not exchange, causes the model to fail for abstraction but succeed for exchange

  10. Electrical Characteristics of the Contour-Vibration-Mode Piezoelectric Transformer with Ring/Dot Electrode Area Ratio

    Science.gov (United States)

    Yoo, Juhyun; Yoon, Kwanghee; Lee, Yongwoo; Suh, Sungjae; Kim, Jongsun; Yoo, Chungsik

    2000-05-01

    Contour-vibration-mode Pb(Sb1/2Nb1/2)O3-Pb(Zr, Ti)O3 [PSN-PZT] piezoelectric transformers with different ring/dot electrode area ratios were fabricated to the size of 27.5× 27.5× 2.5 mm3 by cold isostatic pressing. The electrical properties and characteristic temperature rises caused by the vibration were measured at various load resistances. Efficiencies above 90% with load resistance were obtained from all the transformers. The voltage step-up ratio appeared to be proportional to the dot electrode area. A 14 W fluorescent lamp, T5, was successfully driven by all of the fabricated transformers. The transformer with ring/dot electrode area ratio of 4.85 exhibited the best properties in terms of output power, efficiency and characteristic temperature rise, 14.88 W, 98% and 5°C, respectively.

  11. Earth's Outer Core Properties Estimated Using Bayesian Inversion of Normal Mode Eigenfrequencies

    Science.gov (United States)

    Irving, J. C. E.; Cottaar, S.; Lekic, V.

    2016-12-01

    The outer core is arguably Earth's most dynamic region, and consists of an iron-nickel liquid with an unknown combination of lighter alloying elements. Frequencies of Earth's normal modes provide the strongest constraints on the radial profiles of compressional wavespeed, VΦ, and density, ρ, in the outer core. Recent great earthquakes have yielded new normal mode measurements; however, mineral physics experiments and calculations are often compared to the Preliminary reference Earth model (PREM), which is 35 years old and does not provide uncertainties. Here we investigate the thermo-elastic properties of the outer core using Earth's free oscillations and a Bayesian framework. To estimate radial structure of the outer core and its uncertainties, we choose to exploit recent datasets of normal mode centre frequencies. Under the self-coupling approximation, centre frequencies are unaffected by lateral heterogeneities in the Earth, for example in the mantle. Normal modes are sensitive to both VΦ and ρ in the outer core, with each mode's specific sensitivity depending on its eigenfunctions. We include a priori bounds on outer core models that ensure compatibility with measurements of mass and moment of inertia. We use Bayesian Monte Carlo Markov Chain techniques to explore different choices in parameterizing the outer core, each of which represents different a priori constraints. We test how results vary (1) assuming a smooth polynomial parametrization, (2) allowing for structure close to the outer core's boundaries, (3) assuming an Equation-of-State and adiabaticity and inverting directly for thermo-elastic parameters. In the second approach we recognize that the outer core may have distinct regions close to the core-mantle and inner core boundaries and investigate models which parameterize the well mixed outer core separately from these two layers. In the last approach we seek to map the uncertainties directly into thermo-elastic parameters including the bulk

  12. Various vibration modes in a silicon ring resonator driven by p–n diode actuators formed in the lateral direction

    Science.gov (United States)

    Tsushima, Takafumi; Asahi, Yoichi; Tanigawa, Hiroshi; Furutsuka, Takashi; Suzuki, Kenichiro

    2018-06-01

    In this paper, we describe p–n diode actuators that are formed in the lateral direction on resonators. Because previously reported p–n diode actuators, which were driven by a force parallel to the electrostatic force induced in a p–n diode, were fabricated in the perpendicular direction to the surface, the fabrication process to satisfy the requirement of realizing a p–n junction set in the middle of the plate thickness has been difficult. The resonators in this work are driven by p–n diodes formed in the lateral direction, making the process easy. We have fabricated a silicon ring resonator that has in-plane vibration using p–n–p and n–p–n diode actuators formed in the lateral direction. First, we consider a space charge model that can sufficiently accurately describe the force induced in p–n diode actuators and compare it with the capacitance model used in most computer simulations. Then, we show that multiplying the vibration amplitude calculated by computer simulation by the modification coefficient of 4/3 provides the vibration amplitude in the p–n diode actuators. Good agreement of the theory with experimental results of the in-plane vibration measured for silicon ring resonators is obtained. The computer simulation is very useful for evaluating various vibration modes in resonators driven by the p–n diode actuators. The small amplitude of the p–n diode actuator measured in this work is expected to increase greatly with increased doping of the actuator.

  13. Scalar-gravitational perturbations and quasi normal modes in the five dimensional Schwarzschild black hole

    International Nuclear Information System (INIS)

    Cardoso, Vitor; Lemos, Jose P.S.; Yoshida, Shijun

    2003-01-01

    We calculate the quasi normal modes (QNMs) for gravitational perturbations of the Schwarzschild black hole in the five dimensional (5D) spacetime with a continued fraction method. For all the types of perturbations (scalar-gravitational, vector-gravitational, and tensor-gravitational perturbations), the QNMs associated with l = 2, l 3, and l = 4 are calculated. Our numerical results are summarized as follows: (i) The three types of gravitational perturbations associated with the same angular quantum number l have a different set of the quasi normal (QN) frequencies; (ii) There is no purely imaginary frequency mode; (iii) The three types of gravitational perturbations have the same asymptotic behavior of the QNMs in the limit of the large imaginary frequencies, which are given by ωT H -1 → log 3+ 2πi(n+1/2) as n → ∞, where ω, T H , and n are the oscillation frequency, the Hawking temperature of the black hole, and the mode number, respectively. (author)

  14. Plantar fascia softening in plantar fasciitis with normal B-mode sonography.

    Science.gov (United States)

    Wu, Chueh-Hung; Chen, Wen-Shiang; Wang, Tyng-Guey

    2015-11-01

    To investigate plantar fascia elasticity in patients with typical clinical manifestations of plantar fasciitis but normal plantar fascia morphology on B-mode sonography. Twenty patients with plantar fasciitis (10 unilateral and 10 bilateral) and 30 healthy volunteers, all with normal plantar fascia morphology on B-mode sonography, were included in the study. Plantar fascia elasticity was evaluated by sonoelastographic examination. All sonoelastograms were quantitatively analyzed, and less red pixel intensity was representative of softer tissue. Pixel intensity was compared among unilateral plantar fasciitis patients, bilateral plantar fasciitis patients, and healthy volunteers by one-way ANOVA. A post hoc Scheffé's test was used to identify where the differences occurred. Compared to healthy participants (red pixel intensity: 146.9 ± 9.1), there was significantly less red pixel intensity in the asymptomatic sides of unilateral plantar fasciitis (140.4 ± 7.3, p = 0.01), symptomatic sides of unilateral plantar fasciitis (127.1 ± 7.4, p plantar fasciitis (129.4 ± 7.5, p plantar fascia thickness or green or blue pixel intensity among these groups. Sonoelastography revealed that the plantar fascia is softer in patients with typical clinical manifestations of plantar fasciitis, even if they exhibit no abnormalities on B-mode sonography.

  15. Vibrational correlation between conjugated carbonyl and diazo modes studied by single- and dual-frequency two-dimensional infrared spectroscopy

    Science.gov (United States)

    Maekawa, Hiroaki; Sul, Soohwan; Ge, Nien-Hui

    2013-08-01

    We have applied infrared three-pulse photon echo and single- and dual-frequency 2D IR spectroscopy to the ester Cdbnd O and diazo Ndbnd N stretching modes in ethyl diazoacetate (EDA), and investigated their vibrational frequency fluctuations and correlation. The two modes exhibit different vibrational dynamics and 2D lineshape, which are well simulated by frequency-frequency correlation functions (FFCFs) with two decaying components. Although the FT IR spectrum shows a single Cdbnd O band, absolute magnitude 2D IR nonrephasing spectrum displays spectral signatures supporting the presence of cis and trans conformations. The cross-peak inclined toward the anti-diagonal in the dual-frequency 2D IR spectrum, indicating that the frequency fluctuations of the two modes are anticorrelated. This behavior is attributed to anticorrelated change in the bond orders when solvent and structural fluctuations causes EDA to adopt a different mixture of the two dominant resonance structures. The effects of cross FFCF on the cross-peak line shape are discussed.

  16. High resolution spectroscopy of 1,2-difluoroethane in a molecular beam: A case study of vibrational mode-coupling

    Science.gov (United States)

    Mork, Steven W.; Miller, C. Cameron; Philips, Laura A.

    1992-09-01

    The high resolution infrared spectrum of 1,2-difluoroethane (DFE) in a molecular beam has been obtained over the 2978-2996 cm-1 spectral region. This region corresponds to the symmetric combination of asymmetric C-H stretches in DFE. Observed rotational fine structure indicates that this C-H stretch is undergoing vibrational mode coupling to a single dark mode. The dark mode is split by approximately 19 cm-1 due to tunneling between the two identical gauche conformers. The mechanism of the coupling is largely anharmonic with a minor component of B/C plane Coriolis coupling. Effects of centrifugal distortion along the molecular A-axis are also observed. Analysis of the fine structure identifies the dark state as being composed of C-C torsion, CCF bend, and CH2 rock. Coupling between the C-H stretches and the C-C torsion is of particular interest because DFE has been observed to undergo vibrationally induced isomerization from the gauche to trans conformer upon excitation of the C-H stretch.

  17. Escape time, relaxation, and sticky states of a softened Henon-Heiles model: Low-frequency vibrational mode effects and glass relaxation

    Science.gov (United States)

    Toledo-Marín, J. Quetzalcóatl; Naumis, Gerardo G.

    2018-04-01

    Here we study the relaxation of a chain consisting of three masses joined by nonlinear springs and periodic conditions when the stiffness is weakened. This system, when expressed in their normal coordinates, yields a softened Henon-Heiles system. By reducing the stiffness of one low-frequency vibrational mode, a faster relaxation is enabled. This is due to a reduction of the energy barrier heights along the softened normal mode as well as for a widening of the opening channels of the energy landscape in configurational space. The relaxation is for the most part exponential, and can be explained by a simple flux equation. Yet, for some initial conditions the relaxation follows as a power law, and in many cases there is a regime change from exponential to power-law decay. We pinpoint the initial conditions for the power-law decay, finding two regions of sticky states. For such states, quasiperiodic orbits are found since almost for all components of the initial momentum orientation, the system is trapped inside two pockets of configurational space. The softened Henon-Heiles model presented here is intended as the simplest model in order to understand the interplay of rigidity, nonlinear interactions and relaxation for nonequilibrium systems such as glass-forming melts or soft matter. Our softened system can be applied to model β relaxation in glasses and suggest that local reorientational jumps can have an exponential and a nonexponential contribution for relaxation, the latter due to asymmetric molecules sticking in cages for certain orientations.

  18. A second, low-frequency mode of vibration in the intact mammalian cochlea.

    Science.gov (United States)

    Lukashkin, Andrei N; Russell, Ian J

    2003-03-01

    The mammalian cochlea is a structure comprising a number of components connected by elastic elements. A mechanical system of this kind is expected to have multiple normal modes of oscillation and associated resonances. The guinea pig cochlear mechanics was probed using distortion components generated in the cochlea close to the place of overlap between two tones presented simultaneously. Otoacoustic emissions at frequencies of the distortion components were recorded in the ear canal. The phase behavior of the emissions reveals the presence of a nonlinear resonance at a frequency about a half octave below that of the high-frequency primary tone. The location of the resonance is level dependent and the resonance shifts to lower frequencies with increasing stimulus intensity. This resonance is thought to be associated with the tectorial membrane. The resonance tends to minimize input to the cochlear receptor cells at frequencies below the high-frequency primary and increases the dynamic load to the stereocilia of the receptor cells at the primary frequency when the tectorial membrane and reticular lamina move in counterphase.

  19. Accretion onto magnetized neutron stars: Normal mode analysis of the interchange instability at the magnetopause

    International Nuclear Information System (INIS)

    Arons, J.; Lea, S.M.

    1976-01-01

    We describe the results of a linearized hydromagnetic stability analysis of the magnetopause of an accreting neutron star. The magnetosphere is assumed to be slowly rotating, and the plasma just outside of the magnetopause is assumed to be weakly magnetized. The plasma layer is assumed to be bounded above by a shock wave, and to be thin compared with the radius of the magnetosphere. Under these circumstances, the growing modes are shown to be localized in the direction parallel to the zero-order magnetic field. The structure of the modes is still similar to the flute mode, however. The growth rate at each magnetic latitude is lambda given by γ 2 =g/sub n/kα/sub eff/(lambda) tanh [kz/sub s/(lambda)] where g/sub n/ is the magnitude of the gravitational acceleration normal to the surface, kapprox. =vertical-barmvertical-bar/R (lambda)cos lambda, vertical-barmvertical-bar is the azimuthal mode number, R (lambda) is the radius of the magnetosphere, z/sub s/ is the height of the shock above the magnetopause, and α/sub eff/(lambda) <1 is the effective Atwood number which embodies the stabilizing effects of favorable curvature and magnetic tension. We calculate α/sub eff/(lambda), and also discuss the stabilizing effects of viscosity and of aligned flow parallel to the magnetopause

  20. Normal Mode Derived Models of the Physical Properties of Earth's Outer Core

    Science.gov (United States)

    Irving, J. C. E.; Cottaar, S.; Lekic, V.; Wu, W.

    2017-12-01

    Earth's outer core, the largest reservoir of metal in our planet, is comprised of an iron alloy of an uncertain composition. Its dynamical behaviour is responsible for the generation of Earth's magnetic field, with convection driven both by thermal and chemical buoyancy fluxes. Existing models of the seismic velocity and density of the outer core exhibit some variation, and there are only a small number of models which aim to represent the outer core's density.It is therefore important that we develop a better understanding of the physical properties of the outer core. Though most of the outer core is likely to be well mixed, it is possible that the uppermost outer core is stably stratified: it may be enriched in light elements released during the growth of the solid, iron enriched, inner core; by elements dissolved from the mantle into the outer core; or by exsolution of compounds previously dissolved in the liquid metal which will eventually be swept into the mantle. The stratified layer may host MAC or Rossby waves and it could impede communication between the chemically differentiated mantle and outer core, including screening out some of the geodynamo's signal. We use normal mode center frequencies to estimate the physical properties of the outer core in a Bayesian framework. We estimate the mineral physical parameters needed to best produce velocity and density models of the outer core which are consistent with the normal mode observations. We require that our models satisfy realistic physical constraints. We create models of the outer core with and without a distinct uppermost layer and assess the importance of this region.Our normal mode-derived models are compared with observations of body waves which travel through the outer core. In particular, we consider SmKS waves which are especially sensitive to the uppermost outer core and are therefore an important way to understand the robustness of our models.

  1. Normal-mode-based analysis of electron plasma waves with second-order Hermitian formalism

    Science.gov (United States)

    Ramos, J. J.; White, R. L.

    2018-03-01

    The classic problem of the dynamic evolution and Landau damping of linear Langmuir electron waves in a collisionless plasma with Maxwellian background is cast as a second-order, self-adjoint problem with a continuum spectrum of real and positive squared frequencies. The corresponding complete basis of singular normal modes is obtained, along with their orthogonality relation. This yields easily the general expression of the time-reversal-invariant solution for any initial-value problem. Examples are given for specific initial conditions that illustrate different behaviors of the Landau-damped macroscopic moments of the perturbations.

  2. Twist–radial normal mode analysis in double-stranded DNA chains

    International Nuclear Information System (INIS)

    Torrellas, Germán; Maciá, Enrique

    2012-01-01

    We study the normal modes of a duplex DNA chain at low temperatures. We consider the coupling between the hydrogen-bond radial oscillations and the twisting motion of each base pair within the Peyrard–Bishop–Dauxois model. The coupling is mediated by the stacking interaction between adjacent base pairs along the helix. We explicitly consider different mass values for different nucleotides, extending previous works. We disclose several resonance conditions of interest, determined by the fine-tuning of certain model parameters. The role of these dynamical effects on the DNA chain charge transport properties is discussed.

  3. Normal Mode Analysis to a Poroelastic Half-Space Problem under Generalized Thermoelasticity

    Directory of Open Access Journals (Sweden)

    Chunbao Xiong

    Full Text Available Abstract The thermo-hydro-mechanical problems associated with a poroelastic half-space soil medium with variable properties under generalized thermoelasticity theory were investigated in this study. By remaining faithful to Biot’s theory of dynamic poroelasticity, we idealized the foundation material as a uniform, fully saturated, poroelastic half-space medium. We first subjected this medium to time harmonic loads consisting of normal or thermal loads, then investigated the differences between the coupled thermohydro-mechanical dynamic models and the thermo-elastic dynamic models. We used normal mode analysis to solve the resulting non-dimensional coupled equations, then investigated the effects that non-dimensional vertical displacement, excess pore water pressure, vertical stress, and temperature distribution exerted on the poroelastic half-space medium and represented them graphically.

  4. Ultrasensitive Broadband Probing of Molecular Vibrational Modes with Multifrequency Optical Antennas

    Czech Academy of Sciences Publication Activity Database

    Aouani, H.; Šípová, Hana; Rahmani, M.; Navarro-Cia, M.; Hegnerová, Kateřina; Homola, Jiří; Hong, M.; Maier, S. A.

    2013-01-01

    Roč. 7, č. 1 (2013), s. 669-675 ISSN 1936-0851 R&D Projects: GA MŠk(CZ) LH11102 Institutional support: RVO:67985882 Keywords : plasmonic * nanoantenna * vibrational spectroscopy Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 12.033, year: 2013

  5. The signal of mantle anisotropy in the coupling of normal modes

    Science.gov (United States)

    Beghein, Caroline; Resovsky, Joseph; van der Hilst, Robert D.

    2008-12-01

    We investigate whether the coupling of normal mode (NM) multiplets can help us constrain mantle anisotropy. We first derive explicit expressions of the generalized structure coefficients of coupled modes in terms of elastic coefficients, including the Love parameters describing radial anisotropy and the parameters describing azimuthal anisotropy (Jc, Js, Kc, Ks, Mc, Ms, Bc, Bs, Gc, Gs, Ec, Es, Hc, Hs, Dc and Ds). We detail the selection rules that describe which modes can couple together and which elastic parameters govern their coupling. We then focus on modes of type 0Sl - 0Tl+1 and determine whether they can be used to constrain mantle anisotropy. We show that they are sensitive to six elastic parameters describing azimuthal anisotropy, in addition to the two shear-wave elastic parameters L and N (i.e. VSV and VSH). We find that neither isotropic nor radially anisotropic mantle models can fully explain the observed degree two signal. We show that the NM signal that remains after correction for the effect of the crust and mantle radial anisotropy can be explained by the presence of azimuthal anisotropy in the upper mantle. Although the data favour locating azimuthal anisotropy below 400km, its depth extent and distribution is still not well constrained by the data. Consideration of NM coupling can thus help constrain azimuthal anisotropy in the mantle, but joint analyses with surface-wave phase velocities is needed to reduce the parameter trade-offs and improve our constraints on the individual elastic parameters and the depth location of the azimuthal anisotropy.

  6. Search for Long Period Solar Normal Modes in Ambient Seismic Noise

    Science.gov (United States)

    Caton, R.; Pavlis, G. L.

    2016-12-01

    We search for evidence of solar free oscillations (normal modes) in long period seismic data through multitaper spectral analysis of array stacks. This analysis is similar to that of Thomson & Vernon (2015), who used data from the most quiet single stations of the global seismic network. Our approach is to use stacks of large arrays of noisier stations to reduce noise. Arrays have the added advantage of permitting the use of nonparametic statistics (jackknife errors) to provide objective error estimates. We used data from the Transportable Array, the broadband borehole array at Pinyon Flat, and the 3D broadband array in Homestake Mine in Lead, SD. The Homestake Mine array has 15 STS-2 sensors deployed in the mine that are extremely quiet at long periods due to stable temperatures and stable piers anchored to hard rock. The length of time series used ranged from 50 days to 85 days. We processed the data by low-pass filtering with a corner frequency of 10 mHz, followed by an autoregressive prewhitening filter and median stack. We elected to use the median instead of the mean in order to get a more robust stack. We then used G. Prieto's mtspec library to compute multitaper spectrum estimates on the data. We produce delete-one jackknife error estimates of the uncertainty at each frequency by computing median stacks of all data with one station removed. The results from the TA data show tentative evidence for several lines between 290 μHz and 400 μHz, including a recurring line near 379 μHz. This 379 μHz line is near the Earth mode 0T2 and the solar mode 5g5, suggesting that 5g5 could be coupling into the Earth mode. Current results suggest more statistically significant lines may be present in Pinyon Flat data, but additional processing of the data is underway to confirm this observation.

  7. Dissociation pathways of a single dimethyl disulfide on Cu(111): Reaction induced by simultaneous excitation of two vibrational modes

    Energy Technology Data Exchange (ETDEWEB)

    Motobayashi, Kenta, E-mail: kmotobayashi@cat.hokudai.ac.jp [Catalysis Research Center, Hokkaido University, Sapporo 001-0021 (Japan); Department of Advanced Materials Science, The University of Tokyo, Kashiwa 277-8561 (Japan); Surface and Interface Science Laboratory, RIKEN, Wako 351-0198 (Japan); Kim, Yousoo [Surface and Interface Science Laboratory, RIKEN, Wako 351-0198 (Japan); Arafune, Ryuichi [International Center for Materials Nanoarchitectonics, National Institute for Materials Science, Tsukuba 305-0044 (Japan); Ohara, Michiaki; Ueba, Hiromu; Kawai, Maki, E-mail: maki@k.u-tokyo.ac.jp [Department of Advanced Materials Science, The University of Tokyo, Kashiwa 277-8561 (Japan)

    2014-05-21

    We present a novel reaction mechanism for a single adsorbed molecule that proceeds via simultaneous excitation of two different vibrational modes excited by inelastic tunneling electrons from a scanning tunneling microscope. Specifically, we analyze the dissociation of a single dimethyl disulfide (DMDS, (CH{sub 3}S){sub 2}) molecule on Cu(111) by using a versatile theoretical method, which permits us to simulate reaction rates as a function of sample bias voltage. The reaction is induced by the excitation of C-H stretch and S-S stretch modes by a two-electron process at low positive bias voltages. However, at increased voltages, the dissociation becomes a single-electron process that excites a combination mode of these stretches, where excitation of the C-H stretch is the energy source and excitation of the S-S stretch mode enhances the anharmonic coupling rate. A much smaller dissociation yield (few orders of magnitude) at negative bias voltages is understood in terms of the projected density of states of a single DMDS on Cu(111), which reflects resonant excitation through the molecular orbitals.

  8. Vibrational Spectral Studies of Gemfibrozil

    Science.gov (United States)

    Benitta, T. Asenath; Balendiran, G. K.; James, C.

    2008-11-01

    The Fourier Transform Raman and infrared spectra of the crystallized drug molecule 5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid (Gemfibrozil) have been recorded and analyzed. Quantum chemical computational methods have been employed using Gaussian 03 software package based on Hartree Fock method for theoretically modeling the grown molecule. The optimized geometry and vibrational frequencies have been predicted. Observed vibrational modes have been assigned with the aid of normal coordinate analysis.

  9. Fermi resonance effects on the vibration modes of hydrogen-passivated boron in silicon

    International Nuclear Information System (INIS)

    Watkins, G.D.; Fowler, W.B.; Deleo, G.G.; Stavola, M.; Kozuch, D.M.; Pearton, S.J.; Lopata, J.

    1990-01-01

    10 B - 11 B isotope shifts have been reported recently for the vibrational frequencies of hydrogen (H) and its isotope deuterium (D) in the H-B complex in silicon. The D- 10 B-D 11 B shift was found to be anomalously large. The authors show that this effect finds a natural explanation in a phenomenon called Fermi resonance, arising from a weak anharmonic coupling between the second harmonic of the transverse B vibration and the longitudinal D vibration. The authors present a simple classical explanation of the effect in terms of a parametric oscillator, or a child pumping a swing. They outline a simple quantum mechanical treatment that provides a satisfactory quantitative explanation of the results. The author's calculations also predict infrared absorption at the boron second harmonic frequencies. These are observed for both 10 B and 11 B with intensities and polarization as predicted, providing direct confirmation of the interpretation. The Pankove Si-H-B model, therefore, remains intact

  10. Possibility of observation of polaron normal modes at the far-infrared spectrum of acetanilide and related organics

    Science.gov (United States)

    Kalosakas, G.; Aubry, S.; Tsironis, G. P.

    1998-10-01

    We use a stationary and normal mode analysis of the semiclassical Holstein model in order to connect the low-frequency linear polaron modes to low-lying far-infrared lines of the acetanilide spectrum and through parameter fitting we comment on the validity of the polaron results in this system.

  11. Automatic vibration mode selection and excitation; combining modal filtering with autoresonance

    Science.gov (United States)

    Davis, Solomon; Bucher, Izhak

    2018-02-01

    Autoresonance is a well-known nonlinear feedback method used for automatically exciting a system at its natural frequency. Though highly effective in exciting single degree of freedom systems, in its simplest form it lacks a mechanism for choosing the mode of excitation when more than one is present. In this case a single mode will be automatically excited, but this mode cannot be chosen or changed. In this paper a new method for automatically exciting a general second-order system at any desired natural frequency using Autoresonance is proposed. The article begins by deriving a concise expression for the frequency of the limit cycle induced by an Autoresonance feedback loop enclosed on the system. The expression is based on modal decomposition, and provides valuable insight into the behavior of a system controlled in this way. With this expression, a method for selecting and exciting a desired mode naturally follows by combining Autoresonance with Modal Filtering. By taking various linear combinations of the sensor signals, by orthogonality one can "filter out" all the unwanted modes effectively. The desired mode's natural frequency is then automatically reflected in the limit cycle. In experiment the technique has proven extremely robust, even if the amplitude of the desired mode is significantly smaller than the others and the modal filters are greatly inaccurate.

  12. Anomalous vibrational modes in acetanilide as studied by inelastic neutron scattering

    Science.gov (United States)

    Barthes, Mariette; Eckert, Juegen; Johnson, Susanna W.; Moret, Jacques; Swanson, Basil I.; Unkefer, Clifford J.

    1992-10-01

    A study of the anomalous modes in acetanilide and five deuterated derivatives by incoherent inelastic neutron scattering is reported. These data show that the dynamics of the amide and methyl groups influence each other. In addition, the anomalous temperature behaviour of the NH out-of-plane bending mode is confirmed. These observations suggest that the self-trapping mechanism in ACN may be more complex than hitherto assumed.

  13. Evidence for Radial Anisotropy in Earth's Upper Inner Core from Normal Modes

    Science.gov (United States)

    Lythgoe, K.; Deuss, A. F.

    2017-12-01

    The structure of the uppermost inner core is related to solidification of outer core material at the inner core boundary. Previous seismic studies using body waves indicate an isotropic upper inner core, although radial anisotropy has not been considered since it cannot be uniquely determined by body waves. Normal modes, however, do constrain radial anisotropy in the inner core. Centre frequency measurements indicate 2-5 % radial anisotropy in the upper 100 km of the inner core, with a fast direction radially outwards and a slow direction along the inner core boundary. This seismic structure provides constraints on solidification processes at the inner core boundary and appears consistent with texture predicted due to anisotropic inner core growth.

  14. On the sensitivity of protein data bank normal mode analysis: an application to GH10 xylanases

    Science.gov (United States)

    Tirion, Monique M.

    2015-12-01

    Protein data bank entries obtain distinct, reproducible flexibility characteristics determined by normal mode analyses of their three dimensional coordinate files. We study the effectiveness and sensitivity of this technique by analyzing the results on one class of glycosidases: family 10 xylanases. A conserved tryptophan that appears to affect access to the active site can be in one of two conformations according to x-ray crystallographic electron density data. The two alternate orientations of this active site tryptophan lead to distinct flexibility spectra, with one orientation thwarting the oscillations seen in the other. The particular orientation of this sidechain furthermore affects the appearance of the motility of a distant, C terminal region we term the mallet. The mallet region is known to separate members of this family of enzymes into two classes.

  15. On the sensitivity of protein data bank normal mode analysis: an application to GH10 xylanases

    International Nuclear Information System (INIS)

    Tirion, Monique M

    2015-01-01

    Protein data bank entries obtain distinct, reproducible flexibility characteristics determined by normal mode analyses of their three dimensional coordinate files. We study the effectiveness and sensitivity of this technique by analyzing the results on one class of glycosidases: family 10 xylanases. A conserved tryptophan that appears to affect access to the active site can be in one of two conformations according to x-ray crystallographic electron density data. The two alternate orientations of this active site tryptophan lead to distinct flexibility spectra, with one orientation thwarting the oscillations seen in the other. The particular orientation of this sidechain furthermore affects the appearance of the motility of a distant, C terminal region we term the mallet. The mallet region is known to separate members of this family of enzymes into two classes. (paper)

  16. Low-emittance tuning of storage rings using normal mode beam position monitor calibration

    Directory of Open Access Journals (Sweden)

    A. Wolski

    2011-07-01

    Full Text Available We describe a new technique for low-emittance tuning of electron and positron storage rings. This technique is based on calibration of the beam position monitors (BPMs using excitation of the normal modes of the beam motion, and has benefits over conventional methods. It is relatively fast and straightforward to apply, it can be as easily applied to a large ring as to a small ring, and the tuning for low emittance becomes completely insensitive to BPM gain and alignment errors that can be difficult to determine accurately. We discuss the theory behind the technique, present some simulation results illustrating that it is highly effective and robust for low-emittance tuning, and describe the results of some initial experimental tests on the CesrTA storage ring.

  17. Low-emittance tuning of storage rings using normal mode beam position monitor calibration

    Science.gov (United States)

    Wolski, A.; Rubin, D.; Sagan, D.; Shanks, J.

    2011-07-01

    We describe a new technique for low-emittance tuning of electron and positron storage rings. This technique is based on calibration of the beam position monitors (BPMs) using excitation of the normal modes of the beam motion, and has benefits over conventional methods. It is relatively fast and straightforward to apply, it can be as easily applied to a large ring as to a small ring, and the tuning for low emittance becomes completely insensitive to BPM gain and alignment errors that can be difficult to determine accurately. We discuss the theory behind the technique, present some simulation results illustrating that it is highly effective and robust for low-emittance tuning, and describe the results of some initial experimental tests on the CesrTA storage ring.

  18. Vibrational dynamics of adsorbed CO2: Separability of the CO2 asymmetric stretching mode

    Czech Academy of Sciences Publication Activity Database

    Bludský, Ota; Nachtigall, Petr; Špirko, Vladimír

    2011-01-01

    Roč. 76, č. 6 (2011), s. 669-682 ISSN 0010-0765 R&D Projects: GA MŠk LC512; GA ČR GAP208/11/0436; GA MŠk(CZ) ME10032 Grant - others:GA MŠk(CZ) KONTAKT-II(LH)-CH022 Institutional research plan: CEZ:AV0Z40550506 Keywords : adsorption of CO2 * vibrational dynamics * DFT calculations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.283, year: 2011

  19. Causality analysis of leading singular value decomposition modes identifies rotor as the dominant driving normal mode in fibrillation

    Science.gov (United States)

    Biton, Yaacov; Rabinovitch, Avinoam; Braunstein, Doron; Aviram, Ira; Campbell, Katherine; Mironov, Sergey; Herron, Todd; Jalife, José; Berenfeld, Omer

    2018-01-01

    Cardiac fibrillation is a major clinical and societal burden. Rotors may drive fibrillation in many cases, but their role and patterns are often masked by complex propagation. We used Singular Value Decomposition (SVD), which ranks patterns of activation hierarchically, together with Wiener-Granger causality analysis (WGCA), which analyses direction of information among observations, to investigate the role of rotors in cardiac fibrillation. We hypothesized that combining SVD analysis with WGCA should reveal whether rotor activity is the dominant driving force of fibrillation even in cases of high complexity. Optical mapping experiments were conducted in neonatal rat cardiomyocyte monolayers (diameter, 35 mm), which were genetically modified to overexpress the delayed rectifier K+ channel IKr only in one half of the monolayer. Such monolayers have been shown previously to sustain fast rotors confined to the IKr overexpressing half and driving fibrillatory-like activity in the other half. SVD analysis of the optical mapping movies revealed a hierarchical pattern in which the primary modes corresponded to rotor activity in the IKr overexpressing region and the secondary modes corresponded to fibrillatory activity elsewhere. We then applied WGCA to evaluate the directionality of influence between modes in the entire monolayer using clear and noisy movies of activity. We demonstrated that the rotor modes influence the secondary fibrillatory modes, but influence was detected also in the opposite direction. To more specifically delineate the role of the rotor in fibrillation, we decomposed separately the respective SVD modes of the rotor and fibrillatory domains. In this case, WGCA yielded more information from the rotor to the fibrillatory domains than in the opposite direction. In conclusion, SVD analysis reveals that rotors can be the dominant modes of an experimental model of fibrillation. Wiener-Granger causality on modes of the rotor domains confirms their

  20. Single-Phase Full-Wave Rectifier as an Effective Example to Teach Normalization, Conduction Modes, and Circuit Analysis Methods

    Directory of Open Access Journals (Sweden)

    Predrag Pejovic

    2013-12-01

    Full Text Available Application of a single phase rectifier as an example in teaching circuit modeling, normalization, operating modes of nonlinear circuits, and circuit analysis methods is proposed.The rectifier supplied from a voltage source by an inductive impedance is analyzed in the discontinuous as well as in the continuous conduction mode. Completely analytical solution for the continuous conduction mode is derived. Appropriate numerical methods are proposed to obtain the circuit waveforms in both of the operating modes, and to compute the performance parameters. Source code of the program that performs such computation is provided.

  1. Vibrational modes of isolated substitution impurities in twelve compounds AN B8-N with the blende structure

    International Nuclear Information System (INIS)

    Plumelle, Pierre

    1979-01-01

    We have studied a particular point defect, the isolated substitution in twelve compounds CuCl, CuBr, CuI, ZnTe, CdTe, ZnS, ZnSe, GaAs, GaP, InSb, InP and GaSb. The model of the perfect lattice is a rigid ion model with eleven parameters. Infrared localized vibrational modes of impurities are observed in a series of samples. By comparison of these experimental results with the calculated values it is possible to determine the perturbation for each particular case. A relation obtained between a force constant of the perfect crystal and the force constant of the impurity suggests that no change is introduced by the isoelectronic impurities. (author) [fr

  2. Finite element modeling of temperature load effects on the vibration of local modes in multi-cable structures

    Science.gov (United States)

    Treyssède, Fabien

    2018-01-01

    Understanding thermal effects on the vibration of local (cable-dominant) modes in multi-cable structures is a complicated task. The main difficulty lies in the modification by temperature change of cable tensions, which are then undetermined. This paper applies a finite element procedure to investigate the effects of thermal loads on the linear dynamics of prestressed self-weighted multi-cable structures. Provided that boundary conditions are carefully handled, the discretization of cables with nonlinear curved beam elements can properly represent the thermoelastic behavior of cables as well as their linearized dynamics. A three-step procedure that aims to replace applied pretension forces with displacement continuity conditions is used. Despite an increase in the computational cost related to beam rotational degrees of freedom, such an approach has several advantages. Nonlinear beam finite elements are usually available in commercial codes. The overall method follows a thermoelastic geometrically non-linear analysis and hereby includes the main sources of non-linearities in multi-cable structures. The effects of cable bending stiffness, which can be significant, are also naturally accounted for. The accuracy of the numerical approach is assessed thanks to an analytical model for the vibration of a single inclined cable under temperature change. Then, the effects of thermal loads are investigated for two cable bridges, highlighting how natural frequencies can be affected by temperature. Although counterintuitive, a reverse relative change of natural frequency may occur for certain local modes. This phenomenon can be explained by two distinct mechanisms, one related to the physics intrinsic to cables and the other related to the thermal deflection of the superstructure. Numerical results show that cables cannot be isolated from the rest of the structure and the importance of modeling the whole structure for a quantitative analysis of temperature effects on the

  3. Spectral intensities in cubic systems. I. Progressions based upon parity vibrational modes

    International Nuclear Information System (INIS)

    Acevedo, R.; Vasquez, S.O.; Meruane, T.; Poblete, V.; Pozo, J.

