WorldWideScience

Sample records for vibrational normal modes

  1. Relating normal vibrational modes to local vibrational modes: benzene and naphthalene.

    Science.gov (United States)

    Zou, Wenli; Kalescky, Robert; Kraka, Elfi; Cremer, Dieter

    2013-07-01

    Local vibrational modes can be directly derived from normal vibrational modes using the method of Konkoli and Cremer (Int J Quant Chem 67:29, 1998). This implies the calculation of the harmonic force constant matrix F (q) (expressed in internal coordinates q) from the corresponding Cartesian force constant matrix f (x) with the help of the transformation matrix U = WB (†)(BWB (†))(-1) (B: Wilson's B-matrix). It is proven that the local vibrational modes are independent of the choice of the matrix W. However, the choice W = M (-1) (M: mass matrix) has numerical advantages with regard to the choice W = I (I: identity matrix), where the latter is frequently used in spectroscopy. The local vibrational modes can be related to the normal vibrational modes in the form of an adiabatic connection scheme (ACS) after rewriting the Wilson equation with the help of the compliance matrix. The ACSs of benzene and naphthalene based on experimental vibrational frequencies are discussed as nontrivial examples. It is demonstrated that the local-mode stretching force constants provide a quantitative measure for the C-H and C-C bond strength.

  2. The normal modes of lattice vibrations of ice XI

    Science.gov (United States)

    Zhang, Peng; Wang, Zhe; Lu, Ying-Bo; Ding, Zheng-Wen

    2016-01-01

    The vibrational spectrum of ice XI at thermal wavelengths using the CASTEP code, a first-principles simulation method, is investigated. A dual-track approach is constructed to verify the validity for the computational phonon spectrum: collate the simulated spectrum with inelastic neutron scattering experiments and assign the photon scattering peaks according to the calculated normal vibration frequencies. The 33 optical normal vibrations at the Brillouin center are illustrated definitely from the ab initio outcomes. The depolarizing field effect of the hydrogen bond vibrations at frequencies of 229 cm−1 and 310 cm−1 is found to agree well with the LST relationship. It is a convincing evidence to manifest the LO-TO splitting of hydrogen bonds in ice crystal. We attribute the two hydrogen bond peaks to the depolarization effect and apply this viewpoint to ordinary ice phase, ice Ih, which is difficult to analyse their vibration modes due to proton disorder. PMID:27375199

  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. 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.

  6. Comparison of resonance frequencies between normal and tangential vibration modes of graphene-nanoribbon-resonators.

    Science.gov (United States)

    Kwon, Oh Kuen; Hwang, Ho Jung; Park, Jungcheol

    2013-12-01

    We investigate tunable graphene-nanoribbon (GNR)-resonators actuated in the tangential direction, and their properties are compared to those actuated in the normal direction, via classical molecular dynamics simulations. These GNR-resonators can be tuned both by the initial strain and the gate. The relationships between the frequency-versus-gate and the initial strain in this work are in good agreement with those in previous experimental works. With increasing initial strain, the resonance frequencies are greatly upshifted, whereas the tunable ranges in frequency are greatly decreased. The tunability in the dynamic operating range decreases with increasing initial strain. For very small strains, the GNR-resonators have large dynamic operating ranges in the normal vibration mode, and for large strains, the GNR-resonators have higher operating frequencies in the tangential vibration mode. The resonance frequencies are estimated by a classical continuum model, with tension acting on the GNR-resonators consisting of both initial tension by initial strain and induced tension by gate actuating.