    1998-01-01

    The well-resolved emission and absorption spectra of centrosymmetric coordination compounds of the transition metal ions have been used widely to provide the experimental data against which to test theoretical models of vibronic intensities. With reference to the 2 E g → 4 A 2g luminescence transition, at a perfect octahedral site in Cs 2 SiF 6 , over than one hundred vibronic lines are observed with line widths of a few wavenumber spread over some 3000 cm -1 . This paper reports a through examination of both the electronic and vibrational factors, which influences the observed vibronic intensities of the various assigned and identified lines in the spectra of the MnF 6 2- complex ion in the Cs 2 SiF 6 cubic lattice. The origin and nature of higher order vibronic interactions are analysed on the basis of a symmetrized vibronic crystal field-ligand polarization model. (Author)

  4. Vibrational Mode-Specific Reaction of Methane on a Nickel Surface

    Science.gov (United States)

    Beck, Rainer D.; Maroni, Plinio; Papageorgopoulos, Dimitrios C.; Dang, Tung T.; Schmid, Mathieu P.; Rizzo, Thomas R.

    2003-10-01

    The dissociation of methane on a nickel catalyst is a key step in steam reforming of natural gas for hydrogen production. Despite substantial effort in both experiment and theory, there is still no atomic-scale description of this important gas-surface reaction. We report quantum state-resolved studies, using pulsed laser and molecular beam techniques, of vibrationally excited methane reacting on the nickel (100) surface. For doubly deuterated methane (CD2H2), we observed that the reaction probability with two quanta of excitation in one C-H bond was greater (by as much as a factor of 5) than with one quantum in each of two C-H bonds. These results clearly exclude the possibility of statistical models correctly describing the mechanism of this process and attest to the importance of full-dimensional calculations of the reaction dynamics.

  5. H infinity controller design to a rigid-flexible satellite with two vibration modes

    International Nuclear Information System (INIS)

    De Souza, A G; De Souza, L C G

    2015-01-01

    The satellite attitude control system (ACS) design becomes more complex when the satellite structure has components like, flexible solar panels, antennas and mechanical manipulators. These flexible structures can interact with the satellite rigid parts during translational and/or rotational manoeuvre damaging the ACS pointing accuracy. Although, a well-designed controller can suppress such disturbances quickly, the controller error pointing may be limited by the minimum time necessary to suppress such disturbances thus affecting the satellite attitude acquisition. This paper deals with the rigid-flexible satellite ACS design using the H infinity method. The rigid-flexible satellite is represented by a beam connected to a central rigid hub at one end and free at the other one. The equations of motions are obtained considering small flexible deformations and the Euler-Bernoulli hypothesis. The results of the simulations have shown that the H-infinity controller was able to control the rigid motion and suppress the vibrations. (paper)

  6. Normal mode splitting and ground state cooling in a Fabry—Perot optical cavity and transmission line resonator

    International Nuclear Information System (INIS)

    Chen Hua-Jun; Mi Xian-Wu

    2011-01-01

    Optomechanical dynamics in two systems which are a transmission line resonator and Fabrya—Perot optical cavity via radiation—pressure are investigated by linearized quantum Langevin equation. We work in the resolved sideband regime where the oscillator resonance frequency exceeds the cavity linewidth. Normal mode splittings of the mechanical resonator as a pure result of the coupling interaction in the two optomechanical systems is studied, and we make a comparison of normal mode splitting of mechanical resonator between the two systems. In the optical cavity, the normal mode splitting of the movable mirror approaches the latest experiment very well. In addition, an approximation scheme is introduced to demonstrate the ground state cooling, and we make a comparison of cooling between the two systems dominated by two key factors, which are the initial bath temperature and the mechanical quality factor. Since both the normal mode splitting and cooling require working in the resolved sideband regime, whether the normal mode splitting influences the cooling of the mirror is considered. Considering the size of the mechanical resonator and precooling the system, the mechanical resonator in the transmission line resonator system is easier to achieve the ground state cooling than in optical cavity. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  7. Influence of the vibration source location on the modes of jet disintegration in the priller and on monodispersity of the finished product

    OpenAIRE

    Skydanenko, Maksym; Kononenko, Mykola; Kurdes, Yuliia

    2017-01-01

    Influence of the vibration source location on the modes of liquid jets disintegration and obtaining monodisperse droplets and granules of the finished product is theoretically grounded and experimentally confirmed. The experiment was conducted on an experimental stand of industrial granulation equipment.

  8. Resonance Raman assignment and evidence for noncoupling of individual 2- and 4-vinyl vibrational modes in a monomeric cyanomethemoglobin

    International Nuclear Information System (INIS)

    Gersonde, K.; Yu, N.T.; Lin, S.H.; Smith, K.M.; Parish, D.W.

    1989-01-01

    We have investigated the resonance Raman spectra of monomeric insect cyanomethemoglobins (CTT III and CTT IV) reconstituted with (1) protohemes IX selectively deuterated at the 4-vinyl as well as the 2,4-divinyls, (2) monovinyl-truncated hemes such as pemptoheme (2-hydrogen, 4-vinyl) and isopemptoheme (2-vinyl, 4-hydrogen), (3) symmetric hemes such as protoheme III (with 2- and 3-vinyls) and protoheme XIII (with 1- and 4-vinyls), and (4) hemes without 2- and 4-vinyls such as mesoheme IX, deuteroheme IX, 2,4-dimethyldeuteroheme IX, and 2,4-dibromodeuteroheme IX. Evidence is presented that the highly localized vinyl C = C stretching vibrations at the 2- and 4-positions of the heme in these cyanomet CTT hemoglobins are noncoupled and inequivalent; i.e., the 1631- and 1624-cm-1 lines have been assigned to 2-vinyl and 4-vinyl, respectively. The elimination of the 2-vinyl (in pemptoheme) or the 4-vinyl (in isopemptoheme) does not affect the C = C stretching frequency of the remaining vinyl. Furthermore, two low-frequency vinyl bending modes at 412 and 591 cm-1 exhibit greatly different resonance Raman intensities between 2-vinyl and 4-vinyl. The observed intensity at 412 cm-1 is primarily derived from 4-vinyl, whereas the 591-cm-1 line results exclusively from the 2-vinyl. Again, there is no significant coupling between 2-vinyl and 4-vinyl for these two bending modes

  9. Cold atmospheric-pressure plasma and bacteria: understanding the mode of action using vibrational microspectroscopy

    International Nuclear Information System (INIS)

    Kartaschew, Konstantin; Mischo, Meike; Bründermann, Erik; Havenith, Martina; Baldus, Sabrina; Awakowicz, Peter

    2016-01-01

    Cold atmospheric-pressure plasma show promising antimicrobial effects, however the detailed biochemical mechanism of the bacterial inactivation is still unknown. We investigated, for the first time, plasma-treated Gram-positive Bacillus subtilis and Gram-negative Escherichia coli bacteria with Raman and infrared microspectroscopy. A dielectric barrier discharge was used as a plasma source. We were able to detect several plasma-induced chemical modifications, which suggest a pronounced oxidative effect on the cell envelope, cellular proteins and nucleotides as well as a generation of organic nitrates in the treated bacteria. Vibrational microspectroscopy is used as a comprehensive and a powerful tool for the analysis of plasma interactions with whole organisms such as bacteria. Analysis of reaction kinetics of chemical modifications allow a time-dependent insight into the plasma-mediated impact. Investigating possible synergistic effects between the plasma-produced components, our observations strongly indicate that the detected plasma-mediated chemical alterations can be mainly explained by the particle effect of the generated reactive species. By changing the polarity of the applied voltage pulse, and hence the propagation mechanisms of streamers, no significant effect on the spectral results could be detected. This method allows the analysis of the individual impact of each plasma constituent for particular chemical modifications. Our approach shows great potential to contribute to a better understanding of plasma-cell interactions. (paper)

  10. Vibrational Mode-Specific Reaction of Methane with a Nickel Surface

    Science.gov (United States)

    Beck, Rainer

    2004-03-01

    The dissociation of methane on a nickel catalyst is a key step in steam reforming of natural gas for hydrogen production. Despite substantial effort in both experiment and theory, there is still no atomic scale description of this important gas-surface reaction. To elucidate its dynamics, we have performed quantum state resolved studies of vibrationally excited methane reacting on the Ni(100) surface using pulsed laser and molecular beam techniques. We observed up to a factor of 5 greater reaction probability for methane-d2 with two quanta of excitation in one C-H bond versus a nearly isoenergetic state with one quanta in each of two C-H bonds. The observed reactivities point to a transition state structure which has one of the C-H bonds significantly elongated. Our results also clearly exclude the possibility of statistical models correctly describing the mechanism of this process and emphasize the importance of full-dimensional calculations of the reaction dynamics.

  11. Spectral intensities in cubic systems. I. Progressions based upon parity vibrational modes

    Energy Technology Data Exchange (ETDEWEB)

    Acevedo, R.; Vasquez, S.O. [Department of Basic Chemistry, Faculty of Physical and Mathematical Sciences, University of Chile. Tupper 2069, Casilla 2777, Santiago, Chile (Chile); Meruane, T. [Department of Chemistry, Universidad Metropolitana de Ciencias de la Educacion. Av. J.P. Alessandri 774, Casilla 147, C. Santiago, Chile (Chile); Poblete, V. [Department of Nuclear Materials, Lo Aguirre, Comision Chilena de Energia Nuclear. Amunategui 95, Casilla 188-D, Santiago, Chile (Chile); Pozo, J. [Facultad de Ciencias de la Ingenieria. Universidad Diego Portales. Casilla 298-V, Santiago, Chile (Chile)

    1998-12-01

    The well-resolved emission and absorption spectra of centrosymmetric coordination compounds of the transition metal ions have been used widely to provide the experimental data against which to test theoretical models of vibronic intensities. With reference to the {sup 2} E{sub g} {yields} {sup 4} A{sub 2g} luminescence transition, at a perfect octahedral site in Cs{sub 2}SiF{sub 6}, over than one hundred vibronic lines are observed with line widths of a few wavenumber spread over some 3000 cm{sup -1}. This paper reports a through examination of both the electronic and vibrational factors, which influences the observed vibronic intensities of the various assigned and identified lines in the spectra of the MnF{sub 6} {sup 2-} complex ion in the Cs{sub 2}SiF{sub 6} cubic lattice. The origin and nature of higher order vibronic interactions are analysed on the basis of a symmetrized vibronic crystal field-ligand polarization model. (Author)

  12. NOMAD-Ref: visualization, deformation and refinement of macromolecular structures based on all-atom normal mode analysis.

    Science.gov (United States)

    Lindahl, Erik; Azuara, Cyril; Koehl, Patrice; Delarue, Marc

    2006-07-01

    Normal mode analysis (NMA) is an efficient way to study collective motions in biomolecules that bypasses the computational costs and many limitations associated with full dynamics simulations. The NOMAD-Ref web server presented here provides tools for online calculation of the normal modes of large molecules (up to 100,000 atoms) maintaining a full all-atom representation of their structures, as well as access to a number of programs that utilize these collective motions for deformation and refinement of biomolecular structures. Applications include the generation of sets of decoys with correct stereochemistry but arbitrary large amplitude movements, the quantification of the overlap between alternative conformations of a molecule, refinement of structures against experimental data, such as X-ray diffraction structure factors or Cryo-EM maps and optimization of docked complexes by modeling receptor/ligand flexibility through normal mode motions. The server can be accessed at the URL http://lorentz.immstr.pasteur.fr/nomad-ref.php.

  13. A normal mode treatment of semi-diurnal body tides on an aspherical, rotating and anelastic Earth

    Science.gov (United States)

    Lau, Harriet C. P.; Yang, Hsin-Ying; Tromp, Jeroen; Mitrovica, Jerry X.; Latychev, Konstantin; Al-Attar, David

    2015-08-01

    Normal mode treatments of the Earth's body tide response were developed in the 1980s to account for the effects of Earth rotation, ellipticity, anelasticity and resonant excitation within the diurnal band. Recent space-geodetic measurements of the Earth's crustal displacement in response to luni-solar tidal forcings have revealed geographical variations that are indicative of aspherical deep mantle structure, thus providing a novel data set for constraining deep mantle elastic and density structure. In light of this, we make use of advances in seismic free oscillation literature to develop a new, generalized normal mode theory for the tidal response within the semi-diurnal and long-period tidal band. Our theory involves a perturbation method that permits an efficient calculation of the impact of aspherical structure on the tidal response. In addition, we introduce a normal mode treatment of anelasticity that is distinct from both earlier work in body tides and the approach adopted in free oscillation seismology. We present several simple numerical applications of the new theory. First, we compute the tidal response of a spherically symmetric, non-rotating, elastic and isotropic Earth model and demonstrate that our predictions match those based on standard Love number theory. Second, we compute perturbations to this response associated with mantle anelasticity and demonstrate that the usual set of seismic modes adopted for this purpose must be augmented by a family of relaxation modes to accurately capture the full effect of anelasticity on the body tide response. Finally, we explore aspherical effects including rotation and we benchmark results from several illustrative case studies of aspherical Earth structure against independent finite-volume numerical calculations of the semi-diurnal body tide response. These tests confirm the accuracy of the normal mode methodology to at least the level of numerical error in the finite-volume predictions. They also demonstrate

  14. Detecting atmospheric normal modes with periods less than 6 h by barometric observations

    Science.gov (United States)

    Ermolenko, S. I.; Shved, G. M.; Jacobi, Ch.

    2018-04-01

    The theory of atmospheric normal modes (ANMs) predicts the existence of relatively short-period gravity-inertia ANMs. Simultaneous observations of surface air-pressure variations by barometers at distant stations of the Global Geodynamics Project network during an interval of 6 months were used to detect individual gravity-inertia ANMs with periods of ∼2-5 h. Evidence was found for five ANMs with a lifetime of ∼10 days. The data of the stations, which are close in both latitude and longitude, were utilized for deriving the phases of the detected ANMs. The phases revealed wave propagation to the west and increase of zonal wavenumbers with frequency. As all the detected gravity-inertia ANMs are westward propagating, they are suggested to be generated due to the breakdown of migrating solar tides and/or large-scale Rossby waves. The existence of an ANM background will complicate the detection of the translational motions of the Earth's inner core.

  15. Comparative analysis of guide mode of government - oriented industry guidance funds under china’s new normal of economic growth

    Science.gov (United States)

    Sun, Chunling; Cheng, Xuemei

    2017-11-01

    The government-oriented industry guidance Funds solve the problem of financing difficulty and high innovation under the background of China’s new normal. Through the provinces and cities of the policies and regulations of the collation and comparative analysis, it will be divided into three modes. And then compare among three modes and analyze applicability to guide the construction of provinces and cities.

  16. Study of vibrational modes and specific heat of wurtzite phase of BN

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Daljit, E-mail: daljit.jt@gmail.com; Sinha, M. M. [Department of Physics, SLIET, Longowal (India)

    2016-05-06

    In these days of nanotechnology the materials like BN is of utmost importance as in hexagonal phase it is among hardest materials. The phonon mode study of the materials is most important factor to find structural and thermodynamcal properties. To study the phonons de launey angular force (DAF) constant model is best suited as it involves many particle interactions. Therefore in this presentation we have studied the lattice dynamical properties and specific heat of BN in wurtzite phase using DAF model. The obtained results are in excellent agreement with existing results.

  17. Study of vibrational modes and specific heat of wurtzite phase of BN

    International Nuclear Information System (INIS)

    Singh, Daljit; Sinha, M. M.

    2016-01-01

    In these days of nanotechnology the materials like BN is of utmost importance as in hexagonal phase it is among hardest materials. The phonon mode study of the materials is most important factor to find structural and thermodynamcal properties. To study the phonons de launey angular force (DAF) constant model is best suited as it involves many particle interactions. Therefore in this presentation we have studied the lattice dynamical properties and specific heat of BN in wurtzite phase using DAF model. The obtained results are in excellent agreement with existing results.

  18. Modeling guided wave excitation in plates with surface mounted piezoelectric elements: coupled physics and normal mode expansion

    Science.gov (United States)

    Ren, Baiyang; Lissenden, Cliff J.

    2018-04-01

    Guided waves have been extensively studied and widely used for structural health monitoring because of their large volumetric coverage and good sensitivity to defects. Effectively and preferentially exciting a desired wave mode having good sensitivity to a certain defect is of great practical importance. Piezoelectric discs and plates are the most common types of surface-mounted transducers for guided wave excitation and reception. Their geometry strongly influences the proportioning between excited modes as well as the total power of the excited modes. It is highly desirable to predominantly excite the selected mode while the total transduction power is maximized. In this work, a fully coupled multi-physics finite element analysis, which incorporates the driving circuit, the piezoelectric element and the wave guide, is combined with the normal mode expansion method to study both the mode tuning and total wave power. The excitation of circular crested waves in an aluminum plate with circular piezoelectric discs is numerically studied for different disc and adhesive thicknesses. Additionally, the excitation of plane waves in an aluminum plate, using a stripe piezoelectric element is studied both numerically and experimentally. It is difficult to achieve predominant single mode excitation as well as maximum power transmission simultaneously, especially for higher order modes. However, guidelines for designing the geometry of piezoelectric elements for optimal mode excitation are recommended.

  19. Control of input delayed pneumatic vibration isolation table using adaptive fuzzy sliding mode

    Directory of Open Access Journals (Sweden)

    Mostafa Khazaee

    Full Text Available AbstractPneumatic isolators are promising candidates for increasing the quality of accurate instruments. For this purpose, higher performance of such isolators is a prerequisite. In particular, the time-delay due to the air transmission is an inherent issue with pneumatic systems, which needs to be overcome using modern control methods. In this paper an adaptive fuzzy sliding mode controller is proposed to improve the performance of a pneumatic isolator in the low frequency range, i.e., where the passive techniques have obvious shortcomings. The main idea is to combine the adaptive fuzzy controller with adaptive predictor as a new time delay control technique. The adaptive fuzzy sliding mode control and the adaptive fuzzy predictor help to circumvent the input delay and nonlinearities in such isolators. The main advantage of the proposed method is that the closed-loop system stability is guaranteed under certain conditions. Simulation results reveal the effectiveness of the proposed method, compared with other existing time -delay control methods.

  20. Blind identification of full-field vibration modes from video measurements with phase-based video motion magnification

    Science.gov (United States)

    Yang, Yongchao; Dorn, Charles; Mancini, Tyler; Talken, Zachary; Kenyon, Garrett; Farrar, Charles; Mascareñas, David

    2017-02-01

    user supervision and calibration. First a multi-scale image processing method is applied on the frames of the video of a vibrating structure to extract the local pixel phases that encode local structural vibration, establishing a full-field spatiotemporal motion matrix. Then a high-spatial dimensional, yet low-modal-dimensional, over-complete model is used to represent the extracted full-field motion matrix using modal superposition, which is physically connected and manipulated by a family of unsupervised learning models and techniques, respectively. Thus, the proposed method is able to blindly extract modal frequencies, damping ratios, and full-field (as many points as the pixel number of the video frame) mode shapes from line of sight video measurements of the structure. The method is validated by laboratory experiments on a bench-scale building structure and a cantilever beam. Its ability for output (video measurements)-only identification and visualization of the weakly-excited mode is demonstrated and several issues with its implementation are discussed.

  1. Vibrational modes of hydraulic fractures: Inference of fracture geometry from resonant frequencies and attenuation

    Science.gov (United States)

    Lipovsky, Bradley P.; Dunham, Eric M.

    2015-02-01

    Oscillatory seismic signals arising from resonant vibrations of hydraulic fractures are observed in many geologic systems, including volcanoes, glaciers and ice sheets, and hydrocarbon and geothermal reservoirs. To better quantify the physical dimensions of fluid-filled cracks and properties of the fluids within them, we study wave motion along a thin hydraulic fracture waveguide. We present a linearized analysis, valid at wavelengths greater than the fracture aperture, that accounts for quasi-static elastic deformation of the fracture walls, as well as fluid viscosity, inertia, and compressibility. In the long-wavelength limit, anomalously dispersed guided waves known as crack or Krauklis waves propagate with restoring force from fracture wall elasticity. At shorter wavelengths, the waves become sound waves within the fluid channel. Wave attenuation in our model is due to fluid viscosity, rather than seismic radiation from crack tips or fracture wall roughness. We characterize viscous damping at both low frequencies, where the flow is always fully developed, and at high frequencies, where the flow has a nearly constant velocity profile away from viscous boundary layers near the fracture walls. Most observable seismic signals from resonating fractures likely arise in the boundary layer crack wave limit, where fluid-solid coupling is pronounced and attenuation is minimal. We present a method to estimate the aperture and length of a resonating hydraulic fracture using both the seismically observed quality factor and characteristic frequency. Finally, we develop scaling relations between seismic moment and characteristic frequency that might be useful when interpreting the statistics of hydraulic fracture events.

  2. A Normalized Transfer Matrix Method for the Free Vibration of Stepped Beams: Comparison with Experimental and FE(3D Methods

    Directory of Open Access Journals (Sweden)

    Tamer Ahmed El-Sayed

    2017-01-01

    Full Text Available The exact solution for multistepped Timoshenko beam is derived using a set of fundamental solutions. This set of solutions is derived to normalize the solution at the origin of the coordinates. The start, end, and intermediate boundary conditions involve concentrated masses and linear and rotational elastic supports. The beam start, end, and intermediate equations are assembled using the present normalized transfer matrix (NTM. The advantage of this method is that it is quicker than the standard method because the size of the complete system coefficient matrix is 4 × 4. In addition, during the assembly of this matrix, there are no inverse matrix steps required. The validity of this method is tested by comparing the results of the current method with the literature. Then the validity of the exact stepped analysis is checked using experimental and FE(3D methods. The experimental results for stepped beams with single step and two steps, for sixteen different test samples, are in excellent agreement with those of the three-dimensional finite element FE(3D. The comparison between the NTM method and the finite element method results shows that the modal percentage deviation is increased when a beam step location coincides with a peak point in the mode shape. Meanwhile, the deviation decreases when a beam step location coincides with a straight portion in the mode shape.

  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. Vibrational mode frequencies of silica species in SiO2-H2O liquids and glasses from ab initio molecular dynamics.

    Science.gov (United States)

    Spiekermann, Georg; Steele-MacInnis, Matthew; Schmidt, Christian; Jahn, Sandro

    2012-04-21

    Vibrational spectroscopy techniques are commonly used to probe the atomic-scale structure of silica species in aqueous solution and hydrous silica glasses. However, unequivocal assignment of individual spectroscopic features to specific vibrational modes is challenging. In this contribution, we establish a connection between experimentally observed vibrational bands and ab initio molecular dynamics (MD) of silica species in solution and in hydrous silica glass. Using the mode-projection approach, we decompose the vibrations of silica species into subspectra resulting from several fundamental structural subunits: The SiO(4) tetrahedron of symmetry T(d), the bridging oxygen (BO) Si-O-Si of symmetry C(2v), the geminal oxygen O-Si-O of symmetry C(2v), the individual Si-OH stretching, and the specific ethane-like symmetric stretching contribution of the H(6)Si(2)O(7) dimer. This allows us to study relevant vibrations of these subunits in any degree of polymerization, from the Q(0) monomer up to the fully polymerized Q(4) tetrahedra. Demonstrating the potential of this approach for supplementing the interpretation of experimental spectra, we compare the calculated frequencies to those extracted from experimental Raman spectra of hydrous silica glasses and silica species in aqueous solution. We discuss observed features such as the double-peaked contribution of the Q(2) tetrahedral symmetric stretch, the individual Si-OH stretching vibrations, the origin of the experimentally observed band at 970 cm(-1) and the ethane-like vibrational contribution of the H(6)Si(2)O(7) dimer at 870 cm(-1).

  5. Impact of acoustic airflow on intrasinus drug deposition: New insights into the vibrating mode and the optimal acoustic frequency to enhance the delivery of nebulized antibiotic.

    Science.gov (United States)

    Leclerc, Lara; Merhie, Amira El; Navarro, Laurent; Prévôt, Nathalie; Durand, Marc; Pourchez, Jérémie

    2015-10-15

    We investigated the impact of vibrating acoustic airflow, the high frequency (f≥100 Hz) and the low frequency (f≤45 Hz) sound waves, on the enhancement of intrasinus drug deposition. (81m)Kr-gas ventilation study was performed in a plastinated human cast with and without the addition of vibrating acoustic airflow. Similarly, intrasinus drug deposition in a nasal replica using gentamicin as a marker was studied with and without the superposition of different modes of acoustic airflow. Ventilation experiments demonstrate that no sinus ventilation was observed without acoustic airflow although sinus ventilation occurred whatever the modes of acoustic airflow applied. Intrasinus drug deposition experiments showed that the high frequency acoustic airflow led to 4-fold increase in gentamicin deposition into the left maxillary sinus and to 2-fold deposition increase into the right maxillary sinus. Besides, the low frequency acoustic airflow demonstrated a significant increase of 4-fold and 2-fold in the right and left maxillary sinuses, respectively. We demonstrated the benefit of different modes of vibrating acoustic airflow for maxillary sinus ventilation and intrasinus drug deposition. The degree of gentamicin deposition varies as a function of frequency of the vibrating acoustic airflow and the geometry of the ostia. Copyright © 2015 Elsevier B.V. All rights reserved.

  6. Normal mode analysis as a method to derive protein dynamics information from the Protein Data Bank.

    Science.gov (United States)

    Wako, Hiroshi; Endo, Shigeru

    2017-12-01

    Normal mode analysis (NMA) can facilitate quick and systematic investigation of protein dynamics using data from the Protein Data Bank (PDB). We developed an elastic network model-based NMA program using dihedral angles as independent variables. Compared to the NMA programs that use Cartesian coordinates as independent variables, key attributes of the proposed program are as follows: (1) chain connectivity related to the folding pattern of a polypeptide chain is naturally embedded in the model; (2) the full-atom system is acceptable, and owing to a considerably smaller number of independent variables, the PDB data can be used without further manipulation; (3) the number of variables can be easily reduced by some of the rotatable dihedral angles; (4) the PDB data for any molecule besides proteins can be considered without coarse-graining; and (5) individual motions of constituent subunits and ligand molecules can be easily decomposed into external and internal motions to examine their mutual and intrinsic motions. Its performance is illustrated with an example of a DNA-binding allosteric protein, a catabolite activator protein. In particular, the focus is on the conformational change upon cAMP and DNA binding, and on the communication between their binding sites remotely located from each other. In this illustration, NMA creates a vivid picture of the protein dynamics at various levels of the structures, i.e., atoms, residues, secondary structures, domains, subunits, and the complete system, including DNA and cAMP. Comparative studies of the specific protein in different states, e.g., apo- and holo-conformations, and free and complexed configurations, provide useful information for studying structurally and functionally important aspects of the protein.

  7. Normal mode analysis of macromolecular systems with the mobile block Hessian method

    International Nuclear Information System (INIS)

    Ghysels, An; Van Speybroeck, Veronique; Van Neck, Dimitri; Waroquier, Michel; Brooks, Bernard R.

    2015-01-01

    Until recently, normal mode analysis (NMA) was limited to small proteins, not only because the required energy minimization is a computationally exhausting task, but also because NMA requires the expensive diagonalization of a 3N a ×3N a matrix with N a the number of atoms. A series of simplified models has been proposed, in particular the Rotation-Translation Blocks (RTB) method by Tama et al. for the simulation of proteins. It makes use of the concept that a peptide chain or protein can be seen as a subsequent set of rigid components, i.e. the peptide units. A peptide chain is thus divided into rigid blocks with six degrees of freedom each. Recently we developed the Mobile Block Hessian (MBH) method, which in a sense has similar features as the RTB method. The main difference is that MBH was developed to deal with partially optimized systems. The position/orientation of each block is optimized while the internal geometry is kept fixed at a plausible - but not necessarily optimized - geometry. This reduces the computational cost of the energy minimization. Applying the standard NMA on a partially optimized structure however results in spurious imaginary frequencies and unwanted coordinate dependence. The MBH avoids these unphysical effects by taking into account energy gradient corrections. Moreover the number of variables is reduced, which facilitates the diagonalization of the Hessian. In the original implementation of MBH, atoms could only be part of one rigid block. The MBH is now extended to the case where atoms can be part of two or more blocks. Two basic linkages can be realized: (1) blocks connected by one link atom, or (2) by two link atoms, where the latter is referred to as the hinge type connection. In this work we present the MBH concept and illustrate its performance with the crambin protein as an example

  8. Model-free methods of analyzing domain motions in proteins from simulation : A comparison of normal mode analysis and molecular dynamics simulation of lysozyme

    NARCIS (Netherlands)

    Hayward, S.; Kitao, A.; Berendsen, H.J.C.

    Model-free methods are introduced to determine quantities pertaining to protein domain motions from normal mode analyses and molecular dynamics simulations, For the normal mode analysis, the methods are based on the assumption that in low frequency modes, domain motions can be well approximated by

  9. Blind identification of full-field vibration modes of output-only structures from uniformly-sampled, possibly temporally-aliased (sub-Nyquist), video measurements

    Science.gov (United States)

    Yang, Yongchao; Dorn, Charles; Mancini, Tyler; Talken, Zachary; Nagarajaiah, Satish; Kenyon, Garrett; Farrar, Charles; Mascareñas, David

    2017-03-01

    Enhancing the spatial and temporal resolution of vibration measurements and modal analysis could significantly benefit dynamic modelling, analysis, and health monitoring of structures. For example, spatially high-density mode shapes are critical for accurate vibration-based damage localization. In experimental or operational modal analysis, higher (frequency) modes, which may be outside the frequency range of the measurement, contain local structural features that can improve damage localization as well as the construction and updating of the modal-based dynamic model of the structure. In general, the resolution of vibration measurements can be increased by enhanced hardware. Traditional vibration measurement sensors such as accelerometers have high-frequency sampling capacity; however, they are discrete point-wise sensors only providing sparse, low spatial sensing resolution measurements, while dense deployment to achieve high spatial resolution is expensive and results in the mass-loading effect and modification of structure's surface. Non-contact measurement methods such as scanning laser vibrometers provide high spatial and temporal resolution sensing capacity; however, they make measurements sequentially that requires considerable acquisition time. As an alternative non-contact method, digital video cameras are relatively low-cost, agile, and provide high spatial resolution, simultaneous, measurements. Combined with vision based algorithms (e.g., image correlation or template matching, optical flow, etc.), video camera based measurements have been successfully used for experimental and operational vibration measurement and subsequent modal analysis. However, the sampling frequency of most affordable digital cameras is limited to 30-60 Hz, while high-speed cameras for higher frequency vibration measurements are extremely costly. This work develops a computational algorithm capable of performing vibration measurement at a uniform sampling frequency lower than

  10. Normal and reversed supramolecular chirality of insulin fibrils probed by vibrational circular dichroism at the protofilament level of fibril structure.

    Science.gov (United States)

    Kurouski, Dmitry; Dukor, Rina K; Lu, Xuefang; Nafie, Laurence A; Lednev, Igor K

    2012-08-08

    Fibrils are β-sheet-rich aggregates that are generally composed of several protofibrils and may adopt variable morphologies, such as twisted ribbons or flat-like sheets. This polymorphism is observed for many different amyloid associated proteins and polypeptides. In a previous study we proposed the existence of another level of amyloid polymorphism, namely, that associated with fibril supramolecular chirality. Two chiral polymorphs of insulin, which can be controllably grown by means of small pH variations, exhibit opposite signs of vibrational circular dichroism (VCD) spectra. Herein, using atomic force microscopy (AFM) and scanning electron microscopy (SEM), we demonstrate that indeed VCD supramolecular chirality is correlated not only by the apparent fibril handedness but also by the sense of supramolecular chirality from a deeper level of chiral organization at the protofilament level of fibril structure. Our microscopic examination indicates that normal VCD fibrils have a left-handed twist, whereas reversed VCD fibrils are flat-like aggregates with no obvious helical twist as imaged by atomic force microscopy or scanning electron microscopy. A scheme is proposed consistent with observed data that features a dynamic equilibrium controlled by pH at the protofilament level between left- and right-twist fibril structures with distinctly different aggregation pathways for left- and right-twisted protofilaments. Copyright © 2012 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  11. Research on the equivalent circuit model of a circular flexural-vibration-research on the equivalent circuit model of a circular flexural-vibration-mode piezoelectric transformer with moderate thickness.

    Science.gov (United States)

    Huang, Yihua; Huang, Wenjin; Wang, Qinglei; Su, Xujian

    2013-07-01

    The equivalent circuit model of a piezoelectric transformer is useful in designing and optimizing the related driving circuits. Based on previous work, an equivalent circuit model for a circular flexural-vibration-mode piezoelectric transformer with moderate thickness is proposed and validated by finite element analysis. The input impedance, voltage gain, and efficiency of the transformer are determined through computation. The basic behaviors of the transformer are shown by numerical results.

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

    Science.gov (United States)

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

    1995-01-01

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

  13. 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...

  14. Vibrational Spectroscopy of the CCl[subscript 4] v[subscript 1] Mode: Theoretical Prediction of Isotopic Effects

    Science.gov (United States)

    Gaynor, James D.; Wetterer, Anna M.; Cochran, Rea M.; Valente, Edward J.; Mayer, Steven G.

    2015-01-01

    Raman spectroscopy is a powerful experimental technique, yet it is often missing from the undergraduate physical chemistry laboratory curriculum. Tetrachloromethane (CCl[subscript 4]) is the ideal molecule for an introductory vibrational spectroscopy experiment and the symmetric stretch vibration contains fine structure due to isotopic variations…

  15. Structural improvement of unliganded simian immunodeficiency virus gp120 core by normal-mode-based X-ray crystallographic refinement

    International Nuclear Information System (INIS)

    Chen, Xiaorui; Lu, Mingyang; Poon, Billy K.; Wang, Qinghua; Ma, Jianpeng

    2009-01-01

    The structural model of the unliganded and fully glycosylated simian immunodeficiency virus gp120 core determined to 4.0 Å resolution was substantially improved using a recently developed normal-mode-based anisotropic B-factor refinement method. The envelope protein gp120/gp41 of simian and human immunodeficiency viruses plays a critical role in viral entry into host cells. However, the extraordinarily high structural flexibility and heavy glycosylation of the protein have presented enormous difficulties in the pursuit of high-resolution structural investigation of some of its conformational states. An unliganded and fully glycosylated gp120 core structure was recently determined to 4.0 Å resolution. The rather low data-to-parameter ratio limited refinement efforts in the original structure determination. In this work, refinement of this gp120 core structure was carried out using a normal-mode-based refinement method that has been shown in previous studies to be effective in improving models of a supramolecular complex at 3.42 Å resolution and of a membrane protein at 3.2 Å resolution. By using only the first four nonzero lowest-frequency normal modes to construct the anisotropic thermal parameters, combined with manual adjustments and standard positional refinement using REFMAC5, the structural model of the gp120 core was significantly improved in many aspects, including substantial decreases in R factors, better fitting of several flexible regions in electron-density maps, the addition of five new sugar rings at four glycan chains and an excellent correlation of the B-factor distribution with known structural flexibility. These results further underscore the effectiveness of this normal-mode-based method in improving models of protein and nonprotein components in low-resolution X-ray structures

  16. Virtual screening for potential inhibitors of Mcl-1 conformations sampled by normal modes, molecular dynamics, and nuclear magnetic resonance

    Directory of Open Access Journals (Sweden)

    Glantz-Gashai Y

    2017-06-01

    Full Text Available Yitav Glantz-Gashai,* Tomer Meirson,* Eli Reuveni, Abraham O Samson Faculty of Medicine in the Galilee, Bar Ilan University, Safed, Israel *These authors contributed equally to this work Abstract: Myeloid cell leukemia-1 (Mcl-1 is often overexpressed in human cancer and is an important target for developing antineoplastic drugs. In this study, a data set containing 2.3 million lead-like molecules and a data set of all the US Food and Drug Administration (FDA-approved drugs are virtually screened for potential Mcl-1 ligands using Protein Data Bank (PDB ID 2MHS. The potential Mcl-1 ligands are evaluated and computationally docked on to three conformation ensembles generated by normal mode analysis (NMA, molecular dynamics (MD, and nuclear magnetic resonance (NMR, respectively. The evaluated potential Mcl-1 ligands are then compared with their clinical use. Remarkably, half of the top 30 potential drugs are used clinically to treat cancer, thus partially validating our virtual screen. The partial validation also favors the idea that the other half of the top 30 potential drugs could be used in the treatment of cancer. The normal mode-, MD-, and NMR-based conformation greatly expand the conformational sampling used herein for in silico identification of potential Mcl-1 inhibitors. Keywords: virtual screening, Mcl-1, molecular dynamics, NMR, normal modes

  17. An experimental randomized study of six different ventilatory modes in a piglet model with normal lungs

    DEFF Research Database (Denmark)

    Nielsen, J B; Sjöstrand, U H; Henneberg, S W

    1991-01-01

    -controlled intermittent positive-pressure ventilation; and SV-20P denotes pressure-controlled intermittent positive-pressure ventilation. With all modes of ventilation a PEEP of 7.5 cm H2O was used. In the abbreviations used, the number denotes the ventilatory frequency in breaths per minute (bpm). HFV indicates that all...