  7. A Simple Reduction Process for the Normal Vibrational Modes Occurring in Linear Molecules

    Science.gov (United States)

    McInerny, William

    2005-01-01

    The students in molecular spectroscopy courses are often required to determine the permitted normal vibrations for linear molecules that belong to particular groups. The reducible group representations generated by the use of Cartesian coordinates can be reduced by the use of a simple algebraic process applied to the group representations. The…

  8. Normal-mode characteristics of chlorophyll models. Vibrational analysis of metallooctaethylchlorins and their selectively deuterated analogues

    Energy Technology Data Exchange (ETDEWEB)

    Fonda, H.N.; Oertling, W.A.; Salehi, A.; Chang, C.K.; Babcock, G.T. (Michigan State Univ., East Lansing (United States))

    1990-12-19

    The resonance Raman (RR) and infrared (IR) spectra of the Zn, Cu, and Ni complexes of trans-octaethylchlorin (OEC) reveal significant differences in the vibrational-mode properties of metallochlorins and metalloporphyrins. Modes with a contribution from the C{sub a}C{sub m} stretching coordinate are distinguished by their sensitivity to metal substitution and to selective d{sub 2} and d{sub 4} methine deuteration. Comparison of the resonance Raman spectrum of CuOEC with that of CuECI (ECI = etiochlorin I) identifies those modes with a contribution from C{sub b}C{sub b} and C{sub b}C{sub s} stretching and C{sub b}C{sub s} bending coordinates. The results obtained show that there is substantial mixing of C{sub a}C{sub m} and C{sub b}C{sub b} stretching character in the high-frequency modes of MOEC. The suggestion that the symmetry reduction that occurs in metallochlorins relative to metalloporphyrins produces vibrational-mode localization to specific hemispheres or quadrants of the macrocycle has been tested and confirmed by specific d{sub 2} deuteration at the methine carbons. Resonance Raman spectra of CuOEP-d{sub 2} (OEP = octaethylporphyrin) and CuOEP-d{sub 4} establish that, for a delocalized mode, methine d{sub 2} deuteration can be expected to produce half the d{sub 4} shift. For CuOEC, selective deuteration at the {alpha}{beta} and {gamma},{delta} methine positions causes different patterns of frequency shifts that indicate the extent of mode localization.

  9. Effects of poroelastic coefficients on normal vibration modes in vocal-fold tissues.

    Science.gov (United States)

    Tao, Chao; Liu, Xiaojun

    2011-02-01

    The vocal-fold tissue is treated as a transversally isotropic fluid-saturated porous material. Effects of poroelastic coefficients on eigenfrequencies and eigenmodes of the vocal-fold vibration are investigated using the Ritz method. The study demonstrates that the often-used elastic model is only a particular case of the poroelastic model with an infinite fluid-solid mass coupling parameter. The elastic model may be considered appropriate for the vocal-fold tissue when the absolute value of the fluid-solid mass coupling parameter is larger than 10(5) kg/m(3). Otherwise, the poroelastic model may be more accurate. The degree of compressibility of the vocal tissue can also been described by the poroelastic coefficients. Finally, it is revealed that the liquid and solid components in a poroelastic model could have different modal shapes when the coupling between them is weak. The mode decoupling could cause desynchronization and irregular vibration of the folds.

  10. Molecular dynamics simulations and instantaneous normal-mode analysis of the vibrational relaxation of the C-H stretching modes of N-methylacetamide-d in liquid deuterated water.

    Science.gov (United States)

    Bastida, Adolfo; Soler, Miguel A; Zúñiga, José; Requena, Alberto; Kalstein, Adrián; Fernández-Alberti, Sebastian