  18. Noise induced multidecadal variability in the North Atlantic: excitation of normal modes

    NARCIS (Netherlands)

    Frankcombe, L.M.; Dijkstra, H.A.; von der Heydt, A.S.

    2009-01-01

    In this paper it is proposed that the stochastic excitation of a multidecadal internal ocean mode is at the origin of the multidecadal sea surface temperature variability in the North Atlantic. The excitation processes of the spatial sea surface temperature pattern associated with this multidecadal

  19. 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.

  20. Probabilistic estimation of splitting coefficients of normal modes of the Earth, and their uncertainties, using an autoregressive technique

    Science.gov (United States)

    Pachhai, S.; Masters, G.; Laske, G.

    2017-12-01

    Earth's normal-mode spectra are crucial to studying the long wavelength structure of the Earth. Such observations have been used extensively to estimate "splitting coefficients" which, in turn, can be used to determine the three-dimensional velocity and density structure. Most past studies apply a non-linear iterative inversion to estimate the splitting coefficients which requires that the earthquake source is known. However, it is challenging to know the source details, particularly for big events as used in normal-mode analyses. Additionally, the final solution of the non-linear inversion can depend on the choice of damping parameter and starting model. To circumvent the need to know the source, a two-step linear inversion has been developed and successfully applied to many mantle and core sensitive modes. The first step takes combinations of the data from a single event to produce spectra known as "receiver strips". The autoregressive nature of the receiver strips can then be used to estimate the structure coefficients without the need to know the source. Based on this approach, we recently employed a neighborhood algorithm to measure the splitting coefficients for an isolated inner-core sensitive mode (13S2). This approach explores the parameter space efficiently without any need of regularization and finds the structure coefficients which best fit the observed strips. Here, we implement a Bayesian approach to data collected for earthquakes from early 2000 and more recent. This approach combines the data (through likelihood) and prior information to provide rigorous parameter values and their uncertainties for both isolated and coupled modes. The likelihood function is derived from the inferred errors of the receiver strips which allows us to retrieve proper uncertainties. Finally, we apply model selection criteria that balance the trade-offs between fit (likelihood) and model complexity to investigate the degree and type of structure (elastic and anelastic

  1. Multi-Mode Vibration Suppression in MIMO Systems by Extending the Zero Placement Input Shaping Technique: Applications to a 3-DOF Piezoelectric Tube Actuator

    Directory of Open Access Journals (Sweden)

    Yasser Al Hamidi

    2016-04-01

    Full Text Available Piezoelectric tube actuators are extensively used in scanning probe microscopes to provide dynamic scanning motions in open-loop operations. Furthermore, they are employed as micropositioners due to their high bandwidth, high resolution and ease of excitation. However, these piezoelectric micropositioners exhibit badly damped vibrations that occur when the input excites the dynamic response, which tends to degrade positioning accuracy and performance. This paper deals with vibrations’ feedforward control of a multi-degrees of freedom (DOF piezoelectric micropositioner in order to damp the vibrations in the direct axes and to reduce the cross-couplings. The novelty in this paper relative to the existing vibrations feedforward controls is the simplicity in design approach, the minimal number of shaper impulses for each input required to damp all modes of vibration at each output, and the account for the strong cross-couplings which only occur in multi-DOF cases. A generalization to a multiple degrees of freedom actuator is first proposed. Then simulation runs on a 3-DOF piezoelectric tube micropositioner have been effectuated to demonstrate the efficiency of the proposed method. Finally, experimental tests were carried out to validate and to confirm the predicted simulation.

  2. Endoscopic mode for three-dimensional CT display of normal and pathologic laryngeal structures

    International Nuclear Information System (INIS)

    Sanuki, Tetsuji; Hyodo, Masamitsu; Yumoto, Eiji; Yasuhara, Yoshifumi; Ochi, Takashi

    1997-01-01

    The recent development of helical (spiral) computed tomography allows collection of volumetric data to obtain high quality three-dimensional (3D) reconstructed images. The authors applied the 3D CT endoscopic imaging technique to asses normal and pathologic laryngeal structures. The latter included trauma, vocal fold atrophy, cancer of the larynx and recurrent nerve palsy. This technique was able to show normal laryngeal structures and characteristic findings of each pathology. The 3D CT endoscopic images can be rotated around any axis, allowing optimal depiction of pathologic lesion. The use of 3D CT endoscopic technique provides the display of the location and extent of pathology and affords accurate therapeutic planning. (author)

  3. Pump induced normal mode splittings in phase conjugation in a Kerr ...

    Indian Academy of Sciences (India)

    Abstract. Phase conjugation in a Kerr nonlinear waveguide is studied with counter-propagating normally incident pumps and a probe beam at an arbitrary angle of incidence. Detailed numerical results for the specular and phase conjugated reflectivities are obtained with full account of pump depletion. For sufficient ...

  4. Robust Seismic Normal Modes Computation in Radial Earth Models and A Novel Classification Based on Intersection Points of Waveguides

    Science.gov (United States)

    Ye, J.; Shi, J.; De Hoop, M. V.

    2017-12-01

    We develop a robust algorithm to compute seismic normal modes in a spherically symmetric, non-rotating Earth. A well-known problem is the cross-contamination of modes near "intersections" of dispersion curves for separate waveguides. Our novel computational approach completely avoids artificial degeneracies by guaranteeing orthonormality among the eigenfunctions. We extend Wiggins' and Buland's work, and reformulate the Sturm-Liouville problem as a generalized eigenvalue problem with the Rayleigh-Ritz Galerkin method. A special projection operator incorporating the gravity terms proposed by de Hoop and a displacement/pressure formulation are utilized in the fluid outer core to project out the essential spectrum. Moreover, the weak variational form enables us to achieve high accuracy across the solid-fluid boundary, especially for Stoneley modes, which have exponentially decaying behavior. We also employ the mixed finite element technique to avoid spurious pressure modes arising from discretization schemes and a numerical inf-sup test is performed following Bathe's work. In addition, the self-gravitation terms are reformulated to avoid computations outside the Earth, thanks to the domain decomposition technique. Our package enables us to study the physical properties of intersection points of waveguides. According to Okal's classification theory, the group velocities should be continuous within a branch of the same mode family. However, we have found that there will be a small "bump" near intersection points, which is consistent with Miropol'sky's observation. In fact, we can loosely regard Earth's surface and the CMB as independent waveguides. For those modes that are far from the intersection points, their eigenfunctions are localized in the corresponding waveguides. However, those that are close to intersection points will have physical features of both waveguides, which means they cannot be classified in either family. Our results improve on Okal

  5. Quantum chemical study of agonist-receptor vibrational interactions for activation of the glutamate receptor.

    Science.gov (United States)

    Kubo, M; Odai, K; Sugimoto, T; Ito, E

    2001-06-01

    To understand the mechanism of activation of a receptor by its agonist, the excitation and relaxation processes of the vibrational states of the receptor should be examined. As a first approach to this problem, we calculated the normal vibrational modes of agonists (glutamate and kainate) and an antagonist (6-cyano-7-nitroquinoxaline-2,3-dione: CNQX) of the glutamate receptor, and then investigated the vibrational interactions between kainate and the binding site of glutamate receptor subunit GluR2 by use of a semiempirical molecular orbital method (MOPAC2000-PM3). We found that two local vibrational modes of kainate, which were also observed in glutamate but not in CNQX, interacted through hydrogen bonds with the vibrational modes of GluR2: (i) the bending vibration of the amine group of kainate, interacting with the stretching vibration of the carboxyl group of Glu705 of GluR2, and (ii) the symmetric stretching vibration of the carboxyl group of kainate, interacting with the bending vibration of the guanidinium group of Arg485. We also found collective modes with low frequency at the binding site of GluR2 in the kainate-bound state. The vibrational energy supplied by an agonist may flow from the high-frequency local modes to the low-frequency collective modes in a receptor, resulting in receptor activation.

  6. Nanomechanical inverse electromagnetically induced transparency and confinement of light in normal modes

    International Nuclear Information System (INIS)

    Agarwal, G S; Huang, Sumei

    2014-01-01

    We demonstrate the existence of the phenomenon of the inverse electromagnetically induced transparency (IEIT) in an opto mechanical system consisting of a nanomechanical mirror placed in an optical cavity. We show that two weak counter-propagating identical classical probe fields can be completely absorbed by the system in the presence of a strong coupling field so that the output probe fields are zero. The light is completely confined inside the cavity and the energy of the incoming probe fields is shared between the cavity field and creation of a coherent phonon and resides primarily in one of the polariton modes. The energy can be extracted by a perturbation of the external fields or by suddenly changing the Q of the cavity. (paper)

  7. 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.

  8. Portable vibration exciter

    Science.gov (United States)

    Beecher, L. C.; Williams, F. T.

    1970-01-01

    Gas-driven vibration exciter produces a sinusoidal excitation function controllable in frequency and in amplitude. It allows direct vibration testing of components under normal loads, removing the possibility of component damage due to high static pressure.

  9. ECHOCARDIOGRAPHIC FINDINGS OF BIDIMENSIONAL MODE, M-MODE, AND DOPPLER OF CLINICALLY NORMAL BLACK-RUMPED AGOUTI (DASYPROCTA PRYMNOLOPHA, WAGLER 1831).

    Science.gov (United States)

    Diniz, Anaemilia das Neves; Pessoa, Gerson Tavares; da Silva Moura, Laecio; de Sousa, André Braga; Sousa, Francisco das Chagas Araújo; de Sá Rodrigues, Renan Paraguassu; da Silva Barbosa, Maria Angélica Parente; de Almeida, Hatawa Melo; Freire, Larisse Danielle Silva; Sanches, Marina Pinto; Júnior, Antônio Augusto Nascimento Machado; Guerra, Porfírio Candanedo; Neves, Willams Costa; de Sousa, João Macedo; Bolfer, Luiz; Giglio, Robson Fortes; Alves, Flávio Ribeiro

    2017-06-01

    The black-rumped agouti ( Dasyprocta prymnolopha , Wagler 1831) is currently under intense ecologic pressure, which has resulted in its disappearance from some regions of Brazil. Echocardiography is widely used in veterinary medicine but it is not yet part of the clinical routine for wild animals. The objective of the present study was to assess the applicability of the echocardiographic exam in nonanesthetized agouti and to establish normal reference values for echocardiographic measurements in bidimensional mode (2D), M-mode, and Doppler for this species, and a lead II electrocardiogram was simultaneously recorded. Twenty agouti were used in this study. All the echocardiographic measurements were positively correlated with weight (P 0.05). Blood flow velocities in the pulmonary and aortic artery ranged from 67.32-71.28 cm/sec and 79.22-101.84 cm/sec, respectively. The isovolumic relaxation time was assessed in all the animals and ranged from 38.5 to 56.6 ms. The maximum value for the nonfused E and A waves and the Et and At waves was 158 beats/min for both. The results obtained for the morphologic and heart hemodynamic measurements can guide future studies and help in the clinical management of these animals in captivity.

  10. Normal modes and the Duschinsky mixing of the ground- and excited-state vibrations of the green fluorescent protein chromophore

    Czech Academy of Sciences Publication Activity Database

    Gnanasekaran, Ramachandran

    2013-01-01

    Roč. 587, NOV 5 (2013), s. 61-67 ISSN 0009-2614 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388963 Keywords : proton-transfer * gas-phase * GFP Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.991, year: 2013

  11. Extracting surface waves, hum and normal modes: time-scale phase-weighted stack and beyond

    Science.gov (United States)

    Ventosa, Sergi; Schimmel, Martin; Stutzmann, Eleonore

    2017-10-01

    Stacks of ambient noise correlations are routinely used to extract empirical Green's functions (EGFs) between station pairs. The time-frequency phase-weighted stack (tf-PWS) is a physically intuitive nonlinear denoising method that uses the phase coherence to improve EGF convergence when the performance of conventional linear averaging methods is not sufficient. The high computational cost of a continuous approach to the time-frequency transformation is currently a main limitation in ambient noise studies. We introduce the time-scale phase-weighted stack (ts-PWS) as an alternative extension of the phase-weighted stack that uses complex frames of wavelets to build a time-frequency representation that is much more efficient and fast to compute and that preserve the performance and flexibility of the tf-PWS. In addition, we propose two strategies: the unbiased phase coherence and the two-stage ts-PWS methods to further improve noise attenuation, quality of the extracted signals and convergence speed. We demonstrate that these approaches enable to extract minor- and major-arc Rayleigh waves (up to the sixth Rayleigh wave train) from many years of data from the GEOSCOPE global network. Finally we also show that fundamental spheroidal modes can be extracted from these EGF.

  12. Coupling of Rayleigh-like waves with zero-sound modes in normal 3He

    International Nuclear Information System (INIS)

    Bogacz, S.A.; Ketterson, J.B.

    1985-01-01

    The Landau kinetic equation is solved in the collisionless regime for a sample of normal 3 He excited by a surface perturbation of arbitrary ω and k. The boundary condition for the nonequilibrium particle distribution is determined for the case of specular reflection of the elementary excitations at the interface. Using the above solution, the energy flux through the boundary is obtained as a function of the surface wave velocity ω/k. The absorption spectrum and its frequency derivative are calculated numerically for typical values of temperature and pressure. The spectrum displays a sharp, resonant-like maximum concentrated at the longitudinal sound velocity and a sharp maximum of the derivative concentrated at the transverse sound velocity. The energy transfer is cut off discontinuously below the Fermi velocity. An experimental measurement of the energy transfer spectrum would permit a determination of both zero-sound velocities and the Fermi velocity with spectroscopic precision

  13. 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.

  14. Simulation of vibrational energy transfer in two-dimensional infrared spectroscopy of amide I and amide II modes in solution

    NARCIS (Netherlands)

    Bloem, Robbert; Dijkstra, Arend G.; Jansen, Thomas La Cour; Knoester, Jasper

    2008-01-01

    Population transfer between vibrational eigenstates is important for many phenomena in chemistry. In solution, this transfer is induced by fluctuations in molecular conformation as well as in the surrounding solvent. We develop a joint electrostatic density functional theory map that allows us to

  15. Franck-Condon fingerprinting of vibration-tunneling spectra.

    Science.gov (United States)

    Berrios, Eduardo; Sundaradevan, Praveen; Gruebele, Martin

    2013-08-15

    We introduce Franck-Condon fingerprinting as a method for assigning complex vibration-tunneling spectra. The B̃ state of thiophosgene (SCCl2) serves as our prototype. Despite several attempts, assignment of its excitation spectrum has proved difficult because of near-degenerate vibrational frequencies, Fermi resonance between the C-Cl stretching mode and the Cl-C-Cl bending mode, and large tunneling splittings due to the out-of-plane umbrella mode. Hence, the spectrum has never been fitted to an effective Hamiltonian. Our assignment approach replaces precise frequency information with intensity information, eliminating the need for double resonance spectroscopy or combination differences, neither of which have yielded a full assignment thus far. The dispersed fluorescence spectrum of each unknown vibration-tunneling state images its character onto known vibrational progressions in the ground state. By using this Franck-Condon fingerprint, we were able to determine the predominant character of several vibration-tunneling states and assign them; in other cases, the fingerprinting revealed that the states are strongly mixed and cannot be characterized with a simple normal mode assignment. The assigned transitions from vibration-tunneling wave functions that were not too strongly mixed could be fitted within measurement uncertainty by an effective vibration-tunneling Hamiltonian. A fit of all observed vibration-tunneling states will require a full resonance-tunneling Hamiltonian.

  16. A New Fuzzy Sliding Mode Controller with a Disturbance Estimator for Robust Vibration Control of a Semi-Active Vehicle Suspension System

    Directory of Open Access Journals (Sweden)

    Byung-Keun Song

    2017-10-01

    Full Text Available This paper presents a new fuzzy sliding mode controller (FSMC to improve control performances in the presence of uncertainties related to model errors and external disturbance (UAD. As a first step, an adaptive control law is designed using Lyapunov stability analysis. The control law can update control parameters of the FSMC with a disturbance estimator (DE in which the closed-loop stability and finite-time convergence of tracking error are guaranteed. A solution for estimating the compensative quantity of the impact of UAD on a control system and a set of solutions are then presented in order to avoid the singular cases of the fuzzy-based function approximation, increase convergence ability, and reduce the calculating cost. Subsequently, the effectiveness of the proposed controller is verified through the investigation of vibration control performances of a semi-active vehicle suspension system featuring a magnetorheological damper (MRD. It is shown that the proposed controller can provide better control ability of vibration control with lower consumed power compared with two existing fuzzy sliding mode controllers.

  17. Study of core support barrel vibration monitoring using ex-core neutron noise analysis and fuzzy logic algorithm

    International Nuclear Information System (INIS)

    Christian, Robby; Song, Seon Ho; Kang, Hyun Gook

    2015-01-01

    The application of neutron noise analysis (NNA) to the ex-core neutron detector signal for monitoring the vibration characteristics of a reactor core support barrel (CSB) was investigated. Ex-core flux data were generated by using a nonanalog Monte Carlo neutron transport method in a simulated CSB model where the implicit capture and Russian roulette technique were utilized. First and third order beam and shell modes of CSB vibration were modeled based on parallel processing simulation. A NNA module was developed to analyze the ex-core flux data based on its time variation, normalized power spectral density, normalized cross-power spectral density, coherence, and phase differences. The data were then analyzed with a fuzzy logic module to determine the vibration characteristics. The ex-core neutron signal fluctuation was directly proportional to the CSB's vibration observed at 8Hz and15Hzin the beam mode vibration, and at 8Hz in the shell mode vibration. The coherence result between flux pairs was unity at the vibration peak frequencies. A distinct pattern of phase differences was observed for each of the vibration models. The developed fuzzy logic module demonstrated successful recognition of the vibration frequencies, modes, orders, directions, and phase differences within 0.4 ms for the beam and shell mode vibrations.

  18. Experimental investigations of pulse shape control in passively mode-locked fiber lasers with net-normal dispersion

    International Nuclear Information System (INIS)

    Wang, L R; Han, D D

    2013-01-01

    Pulse shape control in passively mode-locked fiber lasers with net-normal dispersion is investigated experimentally. Three kinds of pulses with different spectral and temporal shapes are observed, and their pulse-shaping mechanisms are discussed. After a polarization-resolved system external to the cavity, the maximum intensity differences of the two polarization components for the rectangular-spectrum (RS), Gaussian-spectrum (GS), and super-broadband (SB) pulses are measured as ∼20 dB, ∼15 dB, and ∼1 dB, respectively. It is suggested that the equivalent saturable absorption effect plays an increasingly important role from the RS to GS and then to SB pulses in the pulse-shaping processes, while the spectral filtering effect declines. This work could help in systematically understanding pulse formation and proposing guidelines for the realization of pulses with better performance in fiber lasers. (paper)

  19. Comparative effectiveness of videotape and handout mode of instructions for teaching exercises: skill retention in normal children

    Directory of Open Access Journals (Sweden)

    Gupta Garima

    2012-01-01

    Full Text Available Abstract Background Teaching of motor skills is fundamental to physical therapy practice. In order to optimize the benefits of these teaching and training efforts, various forms of patient education material are developed and handed out to patients. One very important fact has been overlooked. While comparative effectiveness of various modes of instruction has been studied in adults, attention has not been paid to the fact that learning capabilities of children are different from that of adults. The intent of the present study is to compare the effectiveness of video and handout mode of instructions specifically on children. Methods A total of 115 normal elementary-age children aged 10 to 12 years of age were studied. The children were randomized into two groups: A the video group, and B the handout group. The video group viewed the video for physical therapy exercises while the handout group was provided with paper handouts especially designed according to the readability of their age group. Results Statistical analysis using the student's't' test showed that subjects of both the video and handout groups exhibited equal overall performance accuracy. There was no significant difference between the groups both in acquisition and retention accuracy tests. Conclusion The findings of the present study suggest that if the readability and instructional principles applicable to different target age groups are strictly adhered to, then both video as well as handout modes of instructions result in similar feedback and memory recall in ten to twelve year-old children. Principles of readability related to the patient age are of utmost importance when designing the patient education material. These findings suggest that the less expensive handouts can be an effective instructional aid for teaching exercises to children with various neuromuscular, rheumatic, and orthopedics conditions and the most costly videotape techniques are not necessarily better.

  20. Reliable before-fabrication forecasting of normal and touch mode MEMS capacitive pressure sensor: modeling and simulation

    Science.gov (United States)

    Jindal, Sumit Kumar; Mahajan, Ankush; Raghuwanshi, Sanjeev Kumar

    2017-10-01

    An analytical model and numerical simulation for the performance of MEMS capacitive pressure sensors in both normal and touch modes is required for expected behavior of the sensor prior to their fabrication. Obtaining such information should be based on a complete analysis of performance parameters such as deflection of diaphragm, change of capacitance when the diaphragm deflects, and sensitivity of the sensor. In the literature, limited work has been carried out on the above-stated issue; moreover, due to approximation factors of polynomials, a tolerance error cannot be overseen. Reliable before-fabrication forecasting requires exact mathematical calculation of the parameters involved. A second-order polynomial equation is calculated mathematically for key performance parameters of both modes. This eliminates the approximation factor, and an exact result can be studied, maintaining high accuracy. The elimination of approximation factors and an approach of exact results are based on a new design parameter (δ) that we propose. The design parameter gives an initial hint to the designers on how the sensor will behave once it is fabricated. The complete work is aided by extensive mathematical detailing of all the parameters involved. Next, we verified our claims using MATLAB® simulation. Since MATLAB® effectively provides the simulation theory for the design approach, more complicated finite element method is not used.

  1. Vibrational quasi-continuum in unimolecular multiphoton dissociation

    Energy Technology Data Exchange (ETDEWEB)

    Garcia Fernandez, P.; Gonzalez-Diaz, P.F.

    1987-04-01

    The vibrational quasi-continuum of the boron trifluoride molecule has been qualitatively studied and the formalism extended to treat N-normal-mode molecules. The anharmonic potential curves for the BF/sub 3/ normal modes have been calculated, and the computed anharmonicity constants have been tested against the fundamental frequencies. The potential curve of the wagging mode has been simulated by an internal rotation of one of the fluoride atoms. The vibrational-energy levels and wave functions have been calculated applying second-order perturbation theory. The quasi-continuum energy levels of BF/sub 3/ have been obtained by means of a method based in forming adequate linear combinations of wave functions belonging to the N-1 modes resulting from removing the i.r.-active mode;the associated energies have been minimized using a constrained minimization procedure. It has been found that the energy pattern of the N-1 vibrational modes possesses an energy density high enough for constituting a vibrational heat bath and, finally, it has been verified that the ''fictitious'' pattern of the active mode is included in the pattern of the N-1 modes.

  2. Raman dispersion spectroscopy on the highly saddled nickel(II)-octaethyltetraphenylporphyrin reveals the symmetry of nonplanar distortions and the vibronic coupling strength of normal modes

    International Nuclear Information System (INIS)

    Schweitzer-Stenner, R.; Stichternath, A.; Dreybrodt, W.; Jentzen, W.; Song, X.; Shelnutt, J.A.; Nielsen, O.F.; Medforth, C.J.; Smith, K.M.

    1997-01-01

    We have measured the polarized Raman cross sections and depolarization ratios of 16 fundamental modes of nickel octaethyltetraphenylporphyrin in a CS 2 solution for 16 fundamental modes, i.e., the A 1g -type vibrations ν 1 , ν 2 , ν 3 , ν 4 , ν 5 , and φ 8 , the B 1g vibrations ν 11 and ν 14 , the B 2g vibrations ν 28 , ν 29 , and ν 30 and the antisymmetric A 2g modes ν 19 , ν 20 , ν 22 , and ν 23 as function of the excitation wavelength. The data cover the entire resonant regions of the Q- and B-bands. They were analyzed by use of a theory which describes intra- and intermolecular coupling in terms of a time-independent nonadiabatic perturbation theory [E. Unger, U. Bobinger, W. Dreybrodt, and R. Schweitzer-Stenner, J. Phys. Chem. 97, 9956 (1993)]. This approach explicitly accounts in a self-consistent way for multimode mixing with all Raman modes investigated. The vibronic coupling parameters obtained from this procedure were then used to successfully fit the vibronic side bands of the absorption spectrum and to calculate the resonance excitation profiles in absolute units. Our results show that the porphyrin macrocycle is subject to B 2u -(saddling) and B 1u -(ruffling) distortions which lower its symmetry to S 4 . Thus, evidence is provided that the porphyrin molecule maintains the nonplanar structure of its crystal phase in an organic solvent. The vibronic coupling parameters indicate a breakdown of the four-orbital model. This notion is corroborated by (ZINDO/S) calculations which reveal that significant configurational interaction occurs between the electronic transitions into |Q right-angle- and |1B right-angle-states and various porphyrin→porphyrin, metal→porphyrin, and porphyrin→metal transitions. (Abstract Truncated)

  3. 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)

  4. Vibrational spectra, molecular structure, natural bond orbital, first order hyperpolarizability, thermodynamic analysis and normal coordinate analysis of Salicylaldehyde p-methylphenylthiosemicarbazone by density functional method

    Science.gov (United States)

    Porchelvi, E. Elamurugu; Muthu, S.

    2015-01-01

    The thiosemicarbazone compound, Salicylaldehyde p-methylphenylthiosemicarbazone (abbreviated as SMPTSC) was synthesized and characterized by FTIR, FT-Raman and UV. Density functional (DFT) calculations have been carried out for the title compound by performing DFT level of theory using B3LYP/6-31++G(d,p) basis set. The molecular geometry and vibrational frequencies were calculated and compared with the experimental data. The detailed interpretation of the vibrational spectra has been carried out with aid of normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology. The electronic dipole moment (μD) and the first hyperpolarizability (βtot) values of the investigated molecule were computed using density functional theory (DFT/B3LYP) with 6-311++G(d,p) basis set. The stability and charge delocalization of the molecule was studied by natural bond orbital (NBO) analysis. Thearomaticities of the phenyl rings were studied using the standard harmonic oscillator model of aromaticity (HOMA) index. Mulliken population analysis on atomic charges is also calculated. The molecule orbital contributions are studied by density of energy states (DOSs).

  5. Evaluation of a silicon 5 MHz p–n diode actuator with a laterally vibrating extensional mode

    Science.gov (United States)

    Miyazaki, Fumito; Baba, Kazuki; Tanigawa, Hiroshi; Furutsuka, Takashi; Suzuki, Kenichiro

    2018-05-01

    In this paper, we describe p–n diode actuators that are laterally driven by the force induced in a depletion layer. The previously reported p–n diode actuators have been vertically driven. Because the resonant frequency depends on the thickness of the vibrating plate, the integration of resonators with different frequencies on a chip has been difficult. The resonators in this work are driven laterally by using length-extensional vibration. We have developed a compact model based on an analytical expression, in which p–n diode actuators are driven by the forces induced by the spread of the depletion layer. The deflection generated by the p–n diode actuators was proportional to the ratio of the depletion layer width to the resonator thickness as well as the position of the p–n junction. Good agreement of experimental results with the theory was confirmed by comparing the measured values for silicon p–n diode rectangular-plate actuators fabricated using a silicon-on-insulator (SOI) substrate. The displacement amplitude of the actuators was proportional to the DC bias, while the resonant frequency was independent of the DC bias. The latter characteristic is very different from that of widely used electrostatic actuators. Although the amplitude of the actuator measured in this work was very small, it is expected that the amplitude will increase greatly by increasing the doping of the p–n diode actuators.

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

    Science.gov (United States)

    Kellman, Michael E; Tyng, Vivian

    2007-04-01

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

  7. Lattice dynamics and vibration modes frequencies for substitutional impurities in InP, GaP and ZnS

    International Nuclear Information System (INIS)

    Vandevyver, Michel; Plumelle, Pierre.

    1977-01-01

    The model used is a rigid-ion model with an effective ionic charge including general interactions for nearest and next nearest neighbours and long range Coulomb interactions. It provides a good fit with available neutron data and with infrared absorption results for InP. In this model, no hypothesis is made a priori on the interatomic forces and the eleven parameters given by the model are used. A mathematical model which employs a Green's function technique in the mass defect and the nearest neighbour force constant defect approximation is used to calculate the lattice dynamics of the imperfect crystal. The frequencies of the local modes, the gap modes and the band modes, are given for isolated substitutional impurities. The same calculation is achieved for GaP and ZnS and the results are compared with infrared data [fr

  8. Nanomechanical microcantilever operated in vibration modes with use of RNA aptamer as receptor molecules for label-free detection of HCV helicase.

    Science.gov (United States)

    Hwang, Kyo Seon; Lee, Sang-Myung; Eom, Kilho; Lee, Jeong Hoon; Lee, Yoon-Sik; Park, Jung Ho; Yoon, Dae Sung; Kim, Tae Song

    2007-11-30

    We report the nanomechanical microcantilevers operated in vibration modes (oscillation) with use of RNA aptamers as receptor molecules for label-free detection of hepatitis C virus (HCV) helicase. The nanomechanical detection principle is that the ligand-receptor binding on the microcantilever surface induces the dynamic response change of microcantilevers. We implemented the label-free detection of HCV helicase in the low concentration as much as 100 pg/ml from measuring the dynamic response change of microcantilevers. Moreover, from the recent studies showing that the ligand-receptor binding generates the surface stress on the microcantilever, we estimate the surface stress, on the oscillating microcantilevers, induced by ligand-receptor binding, i.e. binding between HCV helicase and RNA aptamer. In this article, it is suggested that the oscillating microcantilevers with use of RNA aptamers as receptor molecules may enable one to implement the sensitive label-free detection of very small amount of small-scale proteins.

  9. In situ doping of catalyst-free InAs nanowires with Si: Growth, polytypism, and local vibrational modes of Si

    Energy Technology Data Exchange (ETDEWEB)

    Dimakis, Emmanouil; Ramsteiner, Manfred; Huang, Chang-Ning; Trampert, Achim; Riechert, Henning; Geelhaar, Lutz [Paul-Drude-Institut für Festkörperelektronik, Hausvogteiplatz 5-7, 10117 Berlin (Germany); Davydok, Anton; Biermanns, Andreas; Pietsch, Ullrich [Festkörperphysik, Universität Siegen, Walter-Flex-Str. 3, 57072 Siegen (Germany)

    2013-09-30

    Growth and structural aspects of the in situ doping of InAs nanowires with Si have been investigated. The nanowires were grown catalyst-free on Si(111) substrates by molecular beam epitaxy. The supply of Si influenced the growth kinetics, affecting the nanowire dimensions, but not the degree of structural polytypism, which was always pronounced. As determined by Raman spectroscopy, Si was incorporated as substitutional impurity exclusively on In sites, which makes it a donor. Previously unknown Si-related Raman peaks at 355 and 360 cm{sup −1} were identified, based on their symmetry properties in polarization-dependent measurements, as the two local vibrational modes of an isolated Si impurity on In site along and perpendicular, respectively, to the c-axis of the wurtzite InAs crystal.

  10. Numerical Determination of Natural Frequencies and Modes of the Vibrations of a Thick-Walled Cylindrical Shell

    Science.gov (United States)

    Grigorenko, A. Ya.; Borisenko, M. Yu.; Boichuk, E. V.; Prigoda, A. P.

    2018-01-01

    The dynamic characteristics of a thick-walled cylindrical shell are determined numerically using the finite-element method implemented with licensed FEMAR software. The natural frequencies and modes are compared with those obtained earlier experimentally by the method of stroboscopic holographic interferometry. Frequency coefficients demonstrating how the natural frequency depends on the physical and mechanical parameters of the material are determined.

  11. Vibrational transitions in hydrogen bonded bimolecular complexes – A local mode perturbation theory approach to transition frequencies and intensities

    DEFF Research Database (Denmark)

    Mackeprang, Kasper; Kjærgaard, Henrik Grum

    2017-01-01

    The local mode perturbation theory (LMPT) model was developed to improve the description of hydrogen bonded XH-stretching transitions, where X is typically O or N. We present a modified version of the LMPT model to extend its application from hydrated bimolecular complexes to hydrogen bonded...

  12. Simultaneous spectral and temporal analyses of kinetic energies in nonequilibrium systems: theory and application to vibrational relaxation of O-D stretch mode of HOD in water.