    2010-11-04

    Nonequilibrium molecular dynamics (MD) simulations and instantaneous normal mode (INMs) analyses are used to study the vibrational relaxation of the C-H stretching modes (ν(s)(CH₃)) of deuterated N-methylacetamide (NMAD) in aqueous (D2O) solution. The INMs are identified unequivocally in terms of the equilibrium normal modes (ENMs), or groups of them, using a restricted version of the recently proposed Min-Cost assignment method. After excitation of the parent ν(s)(CH₃) modes with one vibrational quantum, the vibrational energy is shown to dissipate through both intramolecular vibrational redistribution (IVR) and intermolecular vibrational energy transfer (VET). The decay of the vibrational energy of the ν(s)(CH₃) modes is well fitted to a triple exponential function, with each characterizing a well-defined stage of the entire relaxation process. The first, and major, relaxation stage corresponds to a coherent ultrashort (τ(rel) = 0.07 ps) energy transfer from the parent ν(s)(CH₃) modes to the methyl bending modes δ(CH₃), so that the initially excited state rapidly evolves into a mixed stretch-bend state. In the second stage, characterized by a time of 0.92 ps, the vibrational energy flows through IVR to a number of mid-range-energy vibrations of the solute. In the third stage, the vibrational energy accumulated in the excited modes dissipates into the bath through an indirect VET process mediated by lower-energy modes, on a time scale of 10.6 ps. All the specific relaxation channels participating in the whole relaxation process are properly identified. The results from the simulations are finally compared with the recent experimental measurements of the ν(s)(CH₃) vibrational energy relaxation in NMAD/D₂O(l) reported by Dlott et al. (J. Phys. Chem. A 2009, 113, 75.) using ultrafast infrared-Raman spectroscopy.

  11. Vibrational modes of nanolines

    Science.gov (United States)

    Heyliger, Paul R.; Flannery, Colm M.; Johnson, Ward L.

    2008-04-01

    Brillouin-light-scattering spectra previously have been shown to provide information on acoustic modes of polymeric lines fabricated by nanoimprint lithography. Finite-element methods for modeling such modes are presented here. These methods provide a theoretical framework for determining elastic constants and dimensions of nanolines from measured spectra in the low gigahertz range. To make the calculations feasible for future incorporation in inversion algorithms, two approximations of the boundary conditions are employed in the calculations: the rigidity of the nanoline/substrate interface and sinusoidal variation of displacements along the nanoline length. The accuracy of these approximations is evaluated as a function of wavenumber and frequency. The great advantage of finite-element methods over other methods previously employed for nanolines is the ability to model any cross-sectional geometry. Dispersion curves and displacement patterns are calculated for modes of polymethyl methacrylate nanolines with cross-sectional dimensions of 65 nm × 140 nm and rectangular or semicircular tops. The vibrational displacements and dispersion curves are qualitatively similar for the two geometries and include a series of flexural, Rayleigh-like, and Sezawa-like modes. This paper is a contribution of the National Institute of Standards and Technology and is not subject to copyright in the United States.

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

    Science.gov (United States)

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

    2015-09-28

    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, LiZn2Mo3O8, this approach allows direct assignment of the constrained rotational mode of Mo3O13 clusters and internal modes of MoO6 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. Vibrational normal modes calculation in the crystalline state of methylated monosaccharides: Anomers of the methyl-D-glucopyranoside and methyl-D-xylopyranoside molecules.

    Science.gov (United States)

    Taleb-Mokhtari, Ilham Naoual; Lazreg, Abbassia; Sekkal-Rahal, Majda; Bestaoui, Noreya

    2016-01-15

    A structural investigation of the organic molecules is being carried out using vibrational spectroscopy. In this study, normal co-ordinate calculations of anomers of the methyl-D-glucopyranoside and methyl-β-D-xylopyranoside in the crystalline state have been performed using the modified Urey-Bradley-Shimanouchi force field (mUBSFF) combined with an intermolecular potential energy function. The latter includes Van der Waals interactions, electrostatic terms, and explicit hydrogen bond functions. The vibrational spectra of the compounds recorded in the crystalline state, in the 4000-500 cm(-1) spectral region for the IR spectra, and in the 4000-20 cm(-1) spectral range for the Raman spectra are presented. After their careful examination, several differences in the intensities and frequency shifts have been observed. The theoretical spectra have been obtained after a tedious refinement of the force constants. Thus, on the basis of the obtained potential distribution, each observed band in IR and in Raman has been assigned to a vibrational mode. The obtained results are indeed in agreement with those observed experimentally and thus confirm the previous assignments made for the methyl-α and β-D-glucopyranoside, as well as for the methyl-β-D-xylopyranoside. Copyright © 2015 Elsevier B.V. All rights reserved.

  15. Synthesis, vibrational spectra, and normal mode analysis of nickel(II) 1,5-dihydroxy-1,5-dimethyloctaethylbacteriochlorin. A model for bacteriochlorophylls

    Energy Technology Data Exchange (ETDEWEB)

    Hu, S.; Mukherjee, A.; Spiro, T.G. (Princeton Univ., NJ (United States))

    1993-12-29

    Resonance Raman (RR) and FT-IR spectra are reported for nickel(II) 1,5-dihydroxy-1,5-dimethyloctaethylbacteriochlorin [Ni(HOEBC)] and its meso-d[sub 4] isotopomer. All the in-plane skeletal RR-active modes and most IR-active modes are assigned with the aid of a normal mode analysis by using a force field developed for nickel(II) octaethylporphyrin and by scaling the bond stretch force constants to bond lengths revealed in the crystal structure of nickel(II) octaethylbacteriochlorin. The calculated eigenvectors provide insight into the essential vibrational characteristics of metallobacteriochlorins. The RR spectra of Ni(HOEBC) were acquired with a variety of excitation wavelengths, near resonance with the B[sub x], Q[sub x], and Q[sub y] transitions. The enhancement pattern of the observed RR intensities reveals that the B[sub x]- and near-Q[sub y]-resonant spectra are dominated by Franck-Condon-active modes while the Q[sub x]-resonant spectrum is dominated by vibronically active modes. The B[sub x]-resonant spectrum also shows significant vibronic scattering, via coupling between the B[sub x]- and B[sub y]-excited states. Frequencies correlate well among Ni(II) complexes of octaethylporphine (OEP) and hydroporphyrins for modes containing similar local mode contributions, when allowance is made for C[sub beta]-C[sub beta] bond order reduction and the effects of symmetry lowering. Assignments are proposed for the existing RR data on bacteriochlorophyll a. 32 refs., 14 figs., 6 tabs.

  16. Normal modes of a small gamelan gong.

    Science.gov (United States)

    Perrin, Robert; Elford, Daniel P; Chalmers, Luke; Swallowe, Gerry M; Moore, Thomas R; Hamdan, Sinin; Halkon, Benjamin J

    2014-10-01

    Studies have been made of the normal modes of a 20.7 cm diameter steel gamelan gong. A finite-element model has been constructed and its predictions for normal modes compared with experimental results obtained using electronic speckle pattern interferometry. Agreement was reasonable in view of the lack of precision in the manufacture of the instrument. The results agree with expectations for an axially symmetric system subject to small symmetry breaking. The extent to which the results obey Chladni's law is discussed. Comparison with vibrational and acoustical spectra enabled the identification of the small number of modes responsible for the sound output when played normally. Evidence of non-linear behavior was found, mainly in the form of subharmonics of true modes. Experiments using scanning laser Doppler vibrometry gave satisfactory agreement with the other methods.

  17. Vibration mode shape control by prestressing

    Science.gov (United States)

    Holnicki-Szulc, Jan; Haftka, Raphael T.

    1992-01-01

    A procedure is described for reducing vibration at sensitive locations on a structure, by induced distortions. The emphasis is placed on the excitation in a narrow frequency band, so that only a small number of vibration modes contribute to the intensity of the forced response. The procedure is demonstrated on an antenna truss example, showing that, with repeated frequencies, it is very easy to move nodal lines of one of the modes.

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

    Science.gov (United States)

    Soler, Miguel A; Nelson, Tammie; Roitberg, Adrian E; Tretiak, Sergei; Fernandez-Alberti, Sebastian

    2014-11-13

    Using analytical excited-state gradients, vibrational normal modes have been calculated at the minimum of the electronic excited-state potential energy surfaces for a set of extended conjugated molecules with different coupling between them. Molecular model systems composed of units of polyphenylene ethynylene (PPE), polyphenylenevinylene (PPV), and naphthacene/pentacene (NP) have been considered. In all cases except the NP model, the influence of the nonadiabatic coupling on the excited-state equilibrium normal modes is revealed as a unique highest frequency adiabatic vibrational mode that overlaps with the coupling vector. This feature is removed by using a locally diabatic representation in which the effect of NA interaction is removed. Comparison of the original adiabatic modes with a set of vibrational modes computed in the locally diabatic representation demonstrates that the effect of nonadiabaticity is confined to only a few modes. This suggests that the nonadiabatic character of a molecular system may be detected spectroscopically by identifying these unique state-specific high frequency vibrational modes.