    Science.gov (United States)

    Jeon, Jonggu; Lim, Joon Hyung; Kim, Seongheun; Kim, Heejae; Cho, Minhaeng

    2015-05-28

    A time series of kinetic energies (KE) from classical molecular dynamics (MD) simulation contains fundamental information on system dynamics. It can also be analyzed in the frequency domain through Fourier transformation (FT) of velocity correlation functions, providing energy content of different spectral regions. By limiting the FT time span, we have previously shown that spectral resolution of KE evolution is possible in the nonequilibrium situations [Jeon and Cho, J. Chem. Phys. 2011, 135, 214504]. In this paper, we refine the method by employing the concept of instantaneous power spectra, extending it to reflect an instantaneous time-correlation of velocities with those in the future as well as with those in the past, and present a new method to obtain the instantaneous spectral density of KE (iKESD). This approach enables the simultaneous spectral and temporal resolution of KE with unlimited time precision. We discuss the formal and novel properties of the new iKESD approaches and how to optimize computational methods and determine parameters for practical applications. The method is specifically applied to the nonequilibrium MD simulation of vibrational relaxation of the OD stretch mode in a hydrated HOD molecule by employing a hybrid quantum mechanical/molecular mechanical (QM/MM) potential. We directly compare the computational results with the OD band population relaxation time profiles extracted from the IR pump-probe measurements for 5% HOD in water. The calculated iKESD yields the OD bond relaxation time scale ∼30% larger than the experimental value, and this decay is largely frequency-independent if the classical anharmonicity is accounted for. From the integrated iKESD over intra- and intermolecular bands, the major energy transfer pathways were found to involve the HOD bending mode in the subps range, then the internal modes of the solvent until 5 ps after excitation, and eventually the solvent intermolecular modes. Also, strong hydrogen

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

    Energy Technology Data Exchange (ETDEWEB)

    Hanson-Heine, Magnus W. D., E-mail: magnus.hansonheine@nottingham.ac.uk [School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD (United Kingdom)

    2015-10-28

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

  14. Impurity transport model for the normal confinement and high density H-mode discharges in Wendelstein 7-AS

    International Nuclear Information System (INIS)

    Ida, K; Burhenn, R; McCormick, K; Pasch, E; Yamada, H; Yoshinuma, M; Inagaki, S; Murakami, S; Osakabe, M; Liang, Y; Brakel, R; Ehmler, H; Giannone, L; Grigull, P; Knauer, J P; Maassberg, H; Weller, A

    2003-01-01

    An impurity transport model based on diffusivity and the radial convective velocity is proposed as a first approach to explain the differences in the time evolution of Al XII (0.776 nm), Al XI (55 nm) and Al X (33.3 nm) lines following Al-injection by laser blow-off between normal confinement discharges and high density H-mode (HDH) discharges. Both discharge types are in the collisional regime for impurities (central electron temperature is 0.4 keV and central density exceeds 10 20 m -3 ). In this model, the radial convective velocity is assumed to be determined by the radial electric field, as derived from the pressure gradient. The diffusivity coefficient is chosen to be constant in the plasma core but is significantly larger in the edge region, where it counteracts the high local values of the inward convective velocity. Under these conditions, the faster decay of aluminium in HDH discharges can be explained by the smaller negative electric field in the bulk plasma, and correspondingly smaller inward convective velocity, due to flattening of the density profiles

  15. Self-reported cold sensitivity in normal subjects and in patients with traumatic hand injuries or hand-arm vibration syndrome

    Directory of Open Access Journals (Sweden)

    Dahlin Lars B

    2010-05-01

    Full Text Available Abstract Background Cold sensitivity is a common and disabling complaint following hand injuries. The main purpose of this study was to describe self-reported consequences of cold sensitivity and the association with disability and health-related quality of life in patients with hand injuries or hand-arm vibration syndrome (HAVS and in normal subjects. Methods Responses to the Cold Intolerance Symptom Severity (CISS questionnaire, Potential Work Exposure Scale (PWES, Disability of the Arm, Shoulder and Hand (DASH and Short-Form 36 questionnaire (SF-36 were investigated in normal subjects (n = 94, hand injured patients (amputation and nerve injuries, n = 88 and patients with HAVS (n = 30. The results are presented as median (range, percent and mean deviation from norms. The Kruskal Wallis Test or Mann-Whitney U-Test were used to identify significant differences between multiple groups or subgroups. The Spearman rank correlation was used to study the relationship between cold sensitivity and disability. Results Abnormal cold sensitivity (CISS score > 50 was seen in 75% and 45% of patients with HAVS and a traumatic hand injury, respectively. Patients were significantly more exposed to cold in their work environment than the normal population, with a consequently negative effect on work ability due to cold sensitivity. Patients with abnormal cold sensitivity were more seriously disabled and had a poorer health-related quality of life than patients with normal cold sensitivity [higher DASH scores and e.g. significantly larger mean deviation from norms in the subscales Role Physical and Bodily Pain (SF-36]. Conclusion Severe and abnormal cold sensitivity may have a profound impact on work capacity, leisure, disability and health-related quality of life. It is frequently seen in patients with traumatic hand injuries and particularly apparent in patients with HAVS.

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

    International Nuclear Information System (INIS)

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

    2006-01-01

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

  17. Multiscale virtual particle based elastic network model (MVP-ENM) for normal mode analysis of large-sized biomolecules.

    Science.gov (United States)

    Xia, Kelin

    2017-12-20

    In this paper, a multiscale virtual particle based elastic network model (MVP-ENM) is proposed for the normal mode analysis of large-sized biomolecules. The multiscale virtual particle (MVP) model is proposed for the discretization of biomolecular density data. With this model, large-sized biomolecular structures can be coarse-grained into virtual particles such that a balance between model accuracy and computational cost can be achieved. An elastic network is constructed by assuming "connections" between virtual particles. The connection is described by a special harmonic potential function, which considers the influence from both the mass distributions and distance relations of the virtual particles. Two independent models, i.e., the multiscale virtual particle based Gaussian network model (MVP-GNM) and the multiscale virtual particle based anisotropic network model (MVP-ANM), are proposed. It has been found that in the Debye-Waller factor (B-factor) prediction, the results from our MVP-GNM with a high resolution are as good as the ones from GNM. Even with low resolutions, our MVP-GNM can still capture the global behavior of the B-factor very well with mismatches predominantly from the regions with large B-factor values. Further, it has been demonstrated that the low-frequency eigenmodes from our MVP-ANM are highly consistent with the ones from ANM even with very low resolutions and a coarse grid. Finally, the great advantage of MVP-ANM model for large-sized biomolecules has been demonstrated by using two poliovirus virus structures. The paper ends with a conclusion.

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

    International Nuclear Information System (INIS)

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

    2007-01-01

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

  19. Soliton rains in a graphene-oxide passively mode-locked ytterbium-doped fiber laser with all-normal dispersion

    International Nuclear Information System (INIS)

    Huang, S S; Yan, P G; Zhang, G L; Zhao, J Q; Li, H Q; Lin, R Y; Wang, Y G

    2014-01-01

    We experimentally investigated soliton rains in an ytterbium-doped fiber (YDF) laser with a net normal dispersion cavity using a graphene-oxide (GO) saturable absorber (SA). The 195 m-long-cavity, the fiber birefringence filter and the inserted 2.5 nm narrow bandwidth filter play important roles in the formation of the soliton rains. The soliton rain states can be changed by the effective gain bandwidth of the laser. The experimental results can be conducive to an understanding of dissipative soliton features and mode-locking dynamics in all-normal dispersion fiber lasers with GOSAs. To the best of our knowledge, this is the first demonstration of soliton rains in a GOSA passively mode-locked YDF laser with a net normal dispersion cavity. (letter)

  20. Lattice vibration spectra. 16

    International Nuclear Information System (INIS)

    Lutz, H.D.; Willich, P.

    1977-01-01

    The FIR absorption spectra of pyrite type compounds RuS 2 , RuSsub(2-x)Sesub(x), RuSe 2 , RuTe 2 , OsS 2 , OsSe 2 , and PtP 2 as well as loellingite type phosphides FeP 2 , RuP 2 , and OsP 2 are reported. For RuS 2 , RuSe 2 , RuTe 2 , OsS 2 , and PtP 2 all of the five infrared allowed modes (k = 0) are observed. As a first result of a numerical normal coordinate treatment vibration forms of pyrite structure are communicated. The spectra show that lattice forces of corresponding sulfides, tellurides, and phosphides are about the same strength, but increase strongly by substitution of iron by ruthenium and especially of ruthenium by osmium. The lattice constants of the RuSsub(2-x)Sesub(x) solid solution obey Vegard's rule. (author)

  1. Analysis of Within-Test Variability of Non-Destructive Test Methods to Evaluate Compressive Strength of Normal Vibrated and Self-Compacting Concretes

    Science.gov (United States)

    Nepomuceno, Miguel C. S.; Lopes, Sérgio M. R.

    2017-10-01

    Non-destructive tests (NDT) have been used in the last decades for the assessment of in-situ quality and integrity of concrete elements. An important step in the application of NDT methods concerns to the interpretation and validation of the test results. In general, interpretation of NDT results should involve three distinct phases leading to the development of conclusions: processing of collected data, analysis of within-test variability and quantitative evaluation of property under investigation. The analysis of within-test variability can provide valuable information, since this can be compared with that of within-test variability associated with the NDT method in use, either to provide a measure of the quality control or to detect the presence of abnormal circumstances during the in-situ application. This paper reports the analysis of the experimental results of within-test variability of NDT obtained for normal vibrated concrete and self-compacting concrete. The NDT reported includes the surface hardness test, ultrasonic pulse velocity test, penetration resistance test, pull-off test, pull-out test and maturity test. The obtained results are discussed and conclusions are presented.

  2. Vibrational spectroscopic investigation and normal coordinate analysis of the fibrate hypolipidemic agent 5-(2,5-dimethylphenoxy)-2,2-dimethyl pentanoic acid (Gemfibrozil)

    Science.gov (United States)

    Priya, M. Siva; Benitta, T. Asenath; James, C.

    2011-03-01

    Colorless crystals of 5-(2,5-dimethylphenoxy)-2,2-dimethyl pentanoic acid were grown by slow evaporation method and the FT-IR and FT-Raman spectra of the sample were recorded in the region 4000-450 cm -1 and 4000-50 cm -1 respectively. Molecular structure is optimized with the help of B3LYP/6-31G (d) density functional theory method. Stability of the molecule arising from hyperconjugation and charge delocalization is confirmed by the natural bond orbital analysis (NBO). The results show that electron density (ED) in the σ ∗ antibonding orbitals and E (2) energies confirms the occurrence of intra-molecular charge transfer (ICT) within the molecule. The assignments of the vibrational spectra have been carried out with the help of Normal coordinate analysis following the scaled quantum mechanical force field (SQMFF) methodology. Mulliken population analysis on atomic charges is also calculated. The calculated HOMO and LUMO energy gap shows that charge transfer occurs within the molecule.

  3. Age- and gender-related difference of vocal fold vibration and glottal configuration in normal speakers: analysis with glottal area waveform.

    Science.gov (United States)

    Yamauchi, Akihito; Yokonishi, Hisayuki; Imagawa, Hiroshi; Sakakibara, Ken-Ichi; Nito, Takaharu; Tayama, Niro; Yamasoba, Tatsuya

    2014-09-01

    Glottal area waveform (GAW) analysis is widely used in the assessment of vocal fold vibration by high-speed digital imaging (HSDI). Because normative GAW data obtained from a large number of subjects have not been reported, we conducted a prospective study to obtain normative results for GAW analysis of HSDI findings and clarify normal variations associated with gender and age. Vocally healthy adults were divided into a young group (aged ≤ 35 years) and an elderly group (aged ≥ 65 years). The configuration and size of the glottal area were assessed at different phases of the glottal cycle, and gender- and age-related differences were evaluated. A total of 26 young subjects (nine men and 17 women; mean age: 27 years) and 20 elderly subjects (eight men and 12 women; mean age: 73 years) were investigated. The glottal area at different points of the glottal cycle showed a negative correlation with frequency. Although the GAW parameters of young women appeared to be different from those of the other subgroups, the differences were not statistically significant. Young women predominantly had a triangular- or vase-shaped glottal configuration at all frequencies, whereas the other subgroups showed various glottal shapes. The present study clarified gender- and age-related differences of GAW parameters obtained with HSDI. Young women were likely to show different glottal configurations and different responses to frequency changes from those of young men, elderly men, and elderly women. Phonosurgeons should pay attention to the normal variations detected in the present study. Copyright © 2014 The Voice Foundation. Published by Elsevier Inc. All rights reserved.

  4. Analyzing the Effect of Capillary Force on Vibrational Performance of the Cantilever of an Atomic Force Microscope in Tapping Mode with Double Piezoelectric Layers in an Air Environment.

    Science.gov (United States)

    Nahavandi, Amir; Korayem, Moharam Habibnejad

    2015-10-01

    The aim of this paper is to determine the effects of forces exerted on the cantilever probe tip of an atomic force microscope (AFM). These forces vary according to the separation distance between the probe tip and the surface of the sample being examined. Hence, at a distance away from the surface (farther than d(on)), these forces have an attractive nature and are of Van der Waals type, and when the probe tip is situated in the range of a₀≤ d(ts) ≤ d(on), the capillary force is added to the Van der Waals force. At a distance of d(ts) ≤ a₀, the Van der Waals and capillary forces remain constant at intermolecular distances, and the contact repulsive force repels the probe tip from the surface of sample. The capillary force emerges due to the contact of thin water films with a thickness of h(c) which have accumulated on the sample and probe. Under environmental conditions a layer of water or hydrocarbon often forms between the probe tip and sample. The capillary meniscus can grow until the rate of evaporation equals the rate of condensation. For each of the above forces, different models are presented. The smoothness or roughness of the surfaces and the geometry of the cantilever tip have a significant effect on the modeling of forces applied on the probe tip. Van der Waals and the repulsive forces are considered to be the same in all the simulations, and only the capillary force is altered in order to evaluate the role of this force in the AFM-based modeling. Therefore, in view of the remarkable advantages of the piezoelectric microcantilever and also the extensive applications of the tapping mode, we investigate vibrational motion of the piezoelectric microcantilever in the tapping mode. The cantilever mentioned is entirely covered by two piezoelectric layers that carry out both the actuation of the probe tip and the measuringof its position.

  5. Vibrational characteristics and wear of fuel rods

    International Nuclear Information System (INIS)

    Schmugar, K.L.

    1977-01-01

    Fuel rod wear, due to vibration, is a continuing concern in the design of liquid-cooled reactors. In my report, the methodology and models that are used to predict fuel rod vibrational response and vibratory wear, in a light water reactor environment, are discussed. This methodology is being followed at present in the design of Westinghouse Nuclear Fuel. Fuel rod vibrations are expressed as the normal bending modes, and sources of rod vibration are examined with special emphasis on flow-induced mechanisms in the stable flow region. In a typical Westinghouse PWR fuel assembly design, each fuel rod is supported at multiple locations along the rod axis by a square-shaped 'grid cell'. For a fuel rod /grid support system, the development of small oscillatory motions, due to fluid flow at the rod/grid interface, results in material wear. A theoretical wear mode is developed using the Archard Theory of Adhesive Wear as the basis. Without question certainty, fretting wear becomes a serious problem if it progresses to the stage where the fuel cladding is penetrated and fuel is exposed to the coolant. Westinghouse fuel is designed to minimize fretting wear by limiting the relative motion between the fuel rod and its supports. The wear producing motion between the fuel rod and its supports occurs when the vibration amplitude exceeds the slippage threshold amplitude

  6. Normal-Mode Analysis of Circular DNA at the Base-Pair Level. 2. Large-Scale Configurational Transformation of a Naturally Curved Molecule.

    Science.gov (United States)

    Matsumoto, Atsushi; Tobias, Irwin; Olson, Wilma K

    2005-01-01

    Fine structural and energetic details embedded in the DNA base sequence, such as intrinsic curvature, are important to the packaging and processing of the genetic material. Here we investigate the internal dynamics of a 200 bp closed circular molecule with natural curvature using a newly developed normal-mode treatment of DNA in terms of neighboring base-pair "step" parameters. The intrinsic curvature of the DNA is described by a 10 bp repeating pattern of bending distortions at successive base-pair steps. We vary the degree of intrinsic curvature and the superhelical stress on the molecule and consider the normal-mode fluctuations of both the circle and the stable figure-8 configuration under conditions where the energies of the two states are similar. To extract the properties due solely to curvature, we ignore other important features of the double helix, such as the extensibility of the chain, the anisotropy of local bending, and the coupling of step parameters. We compare the computed normal modes of the curved DNA model with the corresponding dynamical features of a covalently closed duplex of the same chain length constructed from naturally straight DNA and with the theoretically predicted dynamical properties of a naturally circular, inextensible elastic rod, i.e., an O-ring. The cyclic molecules with intrinsic curvature are found to be more deformable under superhelical stress than rings formed from naturally straight DNA. As superhelical stress is accumulated in the DNA, the frequency, i.e., energy, of the dominant bending mode decreases in value, and if the imposed stress is sufficiently large, a global configurational rearrangement of the circle to the figure-8 form takes place. We combine energy minimization with normal-mode calculations of the two states to decipher the configurational pathway between the two states. We also describe and make use of a general analytical treatment of the thermal fluctuations of an elastic rod to characterize the

  7. 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.

  8. Whole-body vibration as a mode of dyspnoea free physical activity: a community-based proof-of-concept trial.

    Science.gov (United States)

    Furness, Trentham; Joseph, Corey; Welsh, Liam; Naughton, Geraldine; Lorenzen, Christian

    2013-11-11

    The potential of whole-body vibration (WBV) as a mode of dyspnoea free physical activity for people with chronic obstructive pulmonary disease (COPD) is unknown among community-based settings. Furthermore, the acute effects of WBV on people with COPD have not been profiled in community-based settings. The aim of this community-based proof-of-concept trial was to describe acute effects of WBV by profiling subjective and objective responses to physical activity. Seventeen community-dwelling older adults with COPD were recruited to participate in two sessions; WBV and sham WBV (SWBV). Each session consisted of five one-minute bouts interspersed with five one-minute passive rest periods. The gravitational force was ~2.5 g for WBV and ~0.0 g for SWBV. Reliability of baseline dyspnoea, heart rate, and oxygen saturation was first established and then profiled for both sessions. Acute responses to both WBV and SWBV were compared with repeated measures analysis of variance and repeated contrasts. Small changes in dyspnoea and oxygen saturation lacked subjective and clinical meaningfulness. One session of WBV and SWBV significantly increased heart rate (p ≤ 0.02), although there was no difference among WBV and SWBV (p = 0.67). This community-based proof-of-concept trial showed that a session of WBV can be completed with the absence of dyspnoea for people with COPD. Furthermore, there were no meaningful differences among WBV and SWBV for heart rate and oxygen saturation. There is scope for long-term community-based intervention research using WBV given the known effects of WBV on peripheral muscle function and functional independence.

  9. Vibrational spectra and crystal lattice dynamics of hexahydrates of zinc potassium and ammonium sulfates

    Science.gov (United States)

    Barashkov, M. V.; Komyak, A. I.; Shashkov, S. N.

    2000-03-01

    The IR spectra and polarized Raman spectra of crystals of hexahydrates of zinc potassium and ammonium sulfates have been obtained experimentally at 93 K and at room temperature. The frequencies and modes of normal vibrations of the octahedral complex [Zn(H2O)6]2+ have been calculated. The assignment of the observed lines of the internal and external vibrations of the crystal cell has been made by calculations and by factor-group analysis.

  10. Impact self-excited vibrations of linear motor

    Science.gov (United States)

    Zhuravlev, V. Ph.

    2010-08-01

    Impact self-exciting vibration modes in a linear motor of a monorail car are studied. Existence and stability conditions of self-exciting vibrations are found. Ways of avoiding the vibrations are discussed.

  11. Vibrational modes of porous silicon

    International Nuclear Information System (INIS)

    Sabra, M.; Naddaf, M.

    2012-01-01

    On the basis of theoretical and experimental investigations, the origin of room temperature photoluminescence (PL) from porous silicon is found to related to chemical complexes constituted the surface, in particular, SiHx, SiOx and SiOH groups. Ab initio atomic and molecular electronic structure calculations on select siloxane compounds were used for imitation of infrared (IR) spectra of porous silicon. These are compared to the IR spectra of porous silicon recorded by using Fourier Transform Infrared Spectroscopy (FTIR). In contrast to linear siloxane, the suggested circular siloxane terminated with linear siloxane structure is found to well-imitate the experimental spectra. These results are augmented with EDX (energy dispersive x-ray spectroscopy) measurements, which showed that the increase of SiOx content in porous silicon due to rapid oxidation process results in considerable decrease in PL peak intensity and a blue shift in the peak position. (author)

  12. Interactions of the Salience Network and Its Subsystems with the Default-Mode and the Central-Executive Networks in Normal Aging and Mild Cognitive Impairment.

    Science.gov (United States)

    Chand, Ganesh B; Wu, Junjie; Hajjar, Ihab; Qiu, Deqiang

    2017-09-01

    Previous functional magnetic resonance imaging (fMRI) investigations suggest that the intrinsically organized large-scale networks and the interaction between them might be crucial for cognitive activities. A triple network model, which consists of the default-mode network, salience network, and central-executive network, has been recently used to understand the connectivity patterns of the cognitively normal brains versus the brains with disorders. This model suggests that the salience network dynamically controls the default-mode and central-executive networks in healthy young individuals. However, the patterns of interactions have remained largely unknown in healthy aging or those with cognitive decline. In this study, we assess the patterns of interactions between the three networks using dynamical causal modeling in resting state fMRI data and compare them between subjects with normal cognition and mild cognitive impairment (MCI). In healthy elderly subjects, our analysis showed that the salience network, especially its dorsal subnetwork, modulates the interaction between the default-mode network and the central-executive network (Mann-Whitney U test; p control correlated significantly with lower overall cognitive performance measured by Montreal Cognitive Assessment (r = 0.295; p control, especially the dorsal salience network, over other networks provides a neuronal basis for cognitive decline and may be a candidate neuroimaging biomarker of cognitive impairment.

  13. Vibration insensitive interferometry

    Science.gov (United States)

    Millerd, James; Brock, Neal; Hayes, John; Kimbrough, Brad; North-Morris, Michael; Wyant, James C.

    2017-11-01

    The largest limitation of phase-shifting interferometry for optical testing is the sensitivity to the environment, both vibration and air turbulence. An interferometer using temporal phase-shifting is very sensitive to vibration because the various phase shifted frames of interferometric data are taken at different times and vibration causes the phase shifts between the data frames to be different from what is desired. Vibration effects can be reduced by taking all the phase shifted frames simultaneously and turbulence effects can be reduced by averaging many measurements. There are several techniques for simultaneously obtaining several phase-shifted interferograms and this paper will discuss two such techniques: 1) Simultaneous phase-shifting interferometry on a single detector array (PhaseCam) and 2) Micropolarizer phase-shifting array. The application of these techniques for the testing of large optical components, measurement of vibrational modes, the phasing of segmented optical components, and the measurement of deformations of large diffuse structures is described.

  14. Vibrations of rotating machinery

    CERN Document Server

    Matsushita, Osami; Kanki, Hiroshi; Kobayashi, Masao; Keogh, Patrick

    2017-01-01

    This book opens with an explanation of the vibrations of a single degree-of-freedom (dof) system for all beginners. Subsequently, vibration analysis of multi-dof systems is explained by modal analysis. Mode synthesis modeling is then introduced for system reduction, which aids understanding in a simplified manner of how complicated rotors behave. Rotor balancing techniques are offered for rigid and flexible rotors through several examples. Consideration of gyroscopic influences on the rotordynamics is then provided and vibration evaluation of a rotor-bearing system is emphasized in terms of forward and backward whirl rotor motions through eigenvalue (natural frequency and damping ratio) analysis. In addition to these rotordynamics concerning rotating shaft vibration measured in a stationary reference frame, blade vibrations are analyzed with Coriolis forces expressed in a rotating reference frame. Other phenomena that may be assessed in stationary and rotating reference frames include stability characteristic...

  15. Structural Stability and Vibration

    DEFF Research Database (Denmark)

    Wiggers, Sine Leergaard; Pedersen, Pauli

    This book offers an integrated introduction to the topic of stability and vibration. Strikingly, it describes stability as a function of boundary conditions and eigenfrequency as a function of both boundary conditions and column force. Based on a post graduate course held by the author at the Uni...... and their derivation, thus stimulating them to write interactive and dynamic programs to analyze instability and vibrational modes....

  16. System Detects Vibrational Instabilities

    Science.gov (United States)

    Bozeman, Richard J., Jr.

    1990-01-01

    Sustained vibrations at two critical frequencies trigger diagnostic response or shutdown. Vibration-analyzing electronic system detects instabilities of combustion in rocket engine. Controls pulse-mode firing of engine and identifies vibrations above threshold amplitude at 5.9 and/or 12kHz. Adapted to other detection and/or control schemes involving simultaneous real-time detection of signals above or below preset amplitudes at two or more specified frequencies. Potential applications include rotating machinery and encoders and decoders in security systems.

  17. Stress-anneal-induced magnetic anisotropy in highly textured Fe-Ga and Fe-Al magnetostrictive strips for bending-mode vibrational energy harvesters

    Directory of Open Access Journals (Sweden)

    Jung Jin Park

    2016-05-01

    Full Text Available Magnetostrictive Fe-Ga and Fe-Al alloys are promising materials for use in bending-mode vibrational energy harvesters. For this study, 50.8 mm × 5.0 mm × 0.5 mm strips of Fe-Ga and Fe-Al were cut from 0.50-mm thick rolled sheet. An atmospheric anneal was used to develop a Goss texture through an abnormal grain growth process. The anneal lead to large (011 grains that covered over 90% of sample surface area. The resulting highly-textured Fe-Ga and Fe-Al strips exhibited saturation magnetostriction values (λsat =  λ∥ − λ⊥ of ∼280 ppm and ∼130 ppm, respectively. To maximize 90° rotation of magnetic moments during bending of the strips, we employed compressive stress annealing (SA. Samples were heated to 500°C, and a 100-150 MPa compressive stress was applied while at 500°C for 30 minutes and while being cooled. The effectiveness of the SA on magnetic moment rotation was inferred by comparing post-SA magnetostriction with the maximum possible yield of rotated magnetic moments, which is achieved when λ∥ = λsat and λ⊥ = 0. The uniformity of the SA along the sample length and the impact of the SA on sensing/energy harvesting performance were then assessed by comparing pre- and post-SA bending-stress-induced changes in magnetization at five different locations along the samples. The SA process with a 150 MPa compressive load improved Fe-Ga actuation along the sample length from 170 to 225 ppm (from ∼60% to within ∼80% of λsat. The corresponding sensing/energy harvesting performance improved by as much as a factor of eight in the best sample, however the improvement was not at all uniform along the sample length. The SA process with a 100 MPa compressive load improved Fe-Al actuation along the sample length from 60 to 73 ppm (from ∼46% to ∼56% of λsat, indicating only a marginally effective SA and suggesting the need for modification of the SA protocol. In spite of this, the SA was effective at improving the sensing

  18. Stress-anneal-induced magnetic anisotropy in highly textured Fe-Ga and Fe-Al magnetostrictive strips for bending-mode vibrational energy harvesters

    Science.gov (United States)

    Park, Jung Jin; Na, Suok-Min; Raghunath, Ganesh; Flatau, Alison B.

    2016-05-01

    Magnetostrictive Fe-Ga and Fe-Al alloys are promising materials for use in bending-mode vibrational energy harvesters. For this study, 50.8 mm × 5.0 mm × 0.5 mm strips of Fe-Ga and Fe-Al were cut from 0.50-mm thick rolled sheet. An atmospheric anneal was used to develop a Goss texture through an abnormal grain growth process. The anneal lead to large (011) grains that covered over 90% of sample surface area. The resulting highly-textured Fe-Ga and Fe-Al strips exhibited saturation magnetostriction values (λsat = λ∥ - λ⊥) of ˜280 ppm and ˜130 ppm, respectively. To maximize 90° rotation of magnetic moments during bending of the strips, we employed compressive stress annealing (SA). Samples were heated to 500°C, and a 100-150 MPa compressive stress was applied while at 500°C for 30 minutes and while being cooled. The effectiveness of the SA on magnetic moment rotation was inferred by comparing post-SA magnetostriction with the maximum possible yield of rotated magnetic moments, which is achieved when λ∥ = λsat and λ⊥ = 0. The uniformity of the SA along the sample length and the impact of the SA on sensing/energy harvesting performance were then assessed by comparing pre- and post-SA bending-stress-induced changes in magnetization at five different locations along the samples. The SA process with a 150 MPa compressive load improved Fe-Ga actuation along the sample length from 170 to 225 ppm (from ˜60% to within ˜80% of λsat). The corresponding sensing/energy harvesting performance improved by as much as a factor of eight in the best sample, however the improvement was not at all uniform along the sample length. The SA process with a 100 MPa compressive load improved Fe-Al actuation along the sample length from 60 to 73 ppm (from ˜46% to ˜56% of λsat, indicating only a marginally effective SA and suggesting the need for modification of the SA protocol. In spite of this, the SA was effective at improving the sensing/energy harvesting

  19. Implausibility of the vibrational theory of olfaction.

    Science.gov (United States)

    Block, Eric; Jang, Seogjoo; Matsunami, Hiroaki; Sekharan, Sivakumar; Dethier, Bérénice; Ertem, Mehmed Z; Gundala, Sivaji; Pan, Yi; Li, Shengju; Li, Zhen; Lodge, Stephene N; Ozbil, Mehmet; Jiang, Huihong; Penalba, Sonia F; Batista, Victor S; Zhuang, Hanyi

    2015-05-26

    The vibrational theory of olfaction assumes that electron transfer occurs across odorants at the active sites of odorant receptors (ORs), serving as a sensitive measure of odorant vibrational frequencies, ultimately leading to olfactory perception. A previous study reported that human subjects differentiated hydrogen/deuterium isotopomers (isomers with isotopic atoms) of the musk compound cyclopentadecanone as evidence supporting the theory. Here, we find no evidence for such differentiation at the molecular level. In fact, we find that the human musk-recognizing receptor, OR5AN1, identified using a heterologous OR expression system and robustly responding to cyclopentadecanone and muscone, fails to distinguish isotopomers of these compounds in vitro. Furthermore, the mouse (methylthio)methanethiol-recognizing receptor, MOR244-3, as well as other selected human and mouse ORs, responded similarly to normal, deuterated, and (13)C isotopomers of their respective ligands, paralleling our results with the musk receptor OR5AN1. These findings suggest that the proposed vibration theory does not apply to the human musk receptor OR5AN1, mouse thiol receptor MOR244-3, or other ORs examined. Also, contrary to the vibration theory predictions, muscone-d30 lacks the 1,380- to 1,550-cm(-1) IR bands claimed to be essential for musk odor. Furthermore, our theoretical analysis shows that the proposed electron transfer mechanism of the vibrational frequencies of odorants could be easily suppressed by quantum effects of nonodorant molecular vibrational modes. These and other concerns about electron transfer at ORs, together with our extensive experimental data, argue against the plausibility of the vibration theory.

  20. Laser-Doppler vibrating tube densimeter for measurements at high temperatures and pressures

    International Nuclear Information System (INIS)

    Aida, Tsutomu; Yamazaki, Ai; Akutsu, Makoto; Ono, Takumi; Kanno, Akihiro; Hoshina, Taka-aki; Ota, Masaki; Watanabe, Masaru; Sato, Yoshiyuki; Smith, Richard L. Jr.; Inomata, Hiroshi

    2007-01-01

    A laser-Doppler vibrometer was used to measure the vibration of a vibrating tube densimeter for measuring P-V-T data at high temperatures and pressures. The apparatus developed allowed the control of the residence time of the sample so that decomposition at high temperatures could be minimized. A function generator and piezoelectric crystal was used to excite the U-shaped tube in one of its normal modes of vibration. Densities of methanol-water mixtures are reported for at 673 K and 40 MPa with an uncertainty of 0.009 g/cm 3

  1. Vibronic-structure tracking: A shortcut for vibrationally resolved UV/Vis-spectra calculations

    Energy Technology Data Exchange (ETDEWEB)

    Barton, Dennis; König, Carolin; Neugebauer, Johannes, E-mail: j.neugebauer@uni-muenster.de [Theoretische Organische Chemie, Organisch-Chemisches Institut and Center for Multiscale Theory and Computation, Westfälische Wilhelms-Universität Münster, Corrensstraße 40, 48149 Münster (Germany)

    2014-10-28

    The vibrational coarse structure and the band shapes of electronic absorption spectra are often dominated by just a few molecular vibrations. By contrast, the simulation of the vibronic structure even in the simplest theoretical models usually requires the calculation of the entire set of normal modes of vibration. Here, we exploit the idea of the mode-tracking protocol [M. Reiher and J. Neugebauer, J. Chem. Phys. 118, 1634 (2003)] in order to directly target and selectively calculate those normal modes which have the largest effect on the vibronic band shape for a certain electronic excitation. This is achieved by defining a criterion for the importance of a normal mode to the vibrational progressions in the absorption band within the so-called “independent mode, displaced harmonic oscillator” (IMDHO) model. We use this approach for a vibronic-structure investigation for several small test molecules as well as for a comparison of the vibronic absorption spectra of a truncated chlorophyll a model and the full chlorophyll a molecule. We show that the method allows to go beyond the often-used strategy to simulate absorption spectra based on broadened vertical excitation peaks with just a minimum of computational effort, which in case of chlorophyll a corresponds to about 10% of the cost for a full simulation within the IMDHO approach.

  2. Semi-analytical quasi-normal mode theory for the local density of states in coupled photonic crystal cavity-waveguide structures

    DEFF Research Database (Denmark)

    de Lasson, Jakob Rosenkrantz; Kristensen, Philip Trøst; Mørk, Jesper

    2015-01-01

    We present and validate a semi-analytical quasi-normal mode (QNM) theory for the local density of states (LDOS) in coupled photonic crystal (PhC) cavity-waveguide structures. By means of an expansion of the Green's function on one or a few QNMs, a closed-form expression for the LDOS is obtained, ......-trivial spectrum with a peak and a dip is found, which is reproduced only when including both the two relevant QNMs in the theory. In both cases, we find relative errors below 1% in the bandwidth of interest.......We present and validate a semi-analytical quasi-normal mode (QNM) theory for the local density of states (LDOS) in coupled photonic crystal (PhC) cavity-waveguide structures. By means of an expansion of the Green's function on one or a few QNMs, a closed-form expression for the LDOS is obtained......, and for two types of two-dimensional PhCs, with one and two cavities side-coupled to an extended waveguide, the theory is validated against numerically exact computations. For the single cavity, a slightly asymmetric spectrum is found, which the QNM theory reproduces, and for two cavities a non...

  3. Dynamical response of the Galileo Galilei on the ground rotor to test the equivalence principle: Theory, simulation, and experiment. I. The normal modes

    International Nuclear Information System (INIS)

    Comandi, G.L.; Chiofalo, M.L.; Toncelli, R.; Bramanti, D.; Polacco, E.; Nobili, A.M.

    2006-01-01

    Recent theoretical work suggests that violation of the equivalence principle might be revealed in a measurement of the fractional differential acceleration η between two test bodies-of different compositions, falling in the gravitational field of a source mass--if the measurement is made to the level of η≅10 -13 or better. This being within the reach of ground based experiments gives them a new impetus. However, while slowly rotating torsion balances in ground laboratories are close to reaching this level, only an experiment performed in a low orbit around the Earth is likely to provide a much better accuracy. We report on the progress made with the 'Galileo Galilei on the ground' (GGG) experiment, which aims to compete with torsion balances using an instrument design also capable of being converted into a much higher sensitivity space test. In the present and following articles (Part I and Part II), we demonstrate that the dynamical response of the GGG differential accelerometer set into supercritical rotation-in particular, its normal modes (Part I) and rejection of common mode effects (Part II)-can be predicted by means of a simple but effective model that embodies all the relevant physics. Analytical solutions are obtained under special limits, which provide the theoretical understanding. A simulation environment is set up, obtaining a quantitative agreement with the available experimental data on the frequencies of the normal modes and on the whirling behavior. This is a needed and reliable tool for controlling and separating perturbative effects from the expected signal, as well as for planning the optimization of the apparatus

  4. Analisi delle vibrazioni su trattori agricoli in normali condizioni di lavoro e in condizioni predefinite - Vibration analysis on agricultural tractors in normal working conditions and in predetermined conditions

    Directory of Open Access Journals (Sweden)

    Alessandro Peretti

    2015-10-01

    Full Text Available Commentata la diffusione dei trattori agricoli in Italia e svolta una rassegna degli effetti delle vibrazioni sui trattoristi, sono riportati i valori delle accelerazioni riscontrati nel nostro Paese, nonché i livelli di esposizione degli operatori. Individuati i parametri che determinano le vibrazioni, sono illustrati gli interventi in grado di contenerle. Sono inoltre riportati i risultati di una ricerca su tre trattori agricoli: i rilievi delle vibrazioni triassiali sul piano e sul basamento del sedile e le misure del rumore in prossimità di ambedue gli orecchi dell’operatore sono stati eseguiti durante l’aratura, l’erpicatura e la traslazione su strada sterrata e asfaltata, a diverse velocità di avanzamento e a differenti valori di pressione di gonfiaggio degli pneumatici. ------ After the assessment of the agricultural tractors fleet characteristics in Italy and a review of the effects of vibration on tractor drivers, the typical acceleration values and consequent operators’ exposure levels in carrying out agricultural operations are reported. Once having ascertained the parameters that produce the vibrations, the actions more suitable to reduce the risk factors are shown. The results of a series of comparative tests on three used tractors of different age are then reported: the levels of tri-axial vibrations on the seat cushion and base and of the noise at both operator’s ears were recorded during ploughing, harrowing and driving on farm and paved roads, at different speeds and varying the tyres inflation pressure.

  5. An anisotropic shear velocity model of the Earth's mantle using normal modes, body waves, surface waves and long-period waveforms

    Science.gov (United States)

    Moulik, P.; Ekström, G.

    2014-12-01

    We use normal-mode splitting functions in addition to surface wave phase anomalies, body wave traveltimes and long-period waveforms to construct a 3-D model of anisotropic shear wave velocity in the Earth's mantle. Our modelling approach inverts for mantle velocity and anisotropy as well as transition-zone discontinuity topographies, and incorporates new crustal corrections for the splitting functions that are consistent with the non-linear corrections we employ for the waveforms. Our preferred anisotropic model, S362ANI+M, is an update to the earlier model S362ANI, which did not include normal-mode splitting functions in its derivation. The new model has stronger isotropic velocity anomalies in the transition zone and slightly smaller anomalies in the lowermost mantle, as compared with S362ANI. The differences in the mid- to lowermost mantle are primarily restricted to features in the Southern Hemisphere. We compare the isotropic part of S362ANI+M with other recent global tomographic models and show that the level of agreement is higher now than in the earlier generation of models, especially in the transition zone and the lower mantle. The anisotropic part of S362ANI+M is restricted to the upper 300 km in the mantle and is similar to S362ANI. When radial anisotropy is allowed throughout the mantle, large-scale anisotropic patterns are observed in the lowermost mantle with vSV > vSH beneath Africa and South Pacific and vSH > vSV beneath several circum-Pacific regions. The transition zone exhibits localized anisotropic anomalies of ˜3 per cent vSH > vSV beneath North America and the Northwest Pacific and ˜2 per cent vSV > vSH beneath South America. However, small improvements in fits to the data on adding anisotropy at depth leave the question open on whether large-scale radial anisotropy is required in the transition zone and in the lower mantle. We demonstrate the potential of mode-splitting data in reducing the trade-offs between isotropic velocity and

  6. Structural Stability and Vibration

    DEFF Research Database (Denmark)

    Wiggers, Sine Leergaard; Pedersen, Pauli

    at the University of Southern Denmark, it reports on fundamental formulas and makes uses of graphical representation to promote understanding. Thanks to the emphasis put on analytical methods and numerical results, the book is meant to make students and engineers familiar with all fundamental equations...... and their derivation, thus stimulating them to write interactive and dynamic programs to analyze instability and vibrational modes....

  7. Vibrational spectral investigation on xanthine and its derivatives—theophylline, caffeine and theobromine

    Science.gov (United States)

    Gunasekaran, S.; Sankari, G.; Ponnusamy, S.

    2005-01-01

    A normal coordinate analysis has been carried out on four compounds having a similar ring structure with different side chain substitutions, which are xanthine, caffeine, theophylline, and theobromine. Xanthine is chemically known as 2,6-dihydroxy purine. Caffeine, theophylline and theobromine are methylated xanthines. Considering the methyl groups as point mass, the number of normal modes of vibrations can be distributed as Γ vib=27 A'+12 A″ based on C s point group symmetry associated with the structures. In the present work 15 A' and 12 A″ normal modes are considered. A new set of orthonormal symmetry co-ordinates have been constructed. Wilson's F- G matrix method has been adopted for the normal coordinate analysis. A satisfactory vibrational band assignment has been made by employing the FTIR and FT Raman spectra of the compounds. The potential energy distribution is calculated with the arrived values of the force constants and hence the agreement of the frequency assignment has been checked.

  8. Vibration mixer

    Energy Technology Data Exchange (ETDEWEB)

    Alekhin, S.A.; Chernov, V.S.; Denisenko, V.V.; Gorodnyanskiy, I.F.; Prokopov, L.I.; Tikhonov, Yu.P.

    1983-01-01

    The vibration mixer is proposed which contains a housing, vibration drive with rod installed in the upper part of the mixing mechanism made in the form of a hollow shaft with blades. In order to improve intensity of mixing and dispersion of the mud, the shaft with the blades is arranged on the rod of the vibrator and is equipped with a cam coupling whose drive disc is attached to the vibration rod. The rod is made helical, while the drive disc of the cam coupling is attached to the helical surface of the rod. In addition, the vibration mixer is equipped with perforated discs installed on the ends of the rods.

  9. State resolved vibrational relaxation modeling for strongly nonequilibrium flows

    Science.gov (United States)

    Boyd, Iain D.; Josyula, Eswar

    2011-05-01

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

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

    Science.gov (United States)

    Marks, Janis; Vitolina, Sandra

    2017-12-01

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

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

    Directory of Open Access Journals (Sweden)

    Marks Janis

    2017-12-01

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

  12. Probable neuro sexual mode of action of Casimiroa edulis seed extract versus [correction of verses] sildenafil citrate (Viagra(tm)) on mating behavior in normal male rats.

    Science.gov (United States)

    Ali, Syed Tabrez; Rakkah, Nabeeh I

    2008-01-01

    The present study deals with the aphrodisiac actions of the aqueous extract of the seeds of the hypotensive plant Casimiroa edulis on the sexual behavior of normal male rats. In this investigation 30 healthy male Wister strain white albino rats showing the brisk sexual activity age 15 weeks, weighing 400-450 grams were included. Female rats were artificially brought into estrous by hormonal treatment. Receptivity was checked by exposing them to the male rats and the most receptive females were selected for the stud The mating responses including Mounting Frequency (MF), Intromission Frequency (IF), Mounting Latency (ML), Intromission Latency (IL), Ejaculatory Latency in first and second series (EL1 and EL2) and Post Ejaculatory Interval (PEI) were recorded after treating the animals with 250 mg/kg casimiroa edulis extract (test reference) and 5 mg/kg sildenafil citrate (standard reference) respectively orally per day for 7 days. Both the groups exhibited a significant increase in Mounting Frequency, Intromission Frequency, and first and second ejaculatory latencies, where as Mounting and Intromission latencies and the Post Ejaculatory Interval showed a significant reduction than the controls. Although a similar pattern of mating behavior was observed among the test and the standard groups, however in all the cases as expected, sildenafil produced greater activity than the casimiroa edulis extract. These results suggest the possibility of a similar mode of action of casimiroa edulis and sildenafil citrate on mating behavior in these animals. Our work reported in this research thus provide preliminary evidence that the aqueous seed extract of casimiroa edulis possesses alphrodisiac activity and may be used as an alternative drug therapy to restore sexual functions probably via a neurogenic mode of action.

  13. 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.

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

    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

  15. Normal mode analysis based on an elastic network model for biomolecules in the Protein Data Bank, which uses dihedral angles as independent variables.

    Science.gov (United States)

    Wako, Hiroshi; Endo, Shigeru

    2013-06-01

    We have developed a computer program, named PDBETA, that performs normal mode analysis (NMA) based on an elastic network model that uses dihedral angles as independent variables. Taking advantage of the relatively small number of degrees of freedom required to describe a molecular structure in dihedral angle space and a simple potential-energy function independent of atom types, we aimed to develop a program applicable to a full-atom system of any molecule in the Protein Data Bank (PDB). The algorithm for NMA used in PDBETA is the same as the computer program FEDER/2, developed previously. Therefore, the main challenge in developing PDBETA was to find a method that can automatically convert PDB data into molecular structure information in dihedral angle space. Here, we illustrate the performance of PDBETA with a protein-DNA complex, a protein-tRNA complex, and some non-protein small molecules, and show that the atomic fluctuations calculated by PDBETA reproduce the temperature factor data of these molecules in the PDB. A comparison was also made with elastic-network-model based NMA in a Cartesian-coordinate system. Copyright © 2013 Elsevier Ltd. All rights reserved.

  16. Alleviation of Buffet-Induced Vibration Using Piezoelectric Actuators

    National Research Council Canada - National Science Library

    Morgenstern, Shawn D

    2006-01-01

    .... The objective of this research was to determine the most critical natural modes of vibration for the F-16 ventral fin and design piezoelectric actuators capable of reducing buffet-induced ventral fin vibration...

  17. First principles study of vibrational dynamics of ceria-titania hybrid clusters

    Energy Technology Data Exchange (ETDEWEB)

    Majid, Abdul, E-mail: abdulmajid40@yahoo.com; Bibi, Maryam [University of Gujrat, Department of Physics (Pakistan)

    2017-04-15

    Density functional theory based calculations were performed to study vibrational properties of ceria, titania, and ceria-titania hybrid clusters. The findings revealed the dominance of vibrations related to oxygen when compared to those of metallic atoms in the clusters. In case of hybrid cluster, the softening of normal modes related to exterior oxygen atoms in ceria and softening/hardening of high/low frequency modes related to titania dimmers are observed. The results calculated for monomers conform to symmetry predictions according to which three IR and three Raman active modes were detected for TiO{sub 2}, whereas two IR active and one Raman active modes were observed for CeO{sub 2}. The comparative analysis indicates that the hybrid cluster CeTiO{sub 4} contains simultaneous vibrational fingerprints of the component dimmers. The symmetry, nature of vibrations, IR and Raman activity, intensities, and atomic involvement in different modes of the clusters are described in detail. The study points to engineering of CeTiO{sub 4} to tailor its properties for technological visible region applications in photocatalytic and electrochemical devices.

  18. 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...

  19. 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

  20. Vibrational spectra of aminoacetonitrile

    International Nuclear Information System (INIS)

    Bak, B.; Hansen, E.L.; Nicolaisen, F.M.; Nielsen, O.F.

    1975-01-01

    The preparation of pure, stable aminoacetonitrile(1-amino, 1'-cyanomethane)CH 2 NH 2 CN (1) is described. The Raman spectrum, now complete, and a novel infrared spectrum extending over the 50-3600 cm -1 region are reported. A tentative normal vibration analysis is presented and supported by Raman and infrared data from the spectra of CH 2 NHDCN (2) and CH 2 ND 2 CN (3). The predominance of the trans rotamer may be attributed to intramolecular hydrogen bonding but this is too unimportant to influence the vibrational frequencies of gaseous 1, 2, and 3. However, large gas/liquid frequency shifts occur. (author)

  1. Smart accelerometer. [vibration damage detection

    Science.gov (United States)

    Bozeman, Richard J., Jr. (Inventor)

    1994-01-01

    The invention discloses methods and apparatus for detecting vibrations from machines which indicate an impending malfunction for the purpose of preventing additional damage and allowing for an orderly shutdown or a change in mode of operation. The method and apparatus is especially suited for reliable operation in providing thruster control data concerning unstable vibration in an electrical environment which is typically noisy and in which unrecognized ground loops may exist.

  2. Plasma Modes

    Science.gov (United States)

    Dubin, D. H. E.

    This chapter explores several aspects of the linear electrostatic normal modes of oscillation for a single-species non-neutral plasma in a Penning trap. Linearized fluid equations of motion are developed, assuming the plasma is cold but collisionless, which allow derivation of the cold plasma dielectric tensor and the electrostatic wave equation. Upper hybrid and magnetized plasma waves in an infinite uniform plasma are described. The effect of the plasma surface in a bounded plasma system is considered, and the properties of surface plasma waves are characterized. The normal modes of a cylindrical plasma column are discussed, and finally, modes of spheroidal plasmas, and finite temperature effects on the modes, are briefly described.

  3. H3+: Ab initio calculation of the vibration spectrum

    International Nuclear Information System (INIS)

    Carney, G.D.; Porter, R.N.

    1976-01-01

    The vibration spectrum of H 3 + is calculated from the representation of a previously reported [J. Chem Phys. 60, 4251 (1974)] ab initio potential-energy surface in a fifth degree Simons--Parr--Finlan (SPF) expansion. Morse- and harmonic-oscillator basis functions are used to describe the motions of the three oscillators and the Harris--Engerholm--Gwinn quadrature technique is used to obtain matrix elements of the Hamiltonian in the basis of vibrational configurations. Our variational method is thus analogous to configuration--interaction calculations for electronic states. The ground state is found to have a zero-point energy of 4345 cm -1 and a vibrationally averaged geometry of R 1 =R 2 =0.91396 A, theta=60.0012degree, where theta is the angle between the two equivalent bonds. The transition frequencies for the E and A 1 fundamentals are nu-bar/sub E/=2516 cm -1 and nu-bar/sub A/=3185 cm -1 and those for the corresponding first overtones of the bending mode are 2nu-bar/sub E/=5004 +- 4 cm -1 and 2nu-bar/sub A/=4799 cm -1 . The first overtone of the breathing mode is 6264 cm -1 . The first-excited A 1 vibration state is metastable with a dipole--radiation lifetime of 3 sec. Transition frequencies, Einstein coefficients, and lifetimes are reported for a total of 21 transitions. Analysis of results for Dunham number and normal-coordinate expansions in comparison with those for SPF expansion show the latter to be superior for ab initio vibrational calculations. A scheme for possible direct measurement of the fundamental A 1 and E vibrational bands is suggested

  4. Study of long-range orders of hard-core bosons coupled to cooperative normal modes in two-dimensional lattices

    Science.gov (United States)

    Ghosh, A.; Yarlagadda, S.

    2017-09-01

    Understanding the microscopic mechanism of coexisting long-range orders (such as lattice supersolidity) in strongly correlated systems is a subject of immense interest. We study the possible manifestations of long-range orders, including lattice-supersolid phases with differently broken symmetry, in a two-dimensional square lattice system of hard-core bosons (HCBs) coupled to archetypal cooperative/coherent normal-mode distortions such as those in perovskites. At strong HCB-phonon coupling, using a duality transformation to map the strong-coupling problem to a weak-coupling one, we obtain an effective Hamiltonian involving nearest-neighbor, next-nearest-neighbor, and next-to-next-nearest-neighbor hoppings and repulsions. Using stochastic series expansion quantum Monte Carlo, we construct the phase diagram of the system. As coupling strength is increased, we find that the system undergoes a first-order quantum phase transition from a superfluid to a checkerboard solid at half-filling and from a superfluid to a diagonal striped solid [with crystalline ordering wave vector Q ⃗=(2 π /3 ,2 π /3 ) or (2 π /3 ,4 π /3 )] at one-third filling without showing any evidence of supersolidity. On tuning the system away from these commensurate fillings, checkerboard supersolid is generated near half-filling whereas a rare diagonal striped supersolid is realized near one-third filling. Interestingly, there is an asymmetry in the extent of supersolidity about one-third filling. Within our framework, we also provide an explanation for the observed checkerboard and stripe formations in La2 -xSrxNiO4 at x =1 /2 and x =1 /3 .

  5. Normal-mode Magnetoseismology as a Virtual Instrument for the Plasma Mass Density in the Inner Magneotsphere: MMS Observations during Magnetic Storms

    Science.gov (United States)

    Chi, P. J.; Takahashi, K.; Denton, R. E.

    2017-12-01

    Previous studies have demonstrated that the electric and magnetic field measurements on closed field lines can detect harmonic frequencies of field line resonance (FLR) and infer the plasma mass density distribution in the inner magnetosphere. This normal-mode magnetoseismology technique can act as a virtual instrument for spacecraft with a magnetometer and/or an electric field instrument, and it can convert the electromagnetic measurements to knowledge about the plasma mass, of which the dominant low-energy core is difficult to detect directly due to the spacecraft potential. The additional measurement of the upper hybrid frequency by the plasma wave instrument can well constrain the oxygen content in the plasma. In this study, we use field line resonance (FLR) frequencies observed by the Magnetospheric Multiscale (MMS) satellites to estimate the plasma mass density during magnetic storms. At FLR frequencies, the phase difference between the azimuthal magnetic perturbation and the radial electric perturbation is approximately ±90°, which is consistent with the characteristic of standing waves. During the magnetic storm in October 2015, the FLR observations indicate a clear enhancement in the plasma mass density on the first day of the recovery phase, but the added plasma was quickly removed on the following day. We will compare with the FLR observations by other operating satellites such as the Van Allen Probes and GOES to examine the spatial variations of the plasma mass density in the magnetosphere. Also discussed are how the spacing in harmonic frequencies can infer the distribution of plasma mass density along the field line as well as its implications.

  6. The signaling pathway of dopamine D2 receptor (D2R) activation using normal mode analysis (NMA) and the construction of pharmacophore models for D2R ligands.

    Science.gov (United States)

    Salmas, Ramin Ekhteiari; Stein, Matthias; Yurtsever, Mine; Seeman, Philip; Erol, Ismail; Mestanoglu, Mert; Durdagi, Serdar

    2017-07-01

    G-protein-coupled receptors (GPCRs) are targets of more than 30% of marketed drugs. Investigation on the GPCRs may shed light on upcoming drug design studies. In the present study, we performed a combination of receptor- and ligand-based analysis targeting the dopamine D2 receptor (D2R). The signaling pathway of D2R activation and the construction of universal pharmacophore models for D2R ligands were also studied. The key amino acids, which contributed to the regular activation of the D2R, were in detail investigated by means of normal mode analysis (NMA). A derived cross-correlation matrix provided us an understanding of the degree of pair residue correlations. Although negative correlations were not observed in the case of the inactive D2R state, a high degree of correlation appeared between the residues in the active state. NMA results showed that the cytoplasmic side of the TM5 plays a significant role in promoting of residue-residue correlations in the active state of D2R. Tracing motions of the amino acids Arg219, Arg220, Val223, Asn224, Lys226, and Ser228 in the position of the TM5 are found to be critical in signal transduction. Complementing the receptor-based modeling, ligand-based modeling was also performed using known D2R ligands. The top-scored pharmacophore models were found as 5-sited (AADPR.671, AADRR.1398, AAPRR.3900, and ADHRR.2864) hypotheses from PHASE modeling from a pool consisting of more than 100 initial candidates. The constructed models using 38 D2R ligands (in the training set) were validated with 15 additional test set compounds. The resulting model correctly predicted the pIC 50 values of an additional test set compounds as true unknowns.

  7. Multi-scaled normal mode analysis method for dynamics simulation of protein-membrane complexes: A case study of potassium channel gating motion correlations

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Xiaokun; Han, Min; Ming, Dengming, E-mail: dming@fudan.edu.cn [Department of Physiology and Biophysics, School of Life Sciences, Fudan University, Shanghai (China)

    2015-10-07

    Membrane proteins play critically important roles in many cellular activities such as ions and small molecule transportation, signal recognition, and transduction. In order to fulfill their functions, these proteins must be placed in different membrane environments and a variety of protein-lipid interactions may affect the behavior of these proteins. One of the key effects of protein-lipid interactions is their ability to change the dynamics status of membrane proteins, thus adjusting their functions. Here, we present a multi-scaled normal mode analysis (mNMA) method to study the dynamics perturbation to the membrane proteins imposed by lipid bi-layer membrane fluctuations. In mNMA, channel proteins are simulated at all-atom level while the membrane is described with a coarse-grained model. mNMA calculations clearly show that channel gating motion can tightly couple with a variety of membrane deformations, including bending and twisting. We then examined bi-channel systems where two channels were separated with different distances. From mNMA calculations, we observed both positive and negative gating correlations between two neighboring channels, and the correlation has a maximum as the channel center-to-center distance is close to 2.5 times of their diameter. This distance is larger than recently found maximum attraction distance between two proteins embedded in membrane which is 1.5 times of the protein size, indicating that membrane fluctuation might impose collective motions among proteins within a larger area. The hybrid resolution feature in mNMA provides atomic dynamics information for key components in the system without costing much computer resource. We expect it to be a conventional simulation tool for ordinary laboratories to study the dynamics of very complicated biological assemblies. The source code is available upon request to the authors.

  8. Group-theoretical and topological analysis of localized rotation-vibration states

    International Nuclear Information System (INIS)

    Sadovskii, D.A.; Zhilinskii, B.I.

    1993-01-01

    A general scheme of qualitative analysis is applied to molecular rovibrational problems. The classical-quantum correspondence provides a description of different classes of localized quantum rotation-vibration states associated with localized classical motion. A description of qualitative features, such as localized motion, and of qualitative changes, such as localization phenomena, is based on the concept of the simplest Hamiltonian. It uses only the topological properties of the compact reduced phase space and the action of the symmetry group on this space. The qualitative changes of the simplest Hamiltonian are analyzed as bifurcations caused by rotational or vibrational excitation. The relation between the stationary points of the classical Hamiltonian function on the reduced phase space and the principal periodic trajectories in the coordinate space is analyzed for vibrational Hamiltonians. In particular, the relation between the nonlinear normal modes, proposed by Montaldi, Roberts, and Stewart [Philos. Trans. R. Soc. London, Ser. A 325, 237 (1988)], and normal- and local-mode models widely used in molecular physics is discussed. Along with a general consideration of localized rotational and vibrational states a more detailed analysis of the vibrational dynamics of an X 3 molecule with the D 3h symmetry, such as the H 3 + molecular ion, is given

  9. THz time domain spectroscopy of biomolecular conformational modes

    International Nuclear Information System (INIS)

    Markelz, Andrea; Whitmire, Scott; Hillebrecht, Jay; Birge, Robert

    2002-01-01

    We discuss the use of terahertz time domain spectroscopy for studies of conformational flexibility and conformational change in biomolecules. Protein structural dynamics are vital to biological function with protein flexibility affecting enzymatic reaction rates and sensory transduction cycling times. Conformational mode dynamics occur on the picosecond timescale and with the collective vibrational modes associated with these large scale structural motions in the 1-100 cm -1 range. We have performed THz time domain spectroscopy (TTDS) of several biomolecular systems to explore the sensitivity of TTDS to distinguish different molecular species, different mutations within a single species and different conformations of a given biomolecule. We compare the measured absorbances to normal mode calculations and find that the TTDS absorbance reflects the density of normal modes determined by molecular mechanics calculations, and is sensitive to both conformation and mutation. These early studies demonstrate some of the advantages and limitations of using TTDS for the study of biomolecules

  10. Observations of the azimuthal dependence of normal mode coupling below 4 mHz at the South Pole and its nearby stations: Insights into the anisotropy beneath the Transantarctic Mountains

    Science.gov (United States)

    Hu, Xiao Gang

    2016-08-01

    Normal mode coupling pair 0S26-0T26 and 0S27-0T27 are significantly present at the South Pole station QSPA after the 2011/03/11 Mw9.1 Tohoku earthquake. In an attempt to determine the mechanisms responsible for the coupling pairs, I first investigate mode observations at 43 stations distributed along the polar great-circle path for the earthquake and observations at 32 Antarctic stations. I rule out the effect of Earth's rotation as well as the effect of global large-scale lateral heterogeneity, but argue instead for the effect of small-scale local azimuthal anisotropy in a depth extent about 300 km. The presence of quasi-Love waveform in 2-5 mHz at QSPA and its nearby stations confirms the predication. Secondly, I analyze normal mode observations at the South Pole location after 28 large earthquakes from 1998 to 2015. The result indicates that the presence of the mode coupling is azimuthal dependent, which is related to event azimuths in -46° to -18°. I also make a comparison between the shear-wave splitting measurements of previous studies and the mode coupling observations of this study, suggesting that their difference can be explained by a case that the anisotropy responsible for the mode coupling is not just below the South Pole location but located below region close to the Transantarctic Mountains (TAM). Furthermore, more signals of local azimuthal anisotropy in normal-mode observations at QSPA and SBA, such as coupling of 0S12-0T11 and vertical polarization anomaly for 0T10, confirms the existence of deep anisotropy close to TAM, which may be caused by asthenospheric mantle flow and edge convection around cratonic keel of TAM.

  11. Vibrational properties of organic donor-acceptor molecular crystals: Anthracene-pyromellitic-dianhydride (PMDA) as a case study

    KAUST Repository

    Fonari, A.; Corbin, N. S.; Vermeulen, D.; Goetz, K. P.; Jurchescu, O. D.; McNeil, L. E.; Bredas, Jean-Luc; Coropceanu, V.

    2015-01-01

    We establish a reliable quantum-mechanical approach to evaluate the vibrational properties of donor-acceptor molecular crystals. The anthracene-PMDA (PMDA = pyromellitic dianhydride) crystal, where anthracene acts as the electron donor and PMDA as the electron acceptor, is taken as a representative system for which experimental non-resonance Raman spectra are also reported. We first investigate the impact that the amount of nonlocal Hartree-Fock exchange (HFE) included in a hybrid density functional has on the geometry, normal vibrational modes, electronic coupling, and electron-vibrational (phonon) couplings. The comparison between experimental and theoreticalRaman spectra indicates that the results based on the αPBE functional with 25%-35% HFE are in better agreement with the experimental results compared to those obtained with the pure PBE functional. Then, taking αPBE with 25% HFE, we assign the vibrational modes and examine their contributions to the relaxation energy related to the nonlocal electron-vibration interactions. The results show that the largest contribution (about 90%) is due to electron interactions with low-frequency vibrational modes. The relaxation energy in anthracene-PMDA is found to be about five times smaller than the electronic coupling.

  12. Vibrational properties of organic donor-acceptor molecular crystals: Anthracene-pyromellitic-dianhydride (PMDA) as a case study

    KAUST Repository

    Fonari, A.

    2015-12-10

    We establish a reliable quantum-mechanical approach to evaluate the vibrational properties of donor-acceptor molecular crystals. The anthracene-PMDA (PMDA = pyromellitic dianhydride) crystal, where anthracene acts as the electron donor and PMDA as the electron acceptor, is taken as a representative system for which experimental non-resonance Raman spectra are also reported. We first investigate the impact that the amount of nonlocal Hartree-Fock exchange (HFE) included in a hybrid density functional has on the geometry, normal vibrational modes, electronic coupling, and electron-vibrational (phonon) couplings. The comparison between experimental and theoreticalRaman spectra indicates that the results based on the αPBE functional with 25%-35% HFE are in better agreement with the experimental results compared to those obtained with the pure PBE functional. Then, taking αPBE with 25% HFE, we assign the vibrational modes and examine their contributions to the relaxation energy related to the nonlocal electron-vibration interactions. The results show that the largest contribution (about 90%) is due to electron interactions with low-frequency vibrational modes. The relaxation energy in anthracene-PMDA is found to be about five times smaller than the electronic coupling.

  13. A Novel Higher-Order Shear and Normal Deformable Plate Theory for the Static, Free Vibration and Buckling Analysis of Functionally Graded Plates

    Directory of Open Access Journals (Sweden)

    Shi-Chao Yi

    2017-01-01

    Full Text Available Closed-form solution of a special higher-order shear and normal deformable plate theory is presented for the static situations, natural frequencies, and buckling responses of simple supported functionally graded materials plates (FGMs. Distinguished from the usual theories, the uniqueness is the differentia of the new plate theory. Each individual FGM plate has special characteristics, such as material properties and length-thickness ratio. These distinctive attributes determine a set of orthogonal polynomials, and then the polynomials can form an exclusive plate theory. Thus, the novel plate theory has two merits: one is the orthogonality, where the majority of the coefficients of the equations derived from Hamilton’s principle are zero; the other is the flexibility, where the order of the plate theory can be arbitrarily set. Numerical examples with different shapes of plates are presented and the achieved results are compared with the reference solutions available in the literature. Several aspects of the model involving relevant parameters, length-to-thickness, stiffness ratios, and so forth affected by static and dynamic situations are elaborate analyzed in detail. As a consequence, the applicability and the effectiveness of the present method for accurately computing deflection, stresses, natural frequencies, and buckling response of various FGM plates are demonstrated.

  14. Urban vibrations

    DEFF Research Database (Denmark)

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

    2012-01-01

    In   this   paper   we   describe   a   field   study   conducted   with   a   wearable   vibration   belt   where   we   test   to   determine   the   vibration   intensity   sensitivity   ranges   on   a   large   diverse   group   of   participants   with   evenly   distributed  ages  and...

  15. A COMPARATIVE STUDY OF WHOLE-BODY VIBRATION EXPOSURE IN TRAIN AND CAR PASSENGERS: A CASE STUDY IN MALAYSIA

    Directory of Open Access Journals (Sweden)

    M.M. Rahman

    2011-12-01

    Full Text Available Trains and cars are the most important modes of transportation throughout the world. In highly developed countries, trains have become essential for human use as the most well-known form of public transportation, whereas the car plays a significant role in prompt human travel from one place to another. The high magnitude of vibration caused by trains and cars may cause health problems in humans, especially low back pain. The aim of this study was to evaluate and validate the values of daily exposure to vibration A(8 and the vibration dose value (VDV in passengers travelling by train and car and to assess the effects produced by this exposure on the human body. Moreover, this study introduces a newly developed whole-body vibration measurement instrumentation system. One train travelling from the east coast to the south of Malaysia was chosen to conduct the study. Whole-body vibration exposure was measured over 8 hours, which is equal to the duration of normal occupational exposure. One car was chosen randomly and whole-body vibration exposure was measured for 5 min and 10 min. All the data were computed using an IEPE(ICPTM accelerometer sensor connected to a DT9837 device which is capable of effectively measuring and analysing vibration. The vibration results were displayed on a personal computer using a custom graphical user interface (GUI. Matlab software was used to interpret the data. From the results, the whole-body vibration exposure level could be determined. It can be concluded that the whole-body vibration absorbed by the human body is enhanced when the magnitude of the vibration exposure experienced by the passengers increased. This was shown by the increased values of daily exposure to vibration A(8 and VDV calculated in the study.

  16. Vibration-rotational overtones absorption of solid hydrogens using optoacoustic spectroscopy technique

    International Nuclear Information System (INIS)

    Vieira, M.M.F.

    1985-01-01

    Vibrational-rotational overtones absorption solid hydrogens (H 2 , D 2 , HD) is studied using pulsed laser piezoeletric transducer (PULPIT) optoacoustic spectroscopy is studied. A general downward shift in energy from isolated molecular energies is observed. Studying normal-hydrogen it was observed that the phonon excitations associated with double-molecular transitions are predominantly transverse-optical phonons, whereas the excitations associated with single-molecular transitions are predominantly longitudinal - optical phonons. Multiplet structures were observed for certain double transitions in parahydrogen and orthodeuterium. The HD spectrum, besides presenting the sharp zero-phonon lines and the associated phonon side bands, like H 2 and D 2 , showed also two different features. This observation was common to all the transitions involving pure rotational excitation in H 2 and D 2 , which showed broad linewidths. This, together with some other facts (fluorescence lifetime *approx*10 5 sec; weak internal vibration and lattice coupling), led to the proposition of a mechanism for the fast nonradiative relaxation in solid hydrogens, implied from some observed experimental evidences. This relaxation, due to strong coupling, would happen in two steps: the internal vibration modes would relax to the rotational modes of the molecules, and then this rotational modes would relax to the lattice vibration modes. (Author) [pt

  17. Theoretical Investigation of Vibrational Frequencies for Tetrabromopalladate (II Ion

    Directory of Open Access Journals (Sweden)

    Metin Bilge

    2010-11-01

    Full Text Available The normal mode frequencies and corresponding vibrational assignments of tetrabromopalladate (II ion ([Pd(Br4]2- have been theoretically examined by means of standard quantum chemical technique. All normal modes have been successfully assigned utilizing the D4h symmetry of [Pd(Br4]2-. Calculation has been performed at the Becke-3-Lee-Yang-Parr (B3LYP density functional method using the Lanl2dz basis set. Infrared intensities and Raman activities have also been calculated and reported. Theoretical results have been successfully compared against available experimental data. Key words: [Pd(Br4]2-, DFT, vibrational assignment, normal mode frequency, Lanl2dz Tetrabromopaladyum (II İyonunun Titreşim Frekanslarının Teorik Olarak İncelenmesi Tetrabromopaladyum (II iyonunun ([Pd(Br4]2- normal mod frekansları ve bunlara karşılık gelen titreşim işaretlemeleri standart kuantum kimyasal teknik yardımıyla teorik olarak incelenmektedir. Tüm normal modlar [Pd(Br4]2- iyonunun D4h nokta grubu kullanılarak başarılı bir şekilde işaretlenmiştir. Hesaplama Lanl2dz baz seti kullanılarak B3LYP (Becke-3-Lee-Yang-Parr yoğunluk fonksiyonel metoduyla gerçekleştirilmiş ve infrared intensiteleri ile Raman aktiviteleri de hesaplanmıştır. Teorik sonuçlar mevcut deneysel değerler ile başarılı bir şekilde karşılaştırılmaktadır. Anahtar kelimeler: [Pd(Br4]2-, DFT, titreşim işaretlemesi, normal mod frekansı, Lanl2dz

  18. Axisymmetric vibrations of thick shells of revolution

    International Nuclear Information System (INIS)

    Suzuki, Katsuyoshi; Kosawada, Tadashi; Takahashi, Shin

    1983-01-01

    Axisymmetric shells of revolution are used for chemical plants, nuclear power plants, aircrafts, structures and so on, and the elucidation of their free vibration is important for the design. In this study, the axisymmetric vibration of a barrel-shaped shell was analyzed by the modified thick shell theory. The Lagrangian during one period of the vibration of a shell of revolution was determined, and from its stopping condition, the vibration equations and the boundary conditions were derived. The vibration equations were analyzed strictly by using the series solution. Moreover, the basic equations for the strain of a shell and others were based on those of Love. As the examples of numerical calculation, the natural frequency and vibration mode of the symmetrical shells of revolution fixed at both ends and supported at both ends were determined, and their characteristics were clarified. By comparing the results of this study with the results by thin shell theory, the effects of shearing deformation and rotary inertia on the natural frequency and vibration mode were clarified. The theoretical analysis and the numerical calculation are described. The effects of shearing deformation and rotary inertia on the natural frequency became larger in the higher order vibration. The vibration mode did not much change in both theories. (Kako, I.)

  19. Measuring body layer vibration of vocal folds by high-frame-rate ultrasound synchronized with a modified electroglottograph.

    Science.gov (United States)

    Tang, Shanshan; Zhang, Yuanyuan; Qin, Xulei; Wang, Supin; Wan, Mingxi

    2013-07-01

    The body-cover concept suggests that the vibration of body layer is an indispensable component of vocal fold vibration. To quantify this vibration, a synchronized system composed of a high-frame-rate ultrasound and a modified electroglottograph (EGG) was employed in this paper to simultaneously image the body layer vibration and record the vocal fold vibration phase information during natural phonations. After data acquisition, the displacements of in vivo body layer vibrations were measured from the ultrasonic radio frequency data, and the temporal reconstruction method was used to enhance the measurement accuracy. Results showed that the modified EGG, the waveform and characteristic points of which were identical to the conventional EGG, resolved the position conflict between the ultrasound transducer and EGG electrodes. The location and range of the vibrating body layer in the estimated displacement image were more clear and discernible than in the ultrasonic B-mode image. Quantitative analysis for vibration features of the body layer demonstrated that the body layer moved as a unit in the superior-inferior direction during the phonation of normal chest registers.

  20. Ultrafast vibrations of gold nanorings

    DEFF Research Database (Denmark)

    Kelf, T; Tanaka, Y; Matsuda, O

    2011-01-01

    We investigate the vibrational modes of gold nanorings on a silica substrate with an ultrafast optical technique. By comparison with numerical simulations, we identify several resonances in the gigahertz range associated with axially symmetric deformations of the nanoring and substrate. We...

  1. Ultrafast vibrations of gold nanorings

    DEFF Research Database (Denmark)

    Kelf, T; Tanaka, Y; Matsuda, O

    2011-01-01

    We investigate the vibrational modes of gold nanorings on a silica substrate with an ultrafast optical technique. By comparison with numerical simulations, we identify several resonances in the gigahertz range associated with axially symmetric deformations of the nanoring and substrate. We elucid...