  19. Skyrmion Vibration Modes within the Rational Map Ansatz

    OpenAIRE

    Lin, W.T.; Piette, B.

    2008-01-01

    We study the vibration modes of the Skyrme model within the rational map ansatz. We show that the vibrations of the radial profiles and the rational maps are decoupled and we consider explicitly the cases B=1, B=2, and B=4. We then compare our results with the vibration modes obtained numerically by Barnes et al. and show that qualitatively the rational map reproduces the vibration modes obtained numerically but that the vibration frequencies of these modes do not match very well.

  20. Vibration modes and frequencies of structures

    Science.gov (United States)

    Durling, R. J.; Kvaternik, R. G.

    1980-01-01

    SUDAN, Substructuring in Direct Analysis, analyzes natural modes and frequencies of vibration of structural systems. Based on direct method of analysis that employs substructures methodology, program is used with structures that may be represented as equivalent system of beam, springs, and rigid bodies.

  1. 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.

  2. 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.

  3. Lattice vibrational modes and their frequency shifts in semiconductor nanowires.

    Science.gov (United States)

    Yang, Li; Chou, M Y

    2011-07-13

    We have performed first-principles calculations to study the lattice vibrational modes and their Raman activities in silicon nanowires (SiNWs). Two types of characteristic vibrational modes are examined: high-frequency optical modes and low-frequency confined modes. Their frequencies have opposite size dependence with a red shift for the optical modes and a blue shift for the confined modes as the diameter of SiNWs decreases. In addition, our calculations show that these vibrational modes can be detected by Raman scattering measurements, providing an efficient way to estimate the size of SiNWs.

  4. Function generator for synthesizing complex vibration mode patterns

    Science.gov (United States)

    Naumann, E. C.; Hagood, G. J., Jr. (Inventor)

    1973-01-01

    A simple highly flexible device for synthesizing complex vibration mode patterns is described. These mode patterns can be used to identify vibration mode data. This device sums selected sine and cosine functions and then plots the sum against a linear function.

  5. Hydrogen local vibrational modes in semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    McCluskey, Matthew D. [Univ. of California, Berkeley, CA (United States). Dept. of Physics

    1997-06-01

    Following, a review of experimental techniques, theory, and previous work, the results of local vibrational mode (LVM) spectroscopy on hydrogen-related complexes in several different semiconductors are discussed. Hydrogen is introduced either by annealing in a hydrogen ambient. exposure to a hydrogen plasma, or during growth. The hydrogen passivates donors and acceptors in semiconductors, forming neutral complexes. When deuterium is substituted for hydrogen. the frequency of the LVM decreases by approximately the square root of two. By varying the temperature and pressure of the samples, the microscopic structures of hydrogen-related complexes are determined. For group II acceptor-hydrogen complexes in GaAs, InP, and GaP, hydrogen binds to the host anion in a bond-centered orientation, along the [111] direction, adjacent to the acceptor. The temperature dependent shift of the LVMs are proportional to the lattice thermal energy U(T), a consequence of anharmonic coupling between the LVM and acoustical phonons. In the wide band gap semiconductor ZnSe, epilayers grown by metalorganic chemical vapor phase epitaxy (MOCVD) and doped with As form As-H complexes. The hydrogen assumes a bond-centered orientation, adjacent to a host Zn. In AlSb, the DX centers Se and Te are passivated by hydrogen. The second, third, and fourth harmonics of the wag modes are observed. Although the Se-D complex has only one stretch mode, the Se-H stretch mode splits into three peaks. The anomalous splitting is explained by a new interaction between the stretch LVM and multi-phonon modes of the lattice. As the temperature or pressure is varied, and anti-crossing is observed between LVM and phonon modes.