  2. Predicting footbridge vibrations using a probability-based approach

    DEFF Research Database (Denmark)

    Pedersen, Lars; Frier, Christian

    2017-01-01

    Vibrations in footbridges may be problematic as excessive vibrations may occur as a result of actions of pedestrians. Design-stage predictions of levels of footbridge vibration to the action of a pedestrian are useful and have been employed for many years based on a deterministic approach to mode...

  3. Forced vibrations of a cantilever beam

    International Nuclear Information System (INIS)

    Repetto, C E; Roatta, A; Welti, R J

    2012-01-01

    The theoretical and experimental solutions for vibrations of a vertical-oriented, prismatic, thin cantilever beam are studied. The beam orientation is ‘downwards’, i.e. the clamped end is above the free end, and it is subjected to a transverse movement at a selected frequency. Both the behaviour of the device driver and the beam's weak-damping resonance response are compared for the case of an elastic beam made from PVC plastic excited over a frequency range from 1 to 30 Hz. The current analysis predicts the presence of ‘pseudo-nodes’ in the normal modes of oscillation. It is important to note that our results were obtained using very simple equipment, present in the teaching laboratory. (paper)

  4. Vibrating minds

    CERN Multimedia

    2009-01-01

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

  5. 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...

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

    International Nuclear Information System (INIS)

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

    1995-01-01

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

  7. Density functional theory and Raman spectroscopy applied to structure and vibrational mode analysis of 1,1',3,3'-tetraethyl-5,5',6,6'-tetrachloro- benzimidazolocarbocyanine iodide and its aggregate.

    Science.gov (United States)

    Aydin, Metin; Dede, Özge; Akins, Daniel L

    2011-02-14

    We have measured electronic and Raman scattering spectra of 1,1',3,3'-tetraethyl-5,5',6,6'-tetrachloro-benzimidazolocarbocyanine iodide (TTBC) in various environments, and we have calculated the ground state geometric and spectroscopic properties of the TTBC cation in the gas and solution phases (e.g., bond distances, bond angles, charge distributions, and Raman vibrational frequencies) using density functional theory. Our structure calculations have shown that the ground state equilibrium structure of a cis-conformer lies ∼200 cm(-1) above that of a trans-conformer and both conformers have C(2) symmetry. Calculated electronic transitions indicate that the difference between the first transitions of the two conformers is about 130 cm(-1). Raman spectral assignments of monomeric- and aggregated-TTBC cations have been aided by density functional calculations at the same level of the theory. Vibrational mode analyses of the calculated Raman spectra reveal that the observed Raman bands above 700 cm(-1) are mainly associated with the in-plane deformation of the benzimidazolo moieties, while bands below 700 cm(-1) are associated with out-of-plane deformations of the benzimidazolo moieties. We have also found that for the nonresonance excited experimental Raman spectrum of aggregated-TTBC cation, the Raman bands in the higher-frequency region are enhanced compared with those in the nonresonance spectrum of the monomeric cation. For the experimental Raman spectrum of the aggregate under resonance excitation, however, we find new Raman features below 600 cm(-1), in addition to a significantly enhanced Raman peak at 671 cm(-1) that are associated with out-of-plane distortions. Also, time-dependent density functional theory calculations suggest that the experimentally observed electronic transition at ∼515 nm (i.e., 2.41 eV) in the absorption spectrum of the monomeric-TTBC cation predominantly results from the π → π∗ transition. Calculations are further interpreted

  8. Lateral Vibration Attenuation by the Dynamic Adjustment of Bias Currents in Magnetic Suspension System

    International Nuclear Information System (INIS)

    Mizuno, Takeshi; Takasaki, Masaya; Ishino, Yuji

    2016-01-01

    Switching stiffness control is applied to attenuate vibration in the lateral directions in an active magnetic suspension system with electromagnets operated in differential mode. The magnetic suspension system using the attractive force between magnetized bodies is inherently unstable in the normal direction so that feedback control is necessary to achieve stable suspension. In contrast, it can be stable in the lateral directions due to the edge effects in the magnetic circuits. In several applications, such passive suspension is used in combination with the active one to reduce cost and space. However, damping in the lateral directions is generally small. As a result, induced vibrations in these directions are hardly attenuated. To suppress such vibration without any additional actuator (electromagnet), switching stiffness control is applied to an magnetic suspension system operated in the differential mode. The stiffness in the lateral direction is adjusted by varying the bias currents of an opposed pair of electromagnets located in the normal direction simultaneously according to the motion of the suspended object. When the varied bias currents are adjusted for the additive normal forces cancel each other, such control does not affect the suspension in the normal direction. The effectiveness of the proposed control methods is confirmed experimentally. (paper)

  9. Lattice Vibrations in Chlorobenzenes:

    DEFF Research Database (Denmark)

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

    1974-01-01

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

  10. Correlation of finite element free vibration predictions using random vibration test data. M.S. Thesis - Cleveland State Univ.

    Science.gov (United States)

    Chambers, Jeffrey A.

    1994-01-01

    Finite element analysis is regularly used during the engineering cycle of mechanical systems to predict the response to static, thermal, and dynamic loads. The finite element model (FEM) used to represent the system is often correlated with physical test results to determine the validity of analytical results provided. Results from dynamic testing provide one means for performing this correlation. One of the most common methods of measuring accuracy is by classical modal testing, whereby vibratory mode shapes are compared to mode shapes provided by finite element analysis. The degree of correlation between the test and analytical mode shapes can be shown mathematically using the cross orthogonality check. A great deal of time and effort can be exhausted in generating the set of test acquired mode shapes needed for the cross orthogonality check. In most situations response data from vibration tests are digitally processed to generate the mode shapes from a combination of modal parameters, forcing functions, and recorded response data. An alternate method is proposed in which the same correlation of analytical and test acquired mode shapes can be achieved without conducting the modal survey. Instead a procedure is detailed in which a minimum of test information, specifically the acceleration response data from a random vibration test, is used to generate a set of equivalent local accelerations to be applied to the reduced analytical model at discrete points corresponding to the test measurement locations. The static solution of the analytical model then produces a set of deformations that once normalized can be used to represent the test acquired mode shapes in the cross orthogonality relation. The method proposed has been shown to provide accurate results for both a simple analytical model as well as a complex space flight structure.

  11. Stabilization of axisymmetric liquid bridges through vibration-induced pressure fields.

    Science.gov (United States)

    Haynes, M; Vega, E J; Herrada, M A; Benilov, E S; Montanero, J M

    2018-03-01

    Previous theoretical studies have indicated that liquid bridges close to the Plateau-Rayleigh instability limit can be stabilized when the upper supporting disk vibrates at a very high frequency and with a very small amplitude. The major effect of the vibration-induced pressure field is to straighten the liquid bridge free surface to compensate for the deformation caused by gravity. As a consequence, the apparent Bond number decreases and the maximum liquid bridge length increases. In this paper, we show experimentally that this procedure can be used to stabilize millimeter liquid bridges in air under normal gravity conditions. The breakup of vibrated liquid bridges is examined experimentally and compared with that produced in absence of vibration. In addition, we analyze numerically the dynamics of axisymmetric liquid bridges far from the Plateau-Rayleigh instability limit by solving the Navier-Stokes equations. We calculate the eigenfrequencies characterizing the linear oscillation modes of vibrated liquid bridges, and determine their stability limits. The breakup process of a vibrated liquid bridge at that stability limit is simulated too. We find qualitative agreement between the numerical predictions for both the stability limits and the breakup process and their experimental counterparts. Finally, we show the applicability of our technique to control the amount of liquid transferred between two solid surfaces. Copyright © 2017 Elsevier Inc. All rights reserved.

  12. Vibrational spectra of water solutions of azoles from QM/MM calculations: effects of solvation.

    Science.gov (United States)

    Tanzi, Luana; Ramondo, Fabio; Guidoni, Leonardo

    2012-10-18

    Using microsolvation models and mixed quantum/classical ab initio molecular dynamics simulations, we investigate the vibrational properties of two azoles in water solution: pyrazole and oxazole. The effects of the water-azole hydrogen bonding are rationalized by an extensive comparison between structural parameters and harmonic frequencies obtained by microsolvation models. Following the effective normal-mode analysis introduced by Martinez et al. [Martinez et al., J. Chem. Phys. 2006, 125, 144106], we identify the vibrational frequencies of the solutes using the decomposition of the vibrational density of states of the gas phase and solution dynamics. The calculated shifts from gas phase to solution are fairly in agreement with the available experimental data.

  13. New determinations of Q quality factors and eigenfrequencies for the whole set of singlets of the Earth's normal modes 0S 0, 0S 2, 0S 3 and 2S 1 using superconducting gravimeter data from the GGP network

    Science.gov (United States)

    Roult, Geneviève; Rosat, Séverine; Clévédé, Eric; Millot-Langet, Raphaële; Hinderer, Jacques

    2006-01-01

    We present new modal Q measurements of the 0S 0 and 0S 2 modes, and first modal frequencies and Q measurements of 2S 1 and 0S 3 modes. The high quality of the GGP (Global Geodynamics Project) superconducting gravimeters (SGs) contributes to the clear observation of seismic normal modes at frequencies lower than 1 mHz and offers a good opportunity for studying the behaviour of these modes. The interest of scientists in the gravest normal modes is due to the fact that they do contribute to a better knowledge of the density profile in the Earth, helping to constrain Earth's models. These modes have been clearly identified after some large recent events recorded with superconducting gravimeters, particularly well-suited for low-frequency investigations. The Ms = 8.1 (Mw = 8.4) Peruvian earthquake of June 2001 and the Ms = 9.0 (Mw = 9.3) Sumatra-Andaman earthquake of December 2004 provide us with individual spectra which exhibit a clear splitting of the spheroidal modes 0S 2, 0S 3 and 2S 1, and a clear identification of each of the individual singlets, with a resolution never obtained from broad-band seismometers records. The Q quality factors have been determined from the apparent decrease of the amplitude of each singlet with time, according to a well-suited technique [Roult, G., Clévédé, E., 2000. New refinements in attenuation measurements from free-oscillation and surface-wave observations. Phys. Earth Planet. Inter. 121, 1-37]. The results are compared to the theoretical frequencies and Q quality factors computed for the PREM and 1066A models, taking into account both rotation and ellipticity effects of the Earth. The two observed datasets (frequencies and Q quality factors) exhibit a splitting on the observed values different from the predicted one. That seems to point out that some parameters as density or attenuation values used in the theoretical models do not explain the observations. A new dataset of frequencies and Q quality factors of the whole set of

  14. Vibration analysis of a hydro generator for different operating regimes

    Science.gov (United States)

    Haţiegan, C.; Pădureanu, I.; Jurcu, M.; Nedeloni, M. D.; Hamat, C. O.; Chioncel, C. P.; Trocaru, S.; Vasile, O.; Bădescu, O.; Micliuc, D.; (Filip Nedeloni, L.; Băra, A.; (Barboni Haţiegan, L.

    2017-01-01

    Based on experimental measurements, this paper presents the vibration analysis of a hydro generator that equips a Kaplan hydraulic turbine of a Hydropower plant in Romania. This analysis means vibrations measurement to different operating regimes of the hydro generator respectively before installing it and into operation, namely putting off load mode (unexcited and excited) respectively putting on load mode. By comparing, through the experimental results obtained before and after the operation of hydro aggregates are observed vibrations improvements.

  15. Improved assignments of the vibrational fundamental modes of ortho -, meta -, and para -xylene using gas- and liquid-phase infrared and Raman spectra combined with ab initio calculations: Quantitative gas-phase infrared spectra for detection

    Energy Technology Data Exchange (ETDEWEB)

    Lindenmaier, Rodica; Scharko, Nicole K.; Tonkyn, Russell G.; Nguyen, Kiet T.; Williams, Stephen D.; Johnson, Timothy J.

    2017-07-25

    Xylenes contain a blend of the ortho-, meta-, and para- isomers, and all are abundant contaminants in the ground, surface waters, and air. To better characterize xylene and to better enable its detection, we report high quality quantitative vapor-phase infrared spectra of all three isomers over the 540-6500 cm-1 range. All fundamental vibrational modes are assigned based on these vapor-phase infrared spectra, liquid-phase infrared and Raman spectra, along with density functional theory (DFT), ab initio MP2 and high energy-accuracy compound theoretical model (W1BD) calculations. Both MP2 and DFT predict a single conformer with C2v symmetry for ortho-xylene, and two conformers each for meta- and para-xylene, depending on the preferred orientations of the methyl groups. For meta-xylene the two conformers have Cs and C2 symmetry, and for para-xylene these conformers have C2v or C2h symmetry. Since the relative population of the two conformers is approximately 50% for both isomers and predicted frequencies and intensities are very similar for each conformer, we made an arbitrary choice to discuss the Cs conformer for meta-xylene and the C2v conformer for para-xylene. We report integrated band intensities for all isomers. Using the quantitative infrared data, we determine the global warming potential values of each isomer and discuss potential bands for atmospheric monitoring.

  16. Infrared spectroscopy of flavones and flavonols. Reexamination of the hydroxyl and carbonyl vibrations in relation to the interactions of flavonoids with membrane lipids

    Science.gov (United States)

    Baranović, Goran; Šegota, Suzana

    2018-03-01

    Detailed vibrational assignments for twelve flavonoids (seven flavones (flavone, 3- and 5-hydroxyflavone, chrysin, apigenin, fisetin and luteolin) and five flavonols (galangin, kaempferol, quercetin, morin and myricetin)) have been made based on own and reported experimental data and calculations at the B3LYP/6-31 + G(d,p) level of theory. All the molecules are treated in a uniform way by using the same set of redundancy-free set of internal coordinates. A generalized harmonic mode mixing is used to corroborate the vibrational characteristics of this important class of molecules. Each flavonoid molecule can be treated from the vibrational point of view as made of relatively weakly coupled chromone and phenyl part. It has been shown that the strongest band around 1600 cm- 1 need not be attributable to the Cdbnd O stretching. The way the vibrations of any of the hydroxyl groups are mixed with ring vibrations and vibrations of other neighboring hydroxyl groups is rather involved. This imposes severe limitations on any attempt to describe normal modes of a flavonol in terms of hydroxyl or carbonyl group vibrations. The role of water molecules in the appearance of flavonoid IR spectra is emphasized. Knowing for the great affinity of phosphate groups in lipids towards water, the immediate consequence is a reasonable assumption that flavonoid lipid interactions is mediated by water.

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

    Science.gov (United States)

    Armenise, Iole; Kustova, Elena

    2018-05-21

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

  18. [Study on FTIR spectra of finger nails of normal people and patients of esophagus cancer].

    Science.gov (United States)

    Wang, Hong-Yan; Lü, Yin; Wang, Fan; Ma, Xiao-Dong; Jiang, Shi-Ping; Wang, Wei; Li, Cheng-Xiang

    2008-02-01

    To investigate the application of human finger nails in the diagnosis of cancer, Fourier transform infrared (FTIR) spectroscopy was employed to study the finger nails from some normal people and some with esophagus cancer and others with an operation for curing esophagus cancer five months ago. The results showed that there are obvious differences between FTIR spectra in them in spectral parameters such as frequency, intensity and band shape etc. The changes in the phosphate symmetric stretching vibration v(s) (PO2-) and asymmetric stretching vibration v(a)s(PO2-) modes are uniform, the v(s) (PO2-) and v(a)s(PO2-) absorption peaks of cancerous ones shift to high wave number compared with those of normal people, while those with operation shift to low wave number compared with those of cancerous ones. The C-O stretching vibration mode of protein located at 1 164 cm(-1) is composed of three absorption peaks located at 1 173.3, 1 158.0 and 1 151.1 cm(-1) respectively, meanwhile, the intensities and the wave numbers of the three peaks of cancerous ones all increase compared with normal people. The wave numbers of amide I and amide II of cancerous ones are both lower than those of normal people, while those with operation are between the cancerous ones and normal people, which suggest that the contents of protein and alpha-helix in finger nails of normal people, cancerous ones and the ones with operation are discriminative. The peak of bending vibration delta(CH2) mode of CH2 groups of protein lipid of cancerous ones shifts to high wave number slightly and the intensity of the peak weakens compared with that of normal people, which indicate that the methylene chain in the finger nails membrane lipids of cancerous ones is more ordered than that of normal people. Nevertheless, the peak of stretching vibration v(s) (CH2) of cancerous ones is lower than that of normal people, while that of the ones with operation is between cancerous ones and normal ones. As a result, the

  19. Intermodal resonance of vibrating suspended cables

    NARCIS (Netherlands)

    Rienstra, S.W.

    2010-01-01

    The weakly nonlinear free vibrations of a single suspended cable, or a coupled system of suspended cables, may be classified as gravity modes (no tension variations to leading order) and elasto-gravity modes (tension and vertical displacement equally important). It was found earlier [12] that the

  20. Study of complex modes

    International Nuclear Information System (INIS)

    Pastrnak, J.W.

    1986-01-01

    This eighteen-month study has been successful in providing the designer and analyst with qualitative guidelines on the occurrence of complex modes in the dynamics of linear structures, and also in developing computer codes for determining quantitatively which vibration modes are complex and to what degree. The presence of complex modes in a test structure has been verified. Finite element analysis of a structure with non-proportional dumping has been performed. A partial differential equation has been formed to eliminate possible modeling errors

  1. Developed vibration waveform monitoring unit for CBM

    International Nuclear Information System (INIS)

    Hamada, T.; Hotsuta, K.; Hirose, I.; Morita, E.

    2007-01-01

    In nuclear power plants, many rotating machines such as pumps and fans are in use. Shikoku Research Institute Inc. has recently developed easy-to-use tools to facilitate the maintenance of such equipment. They include a battery-operated vibration waveform monitoring unit which allows unmanned vibration monitoring on a regular basis and data collection even from intermittently operating equipment, a waveform data collector which can be used for easy collection, storage, control, and analysis of raw vibration waveform data during normal operation, and vibration analysis and evaluation tools. A combination of these tools has a high potential for optimization of rotating equipment maintenance. (author)

  2. Axisymmetric vibrations of thin shells of revolution

    International Nuclear Information System (INIS)

    Suzuki, Katsuyoshi; Kikuchi, Norio; Kosawada, Tadashi; Takahashi, Shin

    1983-01-01

    The problem of free vibration of axisymmetric shells of revolution is important in connection with the design of pressure vessels, chemical equipment, aircrafts, structures and so on. In this study, the axisymmetrical vibration of a thin shell of revolution having a constant curvature in meridian direction was analyzed by thin shell theory. First, the Lagrangian during one period of the vibration of a shell of revolution was determined by the primary approximate theory of Love, and the vibration equations and boundary conditions were derived from its stopping condition. The vibration equations were strictly analyzed by using the series solution. The basic equations for the strain and strain energy of a shell were based on those of Novozhilov. As the examples of numerical calculation, the natural frequency and vibration mode of the symmetrical shells of revolution fixed at both ends and supported at both ends were determined, and their characteristics were clarified. The theory and the numerical calculation ore described. Especially in the frequency curves, the waving phenomena were observed frequently, which were not seen in non-axisymmetric vibration, accordingly also the vibration mode changed in complex state on the frequency curves of same order. The numerical calculation was carried out in the large computer center in Tohoku University. (Kako, I.)

  3. The region of influence of significant defects and the mechanical vibrations of linear elastic solids

    International Nuclear Information System (INIS)

    Suarez Antola, R.

    2004-12-01

    The presence of cracks, voids or fields of pores, and their growth under applied forces or environmental actions, can produce a meaningful lowering in the proper frequencies of normal modes of mechanical vibration in machines and 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. This region of influence is derived from the relation between the stress field of flawed components in machines or structures, and the elastic energy released from a suitable reference state, due to the presence of significant defects in the above mentioned mechanical components. An approximate analytical expression is obtained, which relates the relative variation in the square of mode s proper frequency with position, size, shape and orientation of defects in mode displacement field. Some simple mathematical models of machine and structural elements with cracks or fields of pores are considered as examples. The connections between the relative lowering in the square of mode s proper frequency and the stress intensity factor of a defect are discussed : the concept of region of influence of a defect is used as a bridge between (low frequency and low amplitude) vibration dynamics and linear elastic fracture mechanics. Some limitations of the present approach are discussed as well as the possibility of applying the region of influence of defects to the damping of normal modes of vibration

  4. Studies of interstellar vibrationally-excited molecules

    International Nuclear Information System (INIS)

    Ziurys, L.M.; Snell, R.L.; Erickson, N.R.

    1986-01-01

    Several molecules thus far have been detected in the ISM in vibrationally-excited states, including H 2 , SiO, HC 3 N, and CH 3 CN. In order for vibrational-excitation to occur, these species must be present in unusually hot and dense gas and/or where strong infrared radiation is present. In order to do a more thorough investigation of vibrational excitation in the interstellar medium (ISM), studies were done of several mm-wave transitions originating in excited vibrational modes of HCN, an abundant interstellar molecule. Vibrationally-excited HCN was recently detected toward Orion-KL and IRC+10216, using a 12 meter antenna. The J=3-2 rotational transitions were detected in the molecule's lowest vibrational state, the bending mode, which is split into two separate levels, due to l-type doubling. This bending mode lies 1025K above ground state, with an Einstein A coefficient of 3.6/s. The J=3-2 line mode of HCN, which lies 2050K above ground state, was also observed toward IRC+10216, and subsequently in Orion-KL. Further measurements of vibrationally-excited HCN were done using a 14 meter telescope, which include the observations of the (0,1,0) and (0,2,0) modes towards Orion-KL, via their J=3-2 transitions at 265-267 GHz. The spectrum of the J=3-2 line in Orion taken with the 14 meter telescope, is shown, along with a map, which indicates that emission from vibrationally-excited HCN arises from a region probably smaller than the 14 meter telescope's 20 arcsec beam

  5. Conformational variability of the stationary phase survival protein E from Xylella fastidiosa revealed by X-ray crystallography, small-angle X-ray scattering studies, and normal mode analysis.

    Science.gov (United States)

    Machado, Agnes Thiane Pereira; Fonseca, Emanuella Maria Barreto; Reis, Marcelo Augusto Dos; Saraiva, Antonio Marcos; Santos, Clelton Aparecido Dos; de Toledo, Marcelo Augusto Szymanski; Polikarpov, Igor; de Souza, Anete Pereira; Aparicio, Ricardo; Iulek, Jorge

    2017-10-01

    Xylella fastidiosa is a xylem-limited bacterium that infects a wide variety of plants. Stationary phase survival protein E is classified as a nucleotidase, which is expressed when bacterial cells are in the stationary growth phase and subjected to environmental stresses. Here, we report four refined X-ray structures of this protein from X. fastidiosa in four different crystal forms in the presence and/or absence of the substrate 3'-AMP. In all chains, the conserved loop verified in family members assumes a closed conformation in either condition. Therefore, the enzymatic mechanism for the target protein might be different of its homologs. Two crystal forms exhibit two monomers whereas the other two show four monomers in the asymmetric unit. While the biological unit has been characterized as a tetramer, differences of their sizes and symmetry are remarkable. Four conformers identified by Small-Angle X-ray Scattering (SAXS) in a ligand-free solution are related to the low frequency normal modes of the crystallographic structures associated with rigid body-like protomer arrangements responsible for the longitudinal and symmetric adjustments between tetramers. When the substrate is present in solution, only two conformers are selected. The most prominent conformer for each case is associated to a normal mode able to elongate the protein by moving apart two dimers. To our knowledge, this work was the first investigation based on the normal modes that analyzed the quaternary structure variability for an enzyme of the SurE family followed by crystallography and SAXS validation. The combined results raise new directions to study allosteric features of XfSurE protein. © 2017 Wiley Periodicals, Inc.

  6. 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

  7. Dark current studies on a normal-conducting high-brightness very-high-frequency electron gun operating in continuous wave mode

    Directory of Open Access Journals (Sweden)

    R. Huang

    2015-01-01

    Full Text Available We report on measurements and analysis of a field-emitted electron current in the very-high-frequency (VHF gun, a room temperature rf gun operating at high field and continuous wave (CW mode at the Lawrence Berkeley National Laboratory (LBNL. The VHF gun is the core of the Advanced Photo-injector Experiment (APEX at LBNL, geared toward the development of an injector for driving the next generation of high average power x-ray free electron lasers. High accelerating fields at the cathode are necessary for the high-brightness performance of an electron gun. When coupled with CW operation, such fields can generate a significant amount of field-emitted electrons that can be transported downstream the accelerator forming the so-called “dark current.” Elevated levels of a dark current can cause radiation damage, increase the heat load in the downstream cryogenic systems, and ultimately limit the overall performance and reliability of the facility. We performed systematic measurements that allowed us to characterize the field emission from the VHF gun, determine the location of the main emitters, and define an effective strategy to reduce and control the level of dark current at APEX. Furthermore, the energy spectra of isolated sources have been measured. A simple model for energy data analysis was developed that allows one to extract information on the emitter from a single energy distribution measurement.

  8. Multi-modal vibration amplitudes of taut inclined cables due to direct and/or parametric excitation

    Science.gov (United States)

    Macdonald, J. H. G.

    2016-02-01

    Cables are often prone to potentially damaging large amplitude vibrations. The dynamic excitation may be from external loading or motion of the cable ends, the latter including direct excitation, normally from components of end motion transverse to the cable, and parametric excitation induced by axial components of end motion causing dynamic tension variations. Geometric nonlinearity can be important, causing stiffening behaviour and nonlinear modal coupling. Previous analyses of the vibrations, often neglecting sag, have generally dealt with direct and parametric excitation separately or have reverted to numerical solutions of the responses. Here a nonlinear cable model is adopted, applicable to taut cables such as on cable-stayed bridges, that allows for cable inclination, small sag (such that the vibration modes are similar to those of a taut string), multiple modes in both planes and end motion and/or external forcing close to any natural frequency. Based on the method of scaling and averaging it is found that, for sinusoidal inputs and positive damping, non-zero steady state responses can only occur in the modes in each plane with natural frequencies close to the excitation frequency and those with natural frequencies close to half this frequency. Analytical solutions, in the form of non-dimensional polynomial equations, are derived for the steady state vibration amplitudes in up to three modes simultaneously: the directly excited mode, the corresponding nonlinearly coupled mode in the orthogonal plane and a parametrically excited mode with half the natural frequency. The stability of the solutions is also identified. The outputs of the equations are consistent with previous results, where available. Example results from the analytical solutions are presented for a typical inclined bridge cable subject to vertical excitation of the lower end, and they are validated by numerical integration of the equations of motion and against some previous experimental

  9. Hot Ground Vibration Tests

    Data.gov (United States)

    National Aeronautics and Space Administration — Ground vibration tests or modal surveys are routinely conducted to support flutter analysis for subsonic and supersonic vehicles. However, vibration testing...

  10. Defect hydrogen vibrations in various phases deuterium ice

    International Nuclear Information System (INIS)

    Li, J.C.; Wang, Y.; Dong, S.L.; Zhang, P.; Kolesnikov, A.I.

    2003-01-01

    The inelastic incoherent neutron scattering spectra of D 2 O mixed with a small amount of H 2 O (5% by weight) high density amorphous (hda) ice, ice-VIII, and ice-II have been measured on HET spectrometer at Rutherford Appleton Laboratory (UK). The hydrogen atom in D 2 O ice lattice has three distinguished vibrations: two modes normal to the O---H bond at lower frequency and a stretching mode along the O-H bond at higher frequency. For different ice phases these frequencies are different, it was found that the lower defect mode is at ∼97 meV for ice-II, at about 95 meV for hda-ice and ice-VIII, and they are all lower than the value of 105 meV for ice-Ih. The O-H stretching modes are at 415 meV for ice-II, at 418 meV for hda-ice, and at 425 meV for ice-VIII, which all are much larger than the value for ice-Ih, 406 meV. It was also found that O-D stretching modes in D 2 O ice-VIII is centered at ∼320 meV which is significantly higher than the corresponding value of ∼305 meV for ice-Ih

  11. Vertical vibration and shape oscillation of acoustically levitated water drops

    International Nuclear Information System (INIS)

    Geng, D. L.; Xie, W. J.; Yan, N.; Wei, B.

    2014-01-01

    We present the vertical harmonic vibration of levitated water drops within ultrasound field. The restoring force to maintain such a vibration mode is provided by the resultant force of acoustic radiation force and drop gravity. Experiments reveal that the vibration frequency increases with the aspect ratio for drops with the same volume, which agrees with the theoretical prediction for those cases of nearly equiaxed drops. During the vertical vibration, the floating drops undergo the second order shape oscillation. The shape oscillation frequency is determined to be twice the vibration frequency.

  12. Vertical vibration and shape oscillation of acoustically levitated water drops

    Energy Technology Data Exchange (ETDEWEB)

    Geng, D. L.; Xie, W. J.; Yan, N.; Wei, B., E-mail: bbwei@nwpu.edu.cn [Department of Applied Physics, Northwestern Polytechnical University, Xi' an 710072 (China)

    2014-09-08

    We present the vertical harmonic vibration of levitated water drops within ultrasound field. The restoring force to maintain such a vibration mode is provided by the resultant force of acoustic radiation force and drop gravity. Experiments reveal that the vibration frequency increases with the aspect ratio for drops with the same volume, which agrees with the theoretical prediction for those cases of nearly equiaxed drops. During the vertical vibration, the floating drops undergo the second order shape oscillation. The shape oscillation frequency is determined to be twice the vibration frequency.

  13. 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...

  14. Vibrational and Thermal Properties of Oxyanionic Crystals

    Science.gov (United States)

    Korabel'nikov, D. V.

    2018-03-01

    The vibrational and thermal properties of dolomite and alkali chlorates and perchlorates were studied in the gradient approximation of density functional theory using the method of a linear combination of atomic orbitals (LCAO). Long-wave vibration frequencies, IR and Raman spectra, and mode Gruneisen parameters were calculated. Equation-of-state parameters, thermodynamic potentials, entropy, heat capacity, and thermal expansion coefficient were also determined. The thermal expansion coefficient of dolomite was established to be much lower than for chlorates and perchlorates. The temperature dependence of the heat capacity at T > 200 K was shown to be generally governed by intramolecular vibrations.

  15. Probabilistic structural damage identification based on vibration data

    International Nuclear Information System (INIS)

    Hao, H.; Xia, Y.

    2001-01-01

    Vibration-based methods are being rapidly developed and applied to detect structural damage in civil, mechanical and aerospace engineering communities in the last two decades. But uncertainties existing in the structural model and measured vibration data might lead to unreliable results. This paper will present some recent research results to tackle the above mentioned uncertainty problems. By assuming each of the FE model parameters and measured vibration data as a normally distributed random variable, a probabilistic damage detection procedure is developed based on perturbation method and validated by Monte Carlo simulation technique. With this technique, the damage probability of each structural element can be determined. The method developed has been verified by applying it to identify the damages of laboratory tested structures. It was proven that, as compared to the deterministic damage identification method, the present method can not only reduce the possibility of false identification, but also give the identification results in terms of probability. which is deemed more realistic and practical in detecting possible damages in a structure. It has also been found that the modal data included in damage identification analysis have a great influence on the identification results. With a sensitivity study, an optimal measurement set for damage detection is determined. This set includes the optimal measurement locations and the most appropriate modes that should be used in the damage identification analysis. Numerical results indicated that if the optimal set determined in a pre-analysis is used in the damage detection better results will be achieved. (author)

  16. High Frequency Longitudinal Damped Vibrations of a Cylindrical Ultrasonic Transducer

    Directory of Open Access Journals (Sweden)

    Mihai Valentin Predoi

    2014-01-01

    Full Text Available Ultrasonic piezoelectric transducers used in classical nondestructive testing are producing in general longitudinal vibrations in the MHz range. A simple mechanical model of these transducers would be very useful for wave propagation numerical simulations, avoiding the existing complicated models in which the real components of the transducer are modeled by finite elements. The classical model for longitudinal vibrations is not adequate because the generated longitudinal wave is not dispersive, the velocity being the same at any frequency. We have adopted the Rayleigh-Bishop model, which avoids these limitations, even if it is not converging to the first but to the second exact longitudinal mode in an elastic rod, as obtained from the complicated Pochhammer-Chree equations. Since real transducers have significant vibrations damping, we have introduced a damping term in the Rayleigh-Bishop model, increasing the imaginary part and keeping almost identical real part of the wavenumber. Common transducers produce amplitude modulated signals, completely attenuated after several periods. This can be modeled by two close frequencies, producing a “beat” phenomenon, superposed on the high damping. For this reason, we introduce a two-rod Rayleigh-Bishop model with damping. Agreement with measured normal velocity on the transducer free surface is encouraging for continuation of the research.

  17. Application of comparative vibrational spectroscopic and mechanistic studies in analysis of fisetin structure.

    Science.gov (United States)

    Dimitrić Marković, Jasmina M; Marković, Zoran S; Milenković, Dejan; Jeremić, Svetlana

    2011-12-01

    This paper addresses experimental and theoretical research in fisetin (2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one) structure by means of experimental IR and Raman spectroscopies and mechanistic calculations. Density Functional Theory calculations, with M05-2X functional and the 6-311+G (2df, p) basis set implemented in the Gaussian 09 package, are performed with the aim to support molecular structure, vibrational bands' positions and their intensities. Potential energy distribution (PED) values and the description of the largest vibrational contributions to the normal modes are calculated. The most intense bands appear in the 1650-1500 cm(-1) wavenumber region. This region involves a combination of the CO, C2C3 and C-C stretching vibrational modes. Most of the bands in the 1500-1000 cm(-1) range involve C-C stretching, O-C stretching and in-plane C-C-H, C-O-H, C-C-O and C-C-C bending vibrations of the rings. The region below 1000 cm(-1) is characteristic to the combination of in plane C-C-C-H, H-C-C-H, C-C-C-C, C-C-O-C and out of plane O-C-C-C, C-C-O-C, C-C-C-C torsional modes. The Raman spectra of baicalein and quercetin were used for qualitative comparison with fisetin spectrum and verification of band assignments. The applied detailed vibrational spectral analysis and the assignments of the bands, proposed on the basis of fundamentals, reproduced the experimental results with high degree of accuracy. Copyright © 2011 Elsevier B.V. All rights reserved.

  18. Application of comparative vibrational spectroscopic and mechanistic studies in analysis of fisetin structure

    Science.gov (United States)

    Dimitrić Marković, Jasmina M.; Marković, Zoran S.; Milenković, Dejan; Jeremić, Svetlana

    2011-12-01

    This paper addresses experimental and theoretical research in fisetin (2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one) structure by means of experimental IR and Raman spectroscopies and mechanistic calculations. Density Functional Theory calculations, with M05-2X functional and the 6-311+G (2df, p) basis set implemented in the Gaussian 09 package, are performed with the aim to support molecular structure, vibrational bands' positions and their intensities. Potential energy distribution (PED) values and the description of the largest vibrational contributions to the normal modes are calculated. The most intense bands appear in the 1650-1500 cm -1 wavenumber region. This region involves a combination of the C dbnd O, C2 dbnd C3 and C-C stretching vibrational modes. Most of the bands in the 1500-1000 cm -1 range involve C-C stretching, O-C stretching and in-plane C-C-H, C-O-H, C-C-O and C-C-C bending vibrations of the rings. The region below 1000 cm -1 is characteristic to the combination of in plane C-C-C-H, H-C-C-H, C-C-C-C, C-C-O-C and out of plane O-C-C-C, C-C-O-C, C-C-C-C torsional modes. The Raman spectra of baicalein and quercetin were used for qualitative comparison with fisetin spectrum and verification of band assignments. The applied detailed vibrational spectral analysis and the assignments of the bands, proposed on the basis of fundamentals, reproduced the experimental results with high degree of accuracy.

  19. Electromagnetic Vibration Energy Harvesting for Railway Applications

    Directory of Open Access Journals (Sweden)

    Bradai S.

    2018-01-01

    Full Text Available Safe localization of trains via GPS and wireless sensors is essential for railway traffic supervision. Especially for freight trains and because normally no power source is available on the wagons, special solutions for energy supply have to be developed based on energy harvesting techniques. Since vibration is available in this case, it provides an interesting source of energy. Nevertheless, in order to have an efficient design of the harvesting system, the existing vibration needs to be investigated. In this paper, we focus on the characterization of vibration parameters in railway application. We propose an electromagnetic vibration converter especially developed to this application. Vibration profiles from a train traveling between two German cities were measured using a data acquisition system installed on the train’s wagon. Results show that the measured profiles present multiple frequency signals in the range of 10 to 50 Hz and an acceleration of up to 2 g. A prototype for a vibration converter is designed taking into account the real vibration parameters, robustness and integrability requirements. It is based on a moving coil attached to a mechanical spring. For the experimental emulation of the train vibrations, a shaker is used as an external artificial vibration source controlled by a laser sensor in feedback. A maximum voltage of 1.7 V peak to peak which corresponds to a maximum of 10 mW output power where the applied excitation frequency is close to the resonant frequency of the converter which corresponds to 27 Hz.

  20. MO-DE-207A-09: Low-Dose CT Image Reconstruction Via Learning From Different Patient Normal-Dose Images

    Energy Technology Data Exchange (ETDEWEB)

    Han, H; Xing, L [Stanford University, Palo Alto, CA (United States); Liang, Z [Stony Brook University, Stony Brook, NY (United States)

    2016-06-15

    Purpose: To investigate a novel low-dose CT (LdCT) image reconstruction strategy for lung CT imaging in radiation therapy. Methods: The proposed approach consists of four steps: (1) use the traditional filtered back-projection (FBP) method to reconstruct the LdCT image; (2) calculate structure similarity (SSIM) index between the FBP-reconstructed LdCT image and a set of normal-dose CT (NdCT) images, and select the NdCT image with the highest SSIM as the learning source; (3) segment the NdCT source image into lung and outside tissue regions via simple thresholding, and adopt multiple linear regression to learn high-order Markov random field (MRF) pattern for each tissue region in the NdCT source image; (4) segment the FBP-reconstructed LdCT image into lung and outside regions as well, and apply the learnt MRF prior in each tissue region for statistical iterative reconstruction of the LdCT image following the penalized weighted least squares (PWLS) framework. Quantitative evaluation of the reconstructed images was based on the signal-to-noise ratio (SNR), local binary pattern (LBP) and histogram of oriented gradients (HOG) metrics. Results: It was observed that lung and outside tissue regions have different MRF patterns predicted from the NdCT. Visual inspection showed that our method obviously outperformed the traditional FBP method. Comparing with the region-smoothing PWLS method, our method has, in average, 13% increase in SNR, 15% decrease in LBP difference, and 12% decrease in HOG difference from reference standard for all regions of interest, which indicated the superior performance of the proposed method in terms of image resolution and texture preservation. Conclusion: We proposed a novel LdCT image reconstruction method by learning similar image characteristics from a set of NdCT images, and the to-be-learnt NdCT image does not need to be scans from the same subject. This approach is particularly important for enhancing image quality in radiation therapy.

  1. MO-DE-207A-09: Low-Dose CT Image Reconstruction Via Learning From Different Patient Normal-Dose Images

    International Nuclear Information System (INIS)

    Han, H; Xing, L; Liang, Z

    2016-01-01

    Purpose: To investigate a novel low-dose CT (LdCT) image reconstruction strategy for lung CT imaging in radiation therapy. Methods: The proposed approach consists of four steps: (1) use the traditional filtered back-projection (FBP) method to reconstruct the LdCT image; (2) calculate structure similarity (SSIM) index between the FBP-reconstructed LdCT image and a set of normal-dose CT (NdCT) images, and select the NdCT image with the highest SSIM as the learning source; (3) segment the NdCT source image into lung and outside tissue regions via simple thresholding, and adopt multiple linear regression to learn high-order Markov random field (MRF) pattern for each tissue region in the NdCT source image; (4) segment the FBP-reconstructed LdCT image into lung and outside regions as well, and apply the learnt MRF prior in each tissue region for statistical iterative reconstruction of the LdCT image following the penalized weighted least squares (PWLS) framework. Quantitative evaluation of the reconstructed images was based on the signal-to-noise ratio (SNR), local binary pattern (LBP) and histogram of oriented gradients (HOG) metrics. Results: It was observed that lung and outside tissue regions have different MRF patterns predicted from the NdCT. Visual inspection showed that our method obviously outperformed the traditional FBP method. Comparing with the region-smoothing PWLS method, our method has, in average, 13% increase in SNR, 15% decrease in LBP difference, and 12% decrease in HOG difference from reference standard for all regions of interest, which indicated the superior performance of the proposed method in terms of image resolution and texture preservation. Conclusion: We proposed a novel LdCT image reconstruction method by learning similar image characteristics from a set of NdCT images, and the to-be-learnt NdCT image does not need to be scans from the same subject. This approach is particularly important for enhancing image quality in radiation therapy.

  2. Investigations on response time of magnetorheological elastomer under compression mode

    Science.gov (United States)

    Zhu, Mi; Yu, Miao; Qi, Song; Fu, Jie

    2018-05-01

    For efficient fast control of vibration system with magnetorheological elastomer (MRE)-based smart device, the response time of MRE material is the key parameter which directly affects the control performance of the vibration system. For a step coil current excitation, this paper proposed a Maxwell behavior model with time constant λ to describe the normal force response of MRE, and the response time of MRE was extracted through the separation of coil response time. Besides, the transient responses of MRE under compression mode were experimentally investigated, and the effects of (i) applied current, (ii) particle distribution and (iii) compressive strain on the response time of MRE were addressed. The results revealed that the three factors can affect the response characteristic of MRE quite significantly. Besides the intrinsic importance for contributing to the response evaluation and effective design of MRE device, this study may conduce to the optimal design of controller for MRE control system.

  3. Localized Surface Plasmons in Vibrating Graphene Nanodisks

    DEFF Research Database (Denmark)

    Wang, Weihua; Li, Bo-Hong; Stassen, Erik

    2016-01-01

    in graphene disks have the additional benefit to be highly tunable via electrical stimulation. Mechanical vibrations create structural deformations in ways where the excitation of localized surface plasmons can be strongly modulated. We show that the spectral shift in such a scenario is determined...... by a complex interplay between the symmetry and shape of the modal vibrations and the plasmonic mode pattern. Tuning confined modes of light in graphene via acoustic excitations, paves new avenues in shaping the sensitivity of plasmonic detectors, and in the enhancement of the interaction with optical emitters...

  4. Vibrational spectral investigation on xanthine and its derivatives--theophylline, caffeine and theobromine.

    Science.gov (United States)

    Gunasekaran, S; Sankari, G; Ponnusamy, S

    2005-01-01

    A normal coordinate analysis has been carried out on four compounds having a similar ring structure with different side chain substitutions, which are xanthine, caffeine, theophylline, and theobromine. Xanthine is chemically known as 2,6-dihydroxy purine. Caffeine, theophylline and theobromine are methylated xanthines. Considering the methyl groups as point mass, the number of normal modes of vibrations can be distributed as Gamma(vib) = 27 A' + 12 A" based on C(s) point group symmetry associated with the structures. In the present work 15 A' and 12 A'' normal modes are considered. A new set of orthonormal symmetry co-ordinates have been constructed. Wilson's F-G matrix method has been adopted for the normal coordinate analysis. A satisfactory vibrational band assignment has been made by employing the FTIR and FT Raman spectra of the compounds. The potential energy distribution is calculated with the arrived values of the force constants and hence the agreement of the frequency assignment has been checked.

  5. VIBRATION ANALYSIS OF TURBINE BASED ON FLUID-STRUCTURE COUPLING

    Institute of Scientific and Technical Information of China (English)

    LIU Demin; LIU Xiaobing

    2008-01-01

    The vibration of a Francis turbine is analyzed with the additional quality matrix method based on fluid-structure coupling (FSC). Firstly, the vibration frequency and mode of blade and runner in air and water are calculated. Secondly, the influences to runner frequency domain by large flow, small flow and design flow working conditions are compared. Finally the influences to runner modes by centrifugal forces under three rotating speeds of 400 r/min, 500 r/min and 600 r/min are compared. The centrifugal force and small flow working condition have greatly influence on the vibration of small runner. With the increase of centrifugal force, the vibration frequency of the runner is sharply increased. Some order frequencies are even close to the runner natural frequency in the air. Because the low frequency vibration will severely damage the stability of the turbine, low frequency vibration of units should be avoided as soon as possible.

  6. Laser Covariance Vibrometry for Unsymmetrical Mode Detection

    National Research Council Canada - National Science Library

    Kobold, Michael C

    2006-01-01

    Simulated cross - spectral covariance (CSC) from optical return from simulated surface vibration indicates CW phase modulation may be an appropriate phenomenology for adequate classification of vehicles by structural mode...

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

    Science.gov (United States)

    Xu, Long; Lin, Shuyu; Hu, Wenxu

    2011-10-01

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

  8. Study of core support barrel vibration monitoring using ex-core neutron noise analysis and fuzzy logic algorithm

    Directory of Open Access Journals (Sweden)

    Robby Christian

    2015-03-01

    A distinct pattern of phase differences was observed for each of the vibration models. The developed fuzzy logic module demonstrated successful recognition of the vibration frequencies, modes, orders, directions, and phase differences within 0.4 ms for the beam and shell mode vibrations.

  9. Hand-Arm vibration assessment among tiller operator

    Directory of Open Access Journals (Sweden)

    P. Nassiri

    2013-08-01

    Result: Results of the present study indicated that in all measured situations, exposure to hand arm vibration was higher than the standard limit suggested by Iranian occupational health committee and there was risk of vibration-induced disorders. The maximum exposure to vibration is in plowing ground. Exposure to hand arm vibration in three modes of plowing, transmission and natural, were respectively 16.95, 14.16 and 8.65 meters per second squared. Additionally, in all situations, vibration exposure was highest in the X-axis in comparison with Z- and Y-axes. .Conclusion: This study emphasizes on the need to provide intervention and controlling and managing strategies in order to eliminate or reduce vibration transmitted from tiller to operators hand and arm and also prevent to serious problems including neurovascular disorders, discomfort and white finger syndrome. Meanwhile, more studies are necessary to identify the sources of vibration on different models of tiller.

  10. [Occupational standing vibration rate and vibrational diseases].

    Science.gov (United States)

    Karnaukh, N G; Vyshchipan, V F; Haumenko, B S

    2003-12-01

    Occupational standing vibration rate is proposed in evaluating a degree of impairment of an organism activity. It will allow more widely to introduce specification of quality and quantity in assessment of the development of vibrational disease. According out-patient and inpatient obtained data we have established criterial values of functional changes in accordance with accumulated occupational standing vibration rate. The nomogram was worked out for defining a risk of the development of vibrational disease in mine workers. This nomogram more objectively can help in diagnostics of the disease.

  11. Normal mode calculations of trigonal selenium

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; McMurry, H. L.

    1980-01-01

    The phonon dispersion relations for trigonal selenium have been calculated on the basis of a short range potential field model. Electrostatic long range forces have not been included. The force field is defined in terms of symmetrized coordinates which reflect partly the symmetry of the space group...

  12. Mode damping in a commensurate monolayer solid

    DEFF Research Database (Denmark)

    Bruch, Ludwig Walter; Hansen, Flemming Yssing

    1997-01-01

    with an elastic-continuum theory of the response of modes of either parallel or perpendicular polarization for a spherical adsorbate on a hexagonal substrate. The results are applied to the discussion of computer simulations and inelastic atomic-scattering experiments for adsorbates on graphite. The extreme...... of substrate modes with strong anomalous dispersion, and enables a semiquantitative account of observed avoided crossings of the adlayer perpendicular vibration mode and the substrate Rayleigh mode....

  13. Vibration of imperfect rotating disk

    Directory of Open Access Journals (Sweden)

    Půst L.

    2011-12-01

    Full Text Available This study is concerned with the theoretical and numerical calculations of the flexural vibrations of a bladed disk. The main focus of this study is to elaborate the basic background for diagnostic and identification methods for ascertaining the main properties of the real structure or an experimental model of turbine disks. The reduction of undesirable vibrations of blades is proposed by using damping heads, which on the experimental model of turbine disk are applied only on a limited number of blades. This partial setting of damping heads introduces imperfection in mass, stiffness and damping distribution on the periphery and leads to more complicated dynamic properties than those of a perfect disk. Calculation of FEM model and analytic—numerical solution of disk behaviour in the limited (two modes frequency range shows the splitting of resonance with an increasing speed of disk rotation. The spectrum of resonance is twice denser than that of a perfect disk.

  14. 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.

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

    Science.gov (United States)

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

    2014-08-07

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

  16. Natural vibration experimental analysis of Novovoronezhskaya NPP main building

    International Nuclear Information System (INIS)

    Zoubkov, D.; Isaikin, A.; Shablinsky, G.; Lopanchuk, A.; Nefedov, S.

    2005-01-01

    1. Natural vibration frequencies are main characteristics of buildings and structures which allow to give integral estimation of their in-service state. Even relatively small changes of these frequencies as compared to the initially registered values point to serious defects of building structures. In this paper we analyzed natural vibration frequencies and natural modes of the main building (MB) of Novovoronezhskaya NPP operating nuclear unit with WWER-440 type reactor. The MB consists of a reactor compartment (RC), a machine room (MR) and an electric device (ED) unit positioned in between. 2. Natural vibration frequencies and natural modes of the MB were determined experimentally by analyzing its microvibrations caused by operation of basic equipment (turbines, pumps, etc.). Microvibrations of the main building were measured at 12 points. At each point measurements were carried out along two or three mutually perpendicular vibration directions. Spectral analysis of vibration records has been conducted. Identification of natural vibration frequencies was carried out on the basis of the spectral peaks and plotted vibration modes (taking into account operating frequencies of the basic equipment of the power generating unit). On the basis of the measurement results three transverse modes and corresponding natural vibration frequencies of the MB, one longitudinal mode and corresponding natural vibration frequency of the MB and two natural frequencies of vertical vibrations of RC and MR floor trusses (1st and 2nd symmetric forms) were determined. Dynamic characteristics of the main building of NV NPP resulting from full scale researches are supposed to be used as one of building structure stability criteria. (authors)

  17. 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

  18. Interfacial instabilities in vibrated fluids

    Science.gov (United States)

    Porter, Jeff; Laverón-Simavilla, Ana; Tinao Perez-Miravete, Ignacio; Fernandez Fraile, Jose Javier

    2016-07-01

    Vibrations induce a range of different interfacial phenomena in fluid systems depending on the frequency and orientation of the forcing. With gravity, (large) interfaces are approximately flat and there is a qualitative difference between vertical and horizontal forcing. Sufficient vertical forcing produces subharmonic standing waves (Faraday waves) that extend over the whole interface. Horizontal forcing can excite both localized and extended interfacial phenomena. The vibrating solid boundaries act as wavemakers to excite traveling waves (or sloshing modes at low frequencies) but they also drive evanescent bulk modes whose oscillatory pressure gradient can parametrically excite subharmonic surface waves like cross-waves. Depending on the magnitude of the damping and the aspect ratio of the container, these locally generated surfaces waves may interact in the interior resulting in temporal modulation and other complex dynamics. In the case where the interface separates two fluids of different density in, for example, a rectangular container, the mass transfer due to vertical motion near the endwalls requires a counterflow in the interior region that can lead to a Kelvin-Helmholtz type instability and a ``frozen wave" pattern. In microgravity, the dominance of surface forces favors non-flat equilibrium configurations and the distinction between vertical and horizontal applied forcing can be lost. Hysteresis and multiplicity of solutions are more common, especially in non-wetting systems where disconnected (partial) volumes of fluid can be established. Furthermore, the vibrational field contributes a dynamic pressure term that competes with surface tension to select the (time averaged) shape of the surface. These new (quasi-static) surface configurations, known as vibroequilibria, can differ substantially from the hydrostatic state. There is a tendency for the interface to orient perpendicular to the vibrational axis and, in some cases, a bulge or cavity is induced

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

    Science.gov (United States)

    Ryabov, Victor; Yartsev, Boris

    2018-05-01

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

  20. Nuclear-Mechanical Coupling: Small Amplitude Mechanical Vibrations and High Amplitude Power Oscillations in Nuclear Reactors

    International Nuclear Information System (INIS)

    Suarez Antola, R.

    2008-11-01

    The cores of nuclear reactors, including its structural parts and cooling fluids, are complex mechanical systems able to vibrate in a set of normal modes and frequencies, if suitable perturbed. The cyclic variations in the strain state of the core materials may produce changes in density. Changes in density modify the reactivity. Changes in reactivity modify thermal power. Modifications in thermal power produce variations in temperature fields. Variations in temperature produce variations in strain due to thermal-elastic effects. If the variation of the temperature field is fast enough and if the Doppler Effect and other stabilizing prompt effects in the fuel are weak enough, a fast oscillatory instability could be produced, coupled with mechanical vibrations of small amplitude. A recently constructed, simple mathematical model of nuclear reactor kinetics, that improves the one due to A.S. Thompson, is reviewed. It was constructed in order to study, in a first approximation, the stability of the reactor: a nonlinear nuclear-thermal oscillator (that corresponds to reactor point kinetics with thermal-elastic feedback and with frozen delayed neutron effects) is coupled nonlinearly with a linear mechanical-thermal oscillator (that corresponds to the first normal mode of mechanical vibrations excited by thermo-elastic effects). This mathematical model is studied here from the standpoint of mechanical vibrations. It is shown how, under certain conditions, a suitable mechanical perturbation could elicit fast and growing oscillatory instabilities in the reactor power. Applying the asymptotic method due to Krylov, Bogoliubov and Mitropolsky, analytical formulae that may be used in the calculation of the time varying amplitude and phase of the mechanical oscillations are given, as functions of the mechanical, thermal and nuclear parameters of the reactor. The consequences for the mechanical integrity of the reactor are assessed. Some conditions, mainly, but not exclusively

  1. Fourier transform infrared and FT-Raman spectra, assignment, ab initio, DFT and normal co-ordinate analysis of 2-chloro-4-methylaniline and 2-chloro-6-methylaniline.

    Science.gov (United States)

    Arjunan, V; Mohan, S

    2009-03-01

    The Fourier transform infrared (FTIR) and FT-Raman spectra of 2-chloro-4-methylaniline and 2-chloro-6-methylaniline have been measured in the range 4000-400 and 4000-100cm(-1), respectively. Utilising the observed FTIR and FT-Raman data, a complete vibrational assignment and analysis of the fundamental modes of the compounds were carried out. The vibrational frequency which were determined experimentally are compared with those obtained theoretically from ab initio HF and DFT gradient calculations employing the HF/6-31G(d,p) and B3LYP/6-31G(d,p) methods for optimised geometries. The geometries and normal modes of vibration obtained from the HF and DFT methods are in good agreement with the experimental data. The normal co-ordinate analysis was also carried out on the basis of ab initio force fields utilising Wilson's FG matrix method. The manifestations of NH-pi interactions and the influence of bulky chlorine and methyl group on the vibrational modes of the amino group are investigated.

  2. Vibrational relaxation and energy transfer of matrix isolated HCl and DCl

    Energy Technology Data Exchange (ETDEWEB)

    Wiesenfeld, J.M.

    1977-12-01

    Vibrational kinetic and spectroscopic studies have been performed on matrix-isolated HCl and DCl between 9 and 20 K. Vibrational relaxation rates for v = 2 and v = 1 were measured by a tunable infrared laser-induced, time-resolved fluorescence technique. In an Ar matrix, vibrational decay times are faster than radiative and it is found that HCl relaxes about 35 times more rapidly than CCl, in spite of the fact that HCl must transfer more energy to the lattice than DCl. This result is explained by postulating that the rate-determining step for vibrational relaxation produces a highly rotationally excited guest in a V yield R step; rotational relaxation into lattice phonons follows rapidly. HCl v = 1, but not v = 2, excitation rapidly diffuses through the sample by a resonant dipole-dipole vibrational energy transfer process. Molecular complexes, and in particular the HCl dimer, relax too rapidly for direct observation, less than or approximately 1 ..mu..s, and act as energy sinks in the energy diffusion process. The temperature dependence for all these processes is weak--less than a factor of two between 9 and 20 K. Vibrational relaxation of HCl in N/sub 2/ and O/sub 2/ matrices is unobservable, presumably due to rapid V yield V transfer to the host. A V yield R binary collision model for relaxation in solids is successful in explaining the HCl(DCl)/Ar results as well as results of other experimenters. The model considers relaxation to be the result of ''collisions'' due to molecular motion in quantized lattice normal modes--gas phase potential parameters can fit the matrix kinetic data.

  3. Vibrational relaxation and energy transfer of matrix isolated HCl and DCl

    International Nuclear Information System (INIS)

    Wiesenfeld, J.M.

    1977-12-01

    Vibrational kinetic and spectroscopic studies have been performed on matrix-isolated HCl and DCl between 9 and 20 K. Vibrational relaxation rates for v = 2 and v = 1 were measured by a tunable infrared laser-induced, time-resolved fluorescence technique. In an Ar matrix, vibrational decay times are faster than radiative and it is found that HCl relaxes about 35 times more rapidly than CCl, in spite of the fact that HCl must transfer more energy to the lattice than DCl. This result is explained by postulating that the rate-determining step for vibrational relaxation produces a highly rotationally excited guest in a V yield R step; rotational relaxation into lattice phonons follows rapidly. HCl v = 1, but not v = 2, excitation rapidly diffuses through the sample by a resonant dipole-dipole vibrational energy transfer process. Molecular complexes, and in particular the HCl dimer, relax too rapidly for direct observation, less than or approximately 1 μs, and act as energy sinks in the energy diffusion process. The temperature dependence for all these processes is weak--less than a factor of two between 9 and 20 K. Vibrational relaxation of HCl in N 2 and O 2 matrices is unobservable, presumably due to rapid V yield V transfer to the host. A V yield R binary collision model for relaxation in solids is successful in explaining the HCl(DCl)/Ar results as well as results of other experimenters. The model considers relaxation to be the result of ''collisions'' due to molecular motion in quantized lattice normal modes--gas phase potential parameters can fit the matrix kinetic data

  4. Vibrations and Eigenvalues

    Indian Academy of Sciences (India)

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

  5. Nonplanar tertiary amides in rigid chiral tricyclic dilactams. Peptide group distortions and vibrational optical activity.

    Science.gov (United States)

    Pazderková, Markéta; Profant, Václav; Hodačová, Jana; Sebestík, Jaroslav; Pazderka, Tomáš; Novotná, Pavlína; Urbanová, Marie; Safařík, Martin; Buděšínský, Miloš; Tichý, Miloš; Bednárová, Lucie; Baumruk, Vladimír; Maloň, Petr

    2013-08-22

    We investigate amide nonplanarity in vibrational optical activity (VOA) spectra of tricyclic spirodilactams 5,8-diazatricyclo[6,3,0,0(1,5)]undecan-4,9-dione (I) and its 6,6',7,7'-tetradeuterio derivative (II). These rigid molecules constrain amide groups to nonplanar geometries with twisted pyramidal arrangements of bonds to amide nitrogen atoms. We have collected a full range vibrational circular dichroism (VCD) and Raman optical activity (ROA) spectra including signals of C-H and C-D stretching vibrations. We report normal-mode analysis and a comparison of calculated to experimental VCD and ROA. The data provide band-to-band assignment and offer a possibility to evaluate roles of constrained nonplanar tertiary amide groups and rigid chiral skeletons. Nonplanarity shows as single-signed VCD and ROA amide I signals, prevailing the couplets expected to arise from the amide-amide interaction. Amide-amide coupling dominates amide II (mainly C'-N stretching, modified in tertiary amides by the absence of a N-H bond) transitions (strong couplet in VCD, no significant ROA) probably due to the close proximity of amide nitrogen atoms. At lower wavenumbers, ROA spectra exhibit another likely manifestation of amide nonplanarity, showing signals of amide V (δ(oop)(N-C) at ~570 cm(-1)) and amide VI (δ(oop)(C'═O) at ~700 cm(-1) and ~650 cm(-1)) vibrations.

  6. 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.

  7. Energy distribution in selected fragment vibrations in dissociation processes in polyatomic molecules

    International Nuclear Information System (INIS)

    Band, Y.B.; Freed, K.F.

    1977-01-01

    The full quantum theory of dissociation processes in polyatomic molecules is converted to a form enabling the isolation of a selected fragment vibration. This form enables the easy evaluation of the probability distribution for energy partitioning between this vibration and all other degrees of freedom that results from the sudden Franck--Condon rearrangement process. The resultant Franck--Condon factors involve the square of the one-dimensional overlap integral between effective oscillator wavefunctions and the wavefunctions for the selected fragment vibration, a form that resembles the simple golden rule model for polyatomic dissociation and reaction processes. The full quantum theory can, therefore, be viewed as providing both a rigorous justification for certain generic aspects of the simple golden rule model as well as providing a number of important generalizations thereof. Some of these involve dealing with initial bound state vibrational excitation, explicit molecule, fragment and energy dependence of the effective oscillator, and the incorporation of all isotopic dependence. In certain limiting situations the full quantum theory yields simple, readily usable analytic expressions for the frequency and equilibrium position of the effective oscillator. Specific applications are presented for the direct photodissociation of HCN, DCN, and CO 2 where comparisons between the full theory and the simple golden rule are presented. We also discuss the generalizations of the previous theory to enable the incorporation of effects of distortion in the normal modes as a function of the reaction coordinate on the repulsive potential energy surface

  8. Optical Control of Mechanical Mode-Coupling within a MoS2 Resonator in the Strong-Coupling Regime.

    Science.gov (United States)

    Liu, Chang-Hua; Kim, In Soo; Lauhon, Lincoln J

    2015-10-14

    Two-dimensional (2-D) materials including graphene and transition metal dichalcogenides (TMDs) are an exciting platform for ultrasensitive force and displacement detection in which the strong light-matter coupling is exploited in the optical control of nanomechanical motion. Here we report the optical excitation and displacement detection of a ∼ 3 nm thick MoS2 resonator in the strong-coupling regime, which has not previously been achieved in 2-D materials. Mechanical mode frequencies can be tuned by more than 12% by optical heating, and they exhibit avoided crossings indicative of strong intermode coupling. When the membrane is optically excited at the frequency difference between vibrational modes, normal mode splitting is observed, and the intermode energy exchange rate exceeds the mode decay rate by a factor of 15. Finite element and analytical modeling quantifies the extent of mode softening necessary to control intermode energy exchange in the strong coupling regime.

  9. Spent nuclear fuel system dynamic stability under normal conditions of transportation

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Hao; Wang, Jy-An John, E-mail: wangja@ornl.gov

    2016-12-15

    Highlights: • A conformational potential effect of fuel assembly contact interaction induced transient shock. • Complex vibration modes and vibration load intensity were observed from fuel assembly system. • The project was able to link the periodic transient shock to spent fuel fatigue strength reduction. - Abstract: In a horizontal layout of a spent nuclear fuel (SNF) assembly under normal conditions of transportation (NCT), the fuel assembly’s skeleton formed by guide tubes and spacer grids is the primary load bearing structure for carrying and transferring the vibration loads within an SNF assembly. Therefore, the integrity of guide tubes and spacer grids will dictate the vibration amplitude/intensity of the fuel assembly during transport, and must be considered when designing multipurpose purpose canister (MPC) for safe SNF transport. This paper investigates the SNF assembly deformation dynamics during normal vibration mode, as well as the transient shock mode inside the cask during NCT. Dynamic analyses were performed in the frequency domain to study frequency characteristic of the fuel assembly system and in the time domain to simulate the transient dynamic response of the fuel assembly. To further evaluate the intensity of contact interaction induced by the local contacts’ impact loading at the spacer grid, detailed models of the actual spring and dimples of the spacer grids were created. The impacts between the fuel rod and springs and dimples were simulated with a 20 g transient shock load. The associated contact interaction intensities, in terms of reaction forces, were estimated from the finite element analyses (FEA) results. The bending moment estimated from the resultant stress on the clad under 20 g transient shock can be used to define the loading in cyclic integrated reversible-bending fatigue tester (CIRFT) vibration testing for the equivalent condition. To estimate the damage potential of the transient shock to the SNF vibration

  10. 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.

  11. 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

  12. Structural Characteristics of Rotate Vector Reducer Free Vibration

    Directory of Open Access Journals (Sweden)

    Chuan Chen

    2017-01-01

    Full Text Available For RV reducer widely used in robots, vibration significantly affects its performance. A lumped parameter model is developed to investigate free vibration characteristics without and with gyroscopic effects. The dynamic model considers key factors affecting vibration such as involute and cycloid gear mesh stiffness, crankshaft bending stiffness, and bearing stiffness. For both nongyroscopic and gyroscopic systems, free vibrations are examined and compared with each other. Results reveal the specific structure of vibration modes for both systems, which results from symmetry structure of RV reducer. According to vibration of the central components, vibration modes of two systems can be classified into three types, rotational, translational, and planetary component modes. Different from nongyroscopic system, the eigenvalues with gyroscopic effects are complex-valued and speed-dependent. The eigenvalue for a range of carrier speeds is obtained by numerical simulation. Divergence and flutter instability is observed at speeds adjacent to critical speeds. Furthermore, the work studies effects of key factors, which include crankshaft eccentricity and the number of pins, on eigenvalues. Finally, experiment is performed to verify the effectiveness of the dynamic model. The research of this paper is helpful for the analysis on free vibration and dynamic design of RV reducer.

  13. Soft modes in the perceptron model for jamming.

    Science.gov (United States)

    Franz, Silvio

    I will show how a well known neural network model \\x9Dthe perceptro provides a simple solvable model of glassy behavior and jamming. The glassy minima of the energy function of this model can be studied in full analytic detail. This allows the identification of two kind of soft modes the first ones associated to the existence a marginal glass phase and a hierarchical structure of the energy landscape, the second ones associated to isostaticity and marginality of jamming. These results highlight the universality of the spectrum of normal modes in disordered systems, and open the way toward a detailed analytical understanding of the vibrational spectrum of low-temperature glasses. This work was supported by a Grant from the Simons Foundation (454941 to Silvio Franz).

  14. Nonlinear vibration of rectangular atomic force microscope cantilevers by considering the Hertzian contact theory

    Energy Technology Data Exchange (ETDEWEB)

    Sadeghi, A., E-mail: a_sadeghi@srbiau.ac.ir [Islamic Azad Univ., Dept. of Mechanical and Aerospace Engineering, Science and Research Branch, Tehran (Iran, Islamic Republic of); Zohoor, H. [Sharif Univ. of Technology, Center of Excellence in Design, Robotics and Automation, Tehran (Iran, Islamic Republic of); The Academy of Sciences if I.R. Iran (Iran, Islamic Republic of)

    2010-05-15

    The nonlinear flexural vibration for a rectangular atomic force microscope cantilever is investigated by using Timoshenko beam theory. In this paper, the normal and tangential tip-sample interaction forces are found from a Hertzian contact model and the effects of the contact position, normal and lateral contact stiffness, tip height, thickness of the beam, and the angle between the cantilever and the sample surface on the nonlinear frequency to linear frequency ratio are studied. The differential quadrature method is employed to solve the nonlinear differential equations of motion. The results show that softening behavior is seen for most cases and by increasing the normal contact stiffness, the frequency ratio increases for the first mode, but for the second mode, the situation is reversed. The nonlinear-frequency to linear-frequency ratio increases by increasing the Timoshenko beam parameter, but decreases by increasing the contact position for constant amplitude for the first and second modes. For the first mode, the frequency ratio decreases by increasing both of the lateral contact stiffness and the tip height, but increases by increasing the angle α between the cantilever and sample surface. (author)

  15. Review of Energy Harvesters Utilizing Bridge Vibrations

    Directory of Open Access Journals (Sweden)

    Farid Ullah Khan

    2016-01-01

    Full Text Available For health monitoring of bridges, wireless acceleration sensor nodes (WASNs are normally used. In bridge environment, several forms of energy are available for operating WASNs that include wind, solar, acoustic, and vibration energy. However, only bridge vibration has the tendency to be utilized for embedded WASNs application in bridge structures. This paper reports on the recent advancements in the area of vibration energy harvesters (VEHs utilizing bridge oscillations. The bridge vibration is narrowband (1 to 40 Hz with low acceleration levels (0.01 to 3.8 g. For utilization of bridge vibration, electromagnetic based vibration energy harvesters (EM-VEHs and piezoelectric based vibration energy harvesters (PE-VEHs have been developed. The power generation of the reported EM-VEHs is in the range from 0.7 to 1450000 μW. However, the power production by the developed PE-VEHs ranges from 0.6 to 7700 μW. The overall size of most of the bridge VEHs is quite comparable and is in mesoscale. The resonant frequencies of EM-VEHs are on the lower side (0.13 to 27 Hz in comparison to PE-VEHs (1 to 120 Hz. The power densities reported for these bridge VEHs range from 0.01 to 9539.5 μW/cm3 and are quite enough to operate most of the commercial WASNs.

  16. 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...

  17. Anti-vibration gloves?

    Science.gov (United States)

    Hewitt, Sue; Dong, Ren G; Welcome, Daniel E; McDowell, Thomas W

    2015-03-01

    For exposure to hand-transmitted vibration (HTV), personal protective equipment is sold in the form of anti-vibration (AV) gloves, but it remains unclear how much these gloves actually reduce vibration exposure or prevent the development of hand-arm vibration syndrome in the workplace. This commentary describes some of the issues that surround the classification of AV gloves, the assessment of their effectiveness and their applicability in the workplace. The available information shows that AV gloves are unreliable as devices for controlling HTV exposures. Other means of vibration control, such as using alternative production techniques, low-vibration machinery, routine preventative maintenance regimes, and controlling exposure durations are far more likely to deliver effective vibration reductions and should be implemented. Furthermore, AV gloves may introduce some adverse effects such as increasing grip force and reducing manual dexterity. Therefore, one should balance the benefits of AV gloves and their potential adverse effects if their use is considered. © Crown copyright 2014.

  18. Nonlinear resonance ultrasonic vibrations in Czochralski-silicon wafers

    Science.gov (United States)

    Ostapenko, S.; Tarasov, I.

    2000-04-01

    A resonance effect of generation of subharmonic acoustic vibrations is observed in as-grown, oxidized, and epitaxial silicon wafers. Ultrasonic vibrations were generated into a standard 200 mm Czochralski-silicon (Cz-Si) wafer using a circular ultrasound transducer with major frequency of the radial vibrations at about 26 kHz. By tuning frequency (f) of the transducer within a resonance curve, we observed a generation of intense f/2 subharmonic acoustic mode assigned as a "whistle." The whistle mode has a threshold amplitude behavior and narrow frequency band. The whistle is attributed to a nonlinear acoustic vibration of a silicon plate. It is demonstrated that characteristics of the whistle mode are sensitive to internal stress and can be used for quality control and in-line diagnostics of oxidized and epitaxial Cz-Si wafers.

  19. Vibrational signatures in the THz spectrum of 1,3-DNB: A first-principles and experimental study

    Science.gov (United States)

    Ahmed, Towfiq; Azad, Abul K.; Chellappa, Raja; Higginbotham-Duque, Amanda; Dattelbaum, Dana M.; Zhu, Jian-Xin; Moore, David; Graf, Matthias J.