  6. Stability of normal modes of a polyatomic molecule under laser-induced modification of its geometry

    Science.gov (United States)

    Kornev, Aleksei S.; Chernov, Vladislav E.; Zon, Boris A.

    2017-12-01

    We show that the normal modes of a polyatomic molecule in a laser field coincide, to the first order in the field intensity, with the normal modes of free molecule. In the same approximation, we find analytical expressions for the field-modified equilibrium normal coordinates and field-modified harmonic vibrational frequencies.

  7. Inhibiting multiple mode vibration in controlled flexible systems

    Science.gov (United States)

    Hyde, James M.; Chang, Kenneth W.; Seering, Warren P.

    1991-01-01

    Viewgraphs on inhibiting multiple mode vibration in controlled flexible systems are presented. Topics covered include: input pre-shaping background; developing multiple-mode shapers; Middeck Active Control Experiment (MACE) test article; and tests and results.

  8. Free vibrations of an arbitrary structure in terms of component modes.

    Science.gov (United States)

    Dowell, E. H.

    1972-01-01

    A method for the analysis of the free vibrations of an arbitrary structure in terms of component modes is presented based upon the use of the normal, free-free modes of the components in a Rayleigh-Ritz analysis with the constraint or continuity conditions

  9. 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

  10. Ultrafast Dynamics of Vibration-Cavity Polariton Modes

    Science.gov (United States)

    Owrutsky, Jeff; Dunkelberger, Adam; Fears, Kenan; Simpkins, Blake; Spann, Bryan

    Vibrational modes of polymers, liquids, and solvated compounds can couple to Fabry-Perot optical cavity modes, creating vibration-cavity polariton modes whose energy tunes with the cavity length and incidence angle. Here we report the pump-probe infrared spectroscopy of vibration-cavity polaritons in cavity-coupled W(CO)6. At very early times, we observe quantum beating between the two polariton states find an anomalously low degree of excitation. After the quantum beating, we directly observe spectroscopic signatures of excited-state absorption from both polariton modes and uncoupled reservoir modes. An analytical expression for cavity transmission reproduces these signatures. The upper polariton mode relaxes ten times more quickly than the uncoupled vibrational mode and the polariton lifetime depends on the angle of incidence of the infrared pulses. Coupling to an optical cavity gives a means of control of the lifetime of vibration-cavity polaritons and could have important implications for chemical reactivity in vibrationally excited molecules.

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

    Science.gov (United States)

    Levy, Roy

    1993-01-01

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

  12. 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 ...

  13. Improved orthogonality check for measured modes. [from ground vibration testing of structures

    Science.gov (United States)

    Berman, A.

    1980-01-01

    A method is proposed for performing an orthogonality check for normal modes derived from ground vibration testing. The method utilizes partitioned mass and stiffness matrices for a linear undamped representation of a structure. The normalization of the modes by the proposed method inherently includes the effects of significant displacements which were not measured; and the method may allow the use of fewer measurement points than would be necessary with the conventional method.

  14. [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.

  15. Automobile Road Vibration Reproduction using Sliding Modes

    NARCIS (Netherlands)

    Monsees, G.; Scherpen, J.M.A.

    2001-01-01

    Sliding mode controllers have a reputation for their robustness against parameter variations, modeling errors and disturbances. They have been successfully applied in several practical situations which demonstrated the potential of sliding mode control for other control problems. However research

  16. Normal modes and mode transformation of pure electron vortex beams.

    Science.gov (United States)