    2016-05-01

    Understanding the fundamental processes of light-matter interaction is important for detection of explosives and other energetic materials, which are active in the infrared and terahertz (THz) region. We report a comprehensive study on electronic and vibrational lattice properties of structurally similar 1,3-dinitrobenzene (1,3-DNB) crystals through first-principles electronic structure calculations and THz spectroscopy measurements on polycrystalline samples. Starting from reported x-ray crystal structures, we use density-functional theory (DFT) with periodic boundary conditions to optimize the structures and perform linear response calculations of the vibrational properties at zero phonon momentum. The theoretically identified normal modes agree qualitatively with those obtained experimentally in a frequency range up to 2.5 THz and quantitatively at much higher frequencies. The latter frequencies are set by intra-molecular forces. Our results suggest that van der Waals dispersion forces need to be included to improve the agreement between theory and experiment in the THz region, which is dominated by intermolecular modes and sensitive to details in the DFT calculation. An improved comparison is needed to assess and distinguish between intra- and intermolecular vibrational modes characteristic of energetic materials.

  20. Dynamics and Control of Lateral Tower Vibrations in Offshore Wind Turbines by Means of Active Generator Torque

    Directory of Open Access Journals (Sweden)

    Zili Zhang

    2014-11-01

    Full Text Available Lateral tower vibrations of offshore wind turbines are normally lightly damped, and large amplitude vibrations induced by wind and wave loads in this direction may significantly shorten the fatigue life of the tower. This paper proposes the modeling and control of lateral tower vibrations in offshore wind turbines using active generator torque. To implement the active control algorithm, both the mechanical and power electronic aspects have been taken into consideration. A 13-degrees-of-freedom aeroelastic wind turbine model with generator and pitch controllers is derived using the Euler–Lagrangian approach. The model displays important features of wind turbines, such as mixed moving frame and fixed frame-defined degrees-of-freedom, couplings of the tower-blade-drivetrain vibrations, as well as aerodynamic damping present in different modes of motions. The load transfer mechanisms from the drivetrain and the generator to the nacelle are derived, and the interaction between the generator torque and the lateral tower vibration are presented in a generalized manner. A three-dimensional rotational sampled turbulence field is generated and applied to the rotor, and the tower is excited by a first order wave load in the lateral direction. Next, a simple active control algorithm is proposed based on active generator torques with feedback from the measured lateral tower vibrations. A full-scale power converter configuration with a cascaded loop control structure is also introduced to produce the feedback control torque in real time. Numerical simulations have been carried out using data calibrated to the referential 5-MW NREL (National Renewable Energy Laboratory offshore wind turbine. Cases of drivetrains with a gearbox and direct drive to the generator are considered using the same time series for the wave and turbulence loadings. Results show that by using active generator torque control, lateral tower vibrations can be significantly mitigated for

  1. 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.

  2. The vibration compensation system for ARGOS

    Science.gov (United States)

    Peter, D.; Gaessler, W.; Borelli, J.; Kulas, M.

    2011-09-01

    For every adaptive optics system telescope vibrations can strongly reduce the performance. This is true for the receiver part of the system i.e. the telescope and wave front sensor part as well as for the transmitter part in the case of a laser guide star system. Especially observations in deep fields observed with a laser guide star system without any tip-tilt star will be greatly spoiled by telescope vibrations. The ARGOS GLAO system actually being built for the LBT aims to implement this kind of mode where wave front correction will rely purely on signals from the laser beacons. To remove the vibrations from the uplink path a vibration compensation system will be installed. This system uses accelerometers to measure the vibrations and corrects their effect with a small fast tip-tilt mirror. The controller of the system is built based on the assumption that the vibrations take place at a few distinct frequencies. Here I present a lab set-up of this system and show first results of the performance.

  3. Vibration monitoring with artificial neural networks

    International Nuclear Information System (INIS)

    Alguindigue, I.

    1991-01-01

    Vibration monitoring of components in nuclear power plants has been used for a number of years. This technique involves the analysis of vibration data coming from vital components of the plant to detect features which reflect the operational state of machinery. The analysis leads to the identification of potential failures and their causes, and makes it possible to perform efficient preventive maintenance. Earlydetection is important because it can decrease the probability of catastrophic failures, reduce forced outgage, maximize utilization of available assets, increase the life of the plant, and reduce maintenance costs. This paper documents our work on the design of a vibration monitoring methodology based on neural network technology. This technology provides an attractive complement to traditional vibration analysis because of the potential of neural network to operate in real-time mode and to handle data which may be distorted or noisy. Our efforts have been concentrated on the analysis and classification of vibration signatures collected from operating machinery. Two neural networks algorithms were used in our project: the Recirculation algorithm for data compression and the Backpropagation algorithm to perform the actual classification of the patterns. Although this project is in the early stages of development it indicates that neural networks may provide a viable methodology for monitoring and diagnostics of vibrating components. Our results to date are very encouraging

  4. Sensor fusion for active vibration isolation in precision equipment

    NARCIS (Netherlands)

    Tjepkema, D.; van Dijk, Johannes; Soemers, Herman

    2012-01-01

    Sensor fusion is a promising control strategy to improve the performance of active vibration isolation systems that are used in precision equipment. Normally, those vibration isolation systems are only capable of realizing a low transmissibility. Additional objectives are to increase the damping

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

    Science.gov (United States)

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

    2017-11-02

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

  6. Vibrationally specific photoionization cross sections of acrolein leading to the Χ~A' ionic state

    International Nuclear Information System (INIS)

    López-Domínguez, Jesús A.; Lucchese, Robert R.; Fulfer, K. D.; Hardy, David; Poliakoff, E. D.; Aguilar, A. A.

    2014-01-01

    The vibrational branching ratios in the photoionization of acrolein for ionization leading to the Χ ~ A ' ion state were studied. Computed logarithmic derivatives of the cross section and the corresponding experimental data derived from measured vibrational branching ratios for several normal modes (ν 9 , ν 10 , ν 11 , and ν 12 ) were found to be in relatively good agreement, particularly for the lower half of the 11–100 eV photon energy range considered. Two shape resonances have been found near photon energies of 15.5 and 23 eV in the photoionization cross section and have been demonstrated to originate from the partial cross section of the A ′ scattering symmetry. The wave functions computed at the resonance complex energies are delocalized over the whole molecule. By looking at the dependence of the cross section on the different normal mode displacements together with the wave function at the resonant energy, a qualitative explanation is given for the change of the cross sections with respect to changing geometry

  7. Bandshapes in vibrational spectroscopy

    International Nuclear Information System (INIS)

    Dijkman, F.G.

    1978-01-01

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

  8. Study for increasing micro-drill reliability by vibrating drilling

    International Nuclear Information System (INIS)

    Yang Zhaojun; Li Wei; Chen Yanhong; Wang Lijiang

    1998-01-01

    A study for increasing micro-drill reliability by vibrating drilling is described. Under the experimental conditions of this study it is observed, from reliability testing and the fitting of a life-distribution function, that the lives of micro-drills under ordinary drilling follow the log-normal distribution and the lives of micro-drills under vibrating drilling follow the Weibull distribution. Calculations for reliability analysis show that vibrating drilling can increase the lives of micro-drills and correspondingly reduce the scatter of drill lives. Therefore, vibrating drilling increases the reliability of micro-drills

  9. Clarifying Normalization

    Science.gov (United States)

    Carpenter, Donald A.

    2008-01-01

    Confusion exists among database textbooks as to the goal of normalization as well as to which normal form a designer should aspire. This article discusses such discrepancies with the intention of simplifying normalization for both teacher and student. This author's industry and classroom experiences indicate such simplification yields quicker…

  10. Wind Turbine Rotors with Active Vibration Control

    DEFF Research Database (Denmark)

    Svendsen, Martin Nymann

    that the basic modes of a wind turbine blade can be effectively addressed by an in-blade ‘active strut’ actuator mechanism. The importance of accounting for background mode flexibility is demonstrated. Also, it is shown that it is generally possible to address multiple beam modes with multiple controllers, given...... in the targeted modes and the observed spill-over to other modes is very limited and generally stabilizing. It is shown that physical controller positioning for reduced background noise is important to the calibration. By simulation of the rotor response to both simple initial conditions and a stochastic wind......This thesis presents a framework for structural modeling, analysis and active vibration damping of rotating wind turbine blades and rotors. A structural rotor model is developed in terms of finite beam elements in a rotating frame of reference. The element comprises a representation of general...

  11. 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...

  12. Synthesis, crystal structure, vibrational spectra and theoretical calculations of quantum chemistry of a potential antimicrobial Meldrum's acid derivative

    Science.gov (United States)

    Campelo, M. J. M.; Freire, P. T. C.; Mendes Filho, J.; de Toledo, T. A.; Teixeira, A. M. R.; da Silva, L. E.; Bento, R. R. F.; Faria, J. L. B.; Pizani, P. S.; Gusmão, G. O. M.; Coutinho, H. D. M.; Oliveira, M. T. A.

    2017-10-01

    A new derivative of Meldrum's acid 5-((5-chloropyridin-2-ylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CYMM) of molecular formula C12H11ClN2O4 was synthesized and structurally characterized using single crystal X-ray diffraction technique. The vibrational properties of the crystal were studied by Fourier Transform infrared (FT-IR), Fourier Transform Raman (FT-Raman) techniques and theoretical calculations of quantum chemistry using Density functional theory (DFT) and Density functional perturbation theory (DFPT). A comparison with experimental spectra allowed the assignment of all the normal modes. The descriptions of the normal modes were carried by means of potential energy distribution (PED). Additionally, analysis of the antimicrobial activity and antibiotic resistance modulatory activity was carried out to evaluate the antibacterial potential of the CYMM.

  13. Development of an innovative device for ultrasonic elliptical vibration cutting.

    Science.gov (United States)

    Zhou, Ming; Hu, Linhua

    2015-07-01

    An innovative ultrasonic elliptical vibration cutting (UEVC) device with 1st resonant mode of longitudinal vibration and 3rd resonant mode of bending vibration was proposed in this paper, which can deliver higher output power compared to previous UEVC devices. Using finite element method (FEM), resonance frequencies of the longitudinal and bending vibrations were tuned to be as close as possible in order to excite these two vibrations using two-phase driving voltages at a single frequency, while wave nodes of the longitudinal and bending vibrations were also adjusted to be as coincident as possible for mounting the device at a single fixed point. Based on the simulation analysis results a prototype device was fabricated, then its vibration characteristics were evaluated by an impedance analyzer and a laser displacement sensor. With two-phase sinusoidal driving voltages both of 480 V(p-p) at an ultrasonic frequency of 20.1 kHz, the developed prototype device achieved an elliptical vibration with a longitudinal amplitude of 8.9 μm and a bending amplitude of 11.3 μm. The performance of the developed UEVC device is assessed by the cutting tests of hardened steel using single crystal diamond tools. Experimental results indicate that compared to ordinary cutting process, the tool wear is reduced significantly by using the proposed device. Copyright © 2015 Elsevier B.V. All rights reserved.

  14. Mode-specific tunneling using the Qim path: theory and an application to full-dimensional malonaldehyde.

    Science.gov (United States)

    Wang, Yimin; Bowman, Joel M

    2013-10-21

    We present a theory of mode-specific tunneling that makes use of the general tunneling path along the imaginary-frequency normal mode of the saddle point, Qim, and the associated relaxed potential, V(Qim) [Y. Wang and J. M. Bowman, J. Chem. Phys. 129, 121103 (2008)]. The novel aspect of the theory is the projection of the normal modes of a minimum onto the Qim path and the determination of turning points on V(Qim). From that projection, the change in tunneling upon mode excitation can be calculated. If the projection is zero, no enhancement of tunneling is predicted. In that case vibrationally adiabatic (VA) theory could apply. However, if the projection is large then VA theory is not applicable. The approach is applied to mode-specific tunneling in full-dimensional malonaldehyde, using an accurate full-dimensional potential energy surface. Results are in semi-quantitative agreement with experiment for modes that show large enhancement of the tunneling, relative to the ground state tunneling splitting. For the six out-of-plane modes, which have zero projection on the planar Qim path, VA theory does apply, and results from that theory agree qualitatively and even semi-quantitatively with experiment. We also verify the failure of simple VA theory for modes that show large enhancement of tunneling.

  15. Experiments on vibration control of a piezoelectric laminated paraboloidal shell

    Science.gov (United States)

    Yue, Honghao; Lu, Yifan; Deng, Zongquan; Tzou, Hornsen

    2017-01-01

    A paraboloidal shell plays a key role in aerospace and optical structural systems applied to large optical reflector, communications antenna, rocket fairing, missile radome, etc. Due to the complexity of analytical procedures, an experimental study of active vibration control of a piezoelectric laminated paraboloidal shell by positive position feedback is carried out. Sixteen PVDF patches are laminated inside and outside of the shell, in which eight of them are used as sensors and eight as actuators to control the vibration of the first two natural modes. Lower natural frequencies and vibration modes of the paraboloidal shell are obtained via the frequency response function analysis by Modal VIEW software. A mathematical model of the control system is formulated by means of parameter identification. The first shell mode is controlled as well as coupled the first and second modes based on the positive position feedback (PPF) algorithm. To minimize the control energy consumption in orbit, an adaptive modal control method is developed in this study by using the PPF in laboratory experiments. The control system collects vibration signals from the piezoelectric sensors to identify location(s) of the largest vibration amplitudes and then select the best two from eight PVDF actuators to apply control forces so that the modal vibration suppression could be accomplished adaptively and effectively.

  16. Normal co-ordinate analysis of 1, 8-dibromooctane

    Science.gov (United States)

    Singh, Devinder; Jaggi, Neena; Singh, Nafa

    2010-02-01

    The organic compound 1,8-dibromooctane (1,8-DBO) exists in liquid phase at ambient temperatures and has versatile synthetic applications. In its liquid phase 1,8-DBO has been expected to exist in four most probable conformations, with all its carbon atoms in the same plane, having symmetries C 2h , C i , C 2 and C 1 . In the present study a detailed vibrational analysis in terms of assignment of Fourier transform infrared (FT-IR) and Raman bands of this molecule using normal co-ordinate calculations has been done. A systematic set of symmetry co-ordinates has been constructed for this molecule and normal co-ordinate analysis is carried out using the computer program MOLVIB. The force-field transferred from already studied lower chain bromo-alkanes is subjected to refinement so as to fit the observed infrared and Raman frequencies with those of calculated ones. The potential energy distribution (PED) has also been calculated for each mode of vibration of the molecule for the assumed conformations.

  17. Conformational and vibrational reassessment of solid paracetamol

    Science.gov (United States)

    Amado, Ana M.; Azevedo, Celeste; Ribeiro-Claro, Paulo J. A.

    2017-08-01

    This work provides an answer to the urge for a more detailed and accurate knowledge of the vibrational spectrum of the widely used analgesic/antipyretic drug commonly known as paracetamol. A comprehensive spectroscopic analysis - including infrared, Raman, and inelastic neutron scattering (INS) - is combined with a computational approach which takes account for the effects of intermolecular interactions in the solid state. This allows a full reassessment of the vibrational assignments for Paracetamol, thus preventing the propagation of incorrect data analysis and misassignments already found in the literature. In particular, the vibrational modes involving the hydrogen-bonded Nsbnd H and Osbnd H groups are correctly reallocated to bands shifted by up to 300 cm- 1 relatively to previous assignments.

  18. On the bi-dimensional variational decomposition applied to nonstationary vibration signals for rolling bearing crack detection in coal cutters

    International Nuclear Information System (INIS)

    Jiang, Yu; Li, Zhixiong; Zhang, Chao; Peng, Z; Hu, Chao

    2016-01-01

    This work aims to detect rolling bearing cracks using a variational approach. An original method that appropriately incorporates bi-dimensional variational mode decomposition (BVMD) into discriminant diffusion maps (DDM) is proposed to analyze the nonstationary vibration signals recorded from the cracked rolling bearings in coal cutters. The advantage of this variational decomposition based diffusion map (VDDM) method in comparison to the current DDM is that the intrinsic vibration mode of the crack can be filtered into a limited bandwidth in the frequency domain with an estimated central frequency, thus discarding the interference signal components in the vibration signals and significantly improving the crack detection performance. In addition, the VDDM is able to simultaneously process two-channel sensor signals to reduce information leakage. Experimental validation using rolling bearing crack vibration signals demonstrates that the VDDM separated the raw signals into four intrinsic modes, including one roller vibration mode, one roller cage vibration mode, one inner race vibration mode, and one outer race vibration mode. Hence, reliable fault features were extracted from the outer race vibration mode, and satisfactory crack identification performance was achieved. The comparison between the proposed VDDM and existing approaches indicated that the VDDM method was more efficient and reliable for crack detection in coal cutter rolling bearings. As an effective catalyst for rolling bearing crack detection, this newly proposed method is useful for practical applications. (paper)

  19. Vibrational and thermal study of l-methionine nitrate polycrystals

    Energy Technology Data Exchange (ETDEWEB)

    Victor, F.M.S.; Ribeiro, L.H.L.; Facanha Filho, P.F.; Santos, C.A.S.; Soares, R.A.; Abreu, D.C.; Sousa, J.C.F.; Carvalho, J.O.; Santos, A.O. dos [Universidade Federal do Maranhao (UFMA), MA (Brazil)

    2016-07-01

    Full text: Intensified in studies of nonlinear optical materials has been observed over the past two decades for its wide application in telecommunications, optical modulation and optical signal processing. The goal of this work is the thermal and vibrational study of L-methionine nitrate polycrystalline. The polycrystals were obtained by the method of slow evaporation of solvent at ambient temperature of 25 ° C. The X-ray diffraction was performed to confirm the structure of the material, which has monoclinic structure (space group P21) with four molecules per unit cell structure. Refinement by Rietveld method has been optimized and good quality parameters Rwp = 7.97% , Rp = 5.74 and S = 1.92%. The thermal stability of the material was verified from Thermogravimetric analysis (TGA), Differential Thermal Analysis (DTA) and Differential Scanning Calorimetry (DSC). The measures showed a possible phase transition event at about 107°C before the melting point of the material, which took place at about 127°C. Thermogravimetric analysis showed two mass loss events of 61.5% and 30.4%. The vibrational modes of the L-methionine nitrate molecule were identified by Raman spectroscopy in the spectral range between 35cm-1 and 3500 cm-1, the scattering measurements were made from room temperature up to the melting temperature of the material (140 ° C ) in which the disappearance of bands was found in the region of normal modes at 130 ° C, thus demonstrating a irreversible structural phase transition, because the spectrum obtained after returning the sample to ambient temperature is typical of amorphous material. (author)

  20. The monopole and quadrupole vibrations of a hot nucleus

    International Nuclear Information System (INIS)

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

    1989-03-01

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

  1. Vibrational modes and Structure of Niobium(V) Oxosulfato Complexes in the Molten Nb2O5-K2S2O7-K2SO4 System Studied by Raman Spectroscopy

    DEFF Research Database (Denmark)

    Paulsen, Andreas L.; Borup, Flemming; Berg, Rolf W.

    2010-01-01

    The structural and vibrational properties of NbV oxosulfato complexes formed in Nb2O5-K2S2O7 and Nb2O5-K2S2O7-K2SO4 molten mixtures with 0 ... for the binary Nb2O5-K2S2O7 molten system indicate that the dissolution of Nb2O5 proceeds with consumption of S2O7 leading to the formation of a NbV oxosulfato complex according to Nb2O5 + nS2O7 --> C2n-; a simple formalism exploiting the relative Raman band intensities is used for determining the stoichiometric...... coefficient, n, pointing to n = 3 and to the following reaction: Nb2O5 + 3S2O7 --> 2NbO(SO4)3, which is consistent with the Raman spectra of the molten mixtures. Nb2O5 could be dissolved much easier when K2SO4 was present in an equimolar (1:1) SO4/Nb ratio; the incremental presence of K2SO4 in Nb2O5-K2S2O7...

  2. Spinal cord normalization in multiple sclerosis.

    Science.gov (United States)

    Oh, Jiwon; Seigo, Michaela; Saidha, Shiv; Sotirchos, Elias; Zackowski, Kathy; Chen, Min; Prince, Jerry; Diener-West, Marie; Calabresi, Peter A; Reich, Daniel S

    2014-01-01

    Spinal cord (SC) pathology is common in multiple sclerosis (MS), and measures of SC-atrophy are increasingly utilized. Normalization reduces biological variation of structural measurements unrelated to disease, but optimal parameters for SC volume (SCV)-normalization remain unclear. Using a variety of normalization factors and clinical measures, we assessed the effect of SCV normalization on detecting group differences and clarifying clinical-radiological correlations in MS. 3T cervical SC-MRI was performed in 133 MS cases and 11 healthy controls (HC). Clinical assessment included expanded disability status scale (EDSS), MS functional composite (MSFC), quantitative hip-flexion strength ("strength"), and vibration sensation threshold ("vibration"). SCV between C3 and C4 was measured and normalized individually by subject height, SC-length, and intracranial volume (ICV). There were group differences in raw-SCV and after normalization by height and length (MS vs. HC; progressive vs. relapsing MS-subtypes, P normalization by length (EDSS:r = -.43; MSFC:r = .33; strength:r = .38; vibration:r = -.40), and height (EDSS:r = -.26; MSFC:r = .28; strength:r = .22; vibration:r = -.29), but diminished with normalization by ICV (EDSS:r = -.23; MSFC:r = -.10; strength:r = .23; vibration:r = -.35). In relapsing MS, normalization by length allowed statistical detection of correlations that were not apparent with raw-SCV. SCV-normalization by length improves the ability to detect group differences, strengthens clinical-radiological correlations, and is particularly relevant in settings of subtle disease-related SC-atrophy in MS. SCV-normalization by length may enhance the clinical utility of measures of SC-atrophy. Copyright © 2014 by the American Society of Neuroimaging.

  3. Vibrational frequencies and structural investigation of (M(CN)4)2- (M Cd, Hg and Zn) ions

    International Nuclear Information System (INIS)

    Gurkan, Keshan; Tomas, Polivka; Cemal, Parlak; Mustafa, Shenyel

    2011-01-01

    The normal mode frequencies and corresponding vibrational assignments of tetracyanometallate (II) ions ([M(CN) 4 ] 2 -, M = Cd, Hg and Zn) have been theoretically examined by means of standard quantum chemical techniques. All normalmodes have been successfully assigned to one of six types of motion utilizing the T d symmetry of M(CN) 4 2 -. Calculations have been performed at the Becke-3-Lee-Yang-Parr (B3LYP) density functional method using the Lanl2dz effective core basis set. Furthermore, reliable vibrational assignments have been made on the basis of potential energy distribution (PED) calculated and the thermodynamics functions, highest occupied and lowest unoccupied molecular orbitals (HOMO and LUMO) of the title ions have been predicted together with their infrared intensities and Raman activities. Theoretical results have been successfully compared against available experimental data

  4. Chains of benzenes with lithium-atom adsorption: Vibrations and spontaneous symmetry breaking

    OpenAIRE

    Ortiz, Yenni P.; Stegmann, Thomas; Klein, Douglas J.; Seligman, Thomas H.

    2016-01-01

    We study effects of different configurations of adsorbates on the vibrational modes as well as symmetries of polyacenes and poly-p-phenylenes focusing on lithium atom adsorption. We found that the spectra of the vibrational modes distinguish the different configurations. For more regular adsorption schemes the lowest states are bending and torsion modes of the skeleton, which are essentially followed by the adsorbate. On poly-p-phenylenes we found that lithium adsorption reduces and often eli...

  5. Mechanical vibration and shock analysis, sinusoidal vibration

    CERN Document Server

    Lalanne, Christian

    2014-01-01

    Everything engineers need to know about mechanical vibration and shock...in one authoritative reference work! This fully updated and revised 3rd edition addresses the entire field of mechanical vibration and shock as one of the most important types of load and stress applied to structures, machines and components in the real world. Examples include everything from the regular and predictable loads applied to turbines, motors or helicopters by the spinning of their constituent parts to the ability of buildings to withstand damage from wind loads or explosions, and the need for cars to m

  6. Hydroelastic Vibrations of Ships

    DEFF Research Database (Denmark)

    Jensen, Jørgen Juncher; Folsø, Rasmus

    2002-01-01

    A formula for the necessary hull girder bending stiffness required to avoid serious springing vibrations is derived. The expression takes into account the zero crossing period of the waves, the ship speed and main dimensions. For whipping vibrations the probability of exceedance for the combined...

  7. Surface vibrational spectroscopy

    International Nuclear Information System (INIS)

    Erskine, J.L.

    1984-01-01

    A brief review of recent studies which combine measurements of surface vibrational energies with lattice dynamical calculations is presented. These results suggest that surface vibrational spectroscopy offers interesting prospects for use as a molecular-level probe of surface geometry, adsorbate bond distances and molecular orientations

  8. Gearbox vibration diagnostic analyzer

    Science.gov (United States)

    1992-01-01

    This report describes the Gearbox Vibration Diagnostic Analyzer installed in the NASA Lewis Research Center's 500 HP Helicopter Transmission Test Stand to monitor gearbox testing. The vibration of the gearbox is analyzed using diagnostic algorithms to calculate a parameter indicating damaged components.

  9. 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.

  10. Free-vibration acoustic resonance of a nonlinear elastic bar

    Science.gov (United States)

    Tarumi, Ryuichi; Oshita, Yoshihito

    2011-02-01

    Free-vibration acoustic resonance of a one-dimensional nonlinear elastic bar was investigated by direct analysis in the calculus of variations. The Lagrangian density of the bar includes a cubic term of the deformation gradient, which is responsible for both geometric and constitutive nonlinearities. By expanding the deformation function into a complex Fourier series, we derived the action integral in an analytic form and evaluated its stationary conditions numerically with the Ritz method for the first three resonant vibration modes. This revealed that the bar shows the following prominent nonlinear features: (i) amplitude dependence of the resonance frequency; (ii) symmetry breaking in the vibration pattern; and (iii) excitation of the high-frequency mode around nodal-like points. Stability of the resonant vibrations was also addressed in terms of a convex condition on the strain energy density.

  11. Tapered Polymer Fiber Sensors for Reinforced Concrete Beam Vibration Detection.

    Science.gov (United States)

    Luo, Dong; Ibrahim, Zainah; Ma, Jianxun; Ismail, Zubaidah; Iseley, David Thomas

    2016-12-16

    In this study, tapered polymer fiber sensors (TPFSs) have been employed to detect the vibration of a reinforced concrete beam (RC beam). The sensing principle was based on transmission modes theory. The natural frequency of an RC beam was theoretically analyzed. Experiments were carried out with sensors mounted on the surface or embedded in the RC beam. Vibration detection results agreed well with Kistler accelerometers. The experimental results found that both the accelerometer and TPFS detected the natural frequency function of a vibrated RC beam well. The mode shapes of the RC beam were also found by using the TPFSs. The proposed vibration detection method provides a cost-comparable solution for a structural health monitoring (SHM) system in civil engineering.

  12. Development of vibrational analysis for detection of antisymmetric shells

    International Nuclear Information System (INIS)

    Esmailzadeh Khadem, S.; Mahmoodi, M.; Rezaee, M.

    2002-01-01

    In this paper, vibrational behavior of bodies of revolution with different types of structural faults is studied. Since vibrational characteristics of structures are natural properties of system, the existence of any structural faults causes measurable changes in these properties. Here, this matter is demonstrated. In other words, vibrational behavior of a body of revolution with no structural faults is analyzed by two methods of I) numerical analysis using super sap software, II) Experimental model analysis, and natural frequencies and mode shapes are obtained. Then, different types of cracks are introduced in the structure, and analysis is repeated and the results are compared. Based on this study, one may perform crack detection by measuring the natural frequencies and mode shapes of the samples and comparing with reference information obtained from the vibration analysis of the original structure with no fault

  13. Nanoscale piezoelectric vibration energy harvester design

    Science.gov (United States)

    Foruzande, Hamid Reza; Hajnayeb, Ali; Yaghootian, Amin

    2017-09-01

    Development of new nanoscale devices has increased the demand for new types of small-scale energy resources such as ambient vibrations energy harvesters. Among the vibration energy harvesters, piezoelectric energy harvesters (PEHs) can be easily miniaturized and fabricated in micro and nano scales. This change in the dimensions of a PEH leads to a change in its governing equations of motion, and consequently, the predicted harvested energy comparing to a macroscale PEH. In this research, effects of small scale dimensions on the nonlinear vibration and harvested voltage of a nanoscale PEH is studied. The PEH is modeled as a cantilever piezoelectric bimorph nanobeam with a tip mass, using the Euler-Bernoulli beam theory in conjunction with Hamilton's principle. A harmonic base excitation is applied as a model of the ambient vibrations. The nonlocal elasticity theory is used to consider the size effects in the developed model. The derived equations of motion are discretized using the assumed-modes method and solved using the method of multiple scales. Sensitivity analysis for the effect of different parameters of the system in addition to size effects is conducted. The results show the significance of nonlocal elasticity theory in the prediction of system dynamic nonlinear behavior. It is also observed that neglecting the size effects results in lower estimates of the PEH vibration amplitudes. The results pave the way for designing new nanoscale sensors in addition to PEHs.

  14. On the absence of reverse running waves in general displacement of lattice vibration in popular books on solid state theory

    Science.gov (United States)

    Xia, Shangda; Lou, Liren

    2018-05-01

    In this article we point out that there is a deficiency in the presentation of the general solution of harmonic lattice vibration, the omission of half of the allowed running waves, in many popular textbooks published since 1940, e.g. O Madelung’s 1978 Introduction to Solid-State Theory and J Solyom’s 2007 Fundamentals of the Physics of Solids, vol 1. So we provide a revised presentation, which gives a complete general solution and demonstrates clearly that the conventional complex normal coordinate should be a superposition of two coordinates (multiplied by a factor \\sqrt{1/2}) of running waves travelling oppositely along q and -q, not only a coordinate of a unidirectional running wave as many books considered. It is noticed that the book, Quantum Theory of the Solid State: An Introduction, by L Kantorovich, published in 2004, and the review article, ‘Phonons in perfect crystals’ by W Cochran and R A Cowly, published in 1967, for a one-dimensional single-atom chain gave correct (but not normalized) formulae for the general solution of lattice vibration and the normal coordinate. However, both of them stated still that each normal coordinate describes an independent mode of vibration, which in our opinion needs to be further discussed. Moreover, in books such as Fundamentals of the Physics of Solids, vol 1, by J Solyom, and The Physics and Chemistry of Solids, by S R Elliott, published in 2006 and 2007, respectively, the reverse waves were still lost. Hence, we also discuss a few related topics. In quantization of the lattice vibration, the introduction of the conventional two (not one) independent phonon operators in a normal coordinate is closely related to the ‘independence’ of the two constituent waves mentioned above, and we propose a simple propositional relation between the phonon operator and the corresponding running wave coordinate. Moreover, only the coordinate of the superposition wave (not the running wave), as the normal coordinate can

  15. A Preliminary Experimental Study on Vibration Responses of Foamed Concrete Composite Slabs

    Science.gov (United States)

    Rum, R. H. M.; Jaini, Z. M.; Ghaffar, N. H. Abd; Rahman, N. Abd

    2017-11-01

    In recent years, composite slab has received utmost demand as a floor system in the construction industry. The composite slab is an economical type of structure and able to accelerate the construction process. Basically, the composite slab can be casting by using a combination of corrugated steel deck and normal concrete in which selfweight represents a very large proportion of the total action. Therefore, foamed concrete become an attractive alternative to be utilized as a replacement of normal concrete. However, foamed concrete has high flexibility due to the presence of large amount of air-void and low modulus elasticity. It may result in vibration responses being greater. Hence, this experimental study investigates the vibration responses of composite slab made of corrugated steel deck and foamed concrete. The specimens were prepared with dimension of 750mm width, 1600mm length and 125mm thickness. The hammer-impact test was conducted to obtain the acceleration-time history. The analysis revealed that the first natural frequency is around 27.97 Hz to 40.94 Hz, while the maximum acceleration reaches 1.31 m/s2 to 1.88 m/s2. The first mode shape depicts normal pattern and favourable agreement of deformation.

  16. 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.

  17. Birkhoff normalization

    NARCIS (Netherlands)

    Broer, H.; Hoveijn, I.; Lunter, G.; Vegter, G.

    2003-01-01

    The Birkhoff normal form procedure is a widely used tool for approximating a Hamiltonian systems by a simpler one. This chapter starts out with an introduction to Hamiltonian mechanics, followed by an explanation of the Birkhoff normal form procedure. Finally we discuss several algorithms for

  18. Even nanomechanical modes transduced by integrated photonics

    Energy Technology Data Exchange (ETDEWEB)

    Westwood-Bachman, J. N.; Diao, Z.; Sauer, V. T. K.; Hiebert, W. K., E-mail: wayne.hiebert@nrc-cnrc.gc.ca [Department of Physics, University of Alberta, Edmonton T6G 2E1 (Canada); National Institute for Nanotechnology, 11421 Saskatchewan Drive, Edmonton T6G 2M9 (Canada); Bachman, D. [Department of Electrical Engineering, University of Alberta, Edmonton T6G 2V4 (Canada)

    2016-02-08

    We demonstrate the actuation and detection of even flexural vibrational modes of a doubly clamped nanomechanical resonator using an integrated photonics transduction scheme. The doubly clamped beam is formed by releasing a straight section of an optical racetrack resonator from the underlying silicon dioxide layer, and a step is fabricated in the substrate beneath the beam. The step causes uneven force and responsivity distribution along the device length, permitting excitation and detection of even modes of vibration. This is achieved while retaining transduction capability for odd modes. The devices are actuated via optical force applied with a pump laser. The displacement sensitivities of the first through third modes, as obtained from the thermomechanical noise floor, are 228 fm Hz{sup −1/2}, 153 fm Hz{sup −1/2}, and 112 fm Hz{sup −1/2}, respectively. The excitation efficiency for these modes is compared and modeled based on integration of the uneven forces over the mode shapes. While the excitation efficiency for the first three modes is approximately the same when the step occurs at about 38% of the beam length, the ability to tune the modal efficiency of transduction by choosing the step position is discussed. The overall optical force on each mode is approximately 0.4 pN μm{sup −1} mW{sup −1}, for an applied optical power of 0.07 mW. We show a potential application that uses the resonant frequencies of the first two vibrational modes of a buckled beam to measure the stress in the silicon device layer, estimated to be 106 MPa. We anticipate that the observation of the second mode of vibration using our integrated photonics approach will be useful in future mass sensing experiments.

  19. Vibration of helical springs in cross water flow

    International Nuclear Information System (INIS)

    Axisa, F.; Brunet, G.

    1987-05-01

    The purpose of this paper is to present new experimental data on vortex-shedding induced vibration on helical springs subjected to cross-flows. Intense locked-in vibration were observed on the natural modes of axial displacement. A simplified model is tentatively proposed to interpret the experimental data which is based on an analogy with vortex-shedding as observed on straight tube rows

  20. An intelligent sensor array distributed system for vibration analysis and acoustic noise characterization of a linear switched reluctance actuator.

    Science.gov (United States)

    Salvado, José; Espírito-Santo, António; Calado, Maria

    2012-01-01

    This paper proposes a distributed system for analysis and monitoring (DSAM) of vibrations and acoustic noise, which consists of an array of intelligent modules, sensor modules, communication bus and a host PC acting as data center. The main advantages of the DSAM are its modularity, scalability, and flexibility for use of different type of sensors/transducers, with analog or digital outputs, and for signals of different nature. Its final cost is also significantly lower than other available commercial solutions. The system is reconfigurable, can operate either with synchronous or asynchronous modes, with programmable sampling frequencies, 8-bit or 12-bit resolution and a memory buffer of 15 kbyte. It allows real-time data-acquisition for signals of different nature, in applications that require a large number of sensors, thus it is suited for monitoring of vibrations in Linear Switched Reluctance Actuators (LSRAs). The acquired data allows the full characterization of the LSRA in terms of its response to vibrations of structural origins, and the vibrations and acoustic noise emitted under normal operation. The DSAM can also be used for electrical machine condition monitoring, machine fault diagnosis, structural characterization and monitoring, among other applications.