    Thirunavukkarasu, G; Mousley, M; Babiker, M; Yuan, J

    2017-02-28

    Electron vortex beams constitute the first class of matter vortex beams which are currently routinely produced in the laboratory. Here, we briefly review the progress of this nascent field and put forward a natural quantum basis set which we show is suitable for the description of electron vortex beams. The normal modes are truncated Bessel beams (TBBs) defined in the aperture plane or the Fourier transform of the transverse structure of the TBBs (FT-TBBs) in the focal plane of a lens with the said aperture. As these modes are eigenfunctions of the axial orbital angular momentum operator, they can provide a complete description of the two-dimensional transverse distribution of the wave function of any electron vortex beam in such a system, in analogy with the prominent role Laguerre-Gaussian (LG) beams played in the description of optical vortex beams. The characteristics of the normal modes of TBBs and FT-TBBs are described, including the quantized orbital angular momentum (in terms of the winding number l) and the radial index p>0. We present the experimental realization of such beams using computer-generated holograms. The mode analysis can be carried out using astigmatic transformation optics, demonstrating close analogy with the astigmatic mode transformation between LG and Hermite-Gaussian beams.This article is part of the themed issue 'Optical orbital angular momentum'. © 2017 The Author(s).

  17. 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.

  18. Spatiotemporal analysis of normal and pathological human vocal fold vibrations.

    Science.gov (United States)

    Krausert, Christopher R; Liang, Yufang; Zhang, Yu; Rieves, Adam L; Geurink, Kyle R; Jiang, Jack J

    2012-01-01

    For spatiotemporal analysis to become a relevant clinical tool, it must be applied to human vocal fold vibration. Receiver operating characteristic (ROC) analysis will help assess the ability of spatiotemporal parameters to detect pathological vibration. Spatiotemporal parameters of correlation length and entropy were extracted from high-speed videos of 124 subjects, 67 without vocal fold pathology and 57 with either vocal fold polyps or nodules. Mann-Whitney rank sum tests were performed to compare normal vocal fold vibrations to pathological vibrations, and ROC analysis was used to assess the diagnostic value of spatiotemporal analysis. A statistically significant difference was found between the normal and pathological groups in both correlation length (P nodules and polyps groups in either correlation length (P = .227) or entropy (P = .943). The ROC analysis showed an area under the curve of 0.63 for correlation length and 0.51 for entropy. Although they could not effectively distinguish vibration of vocal folds with nodules from those with polyps, the spatiotemporal parameters correlation length and entropy exhibit the ability to differentiate normal and pathological vocal fold vibration and may represent a diagnostic tool for objectively detecting abnormal vibration in the future, especially in neurological voice disorders and vocal folds without a visible lesion. Copyright © 2012 Elsevier Inc. All rights reserved.

  19. Beyond local group modes in vibrational sum frequency generation.

    Science.gov (United States)

    Chase, Hilary M; Psciuk, Brian T; Strick, Benjamin L; Thomson, Regan J; Batista, Victor S; Geiger, Franz M

    2015-04-09

    We combine deuterium labeling, density functional theory calculations, and experimental vibrational sum frequency generation spectroscopy into a form of "counterfactual-enabled molecular spectroscopy" for producing reliable vibrational mode assignments in situations where local group mode approximations are insufficient for spectral interpretation and vibrational mode assignments. We demonstrate the method using trans-β-isoprene epoxydiol (trans-β-IEPOX), a first-generation product of isoprene relevant to atmospheric aerosol formation, and one of its deuterium-labeled isotopologues at the vapor/silica interface. We use our method to determine that the SFG responses that we obtain from trans-β-IEPOX are almost exclusively due to nonlocal modes involving multiple C-H groups oscillating at the same frequency as one vibrational mode. We verify our assignments using deuterium labeling and use DFT calculations to predict SFG spectra of additional isotopologues that have not yet been synthesized. Finally, we use our new insight to provide a viable alternative to molecular orientation analysis methods that rely on local mode approximations in cases where the local mode approximation is not applicable.

  20. Broadband vibration energy harvester utilizing three out-of-plane modes of one vibrating body

    Science.gov (United States)

    Park, Shi-Baek; Jang, Seon-Jun; Kim, In-Ho; Choi, Yong Je

    2017-10-01

    In this paper, we introduce the concept, design equation, and realization of a broadband electromagnetic vibrational energy harvester. The spatial vibrating system in the proposed harvester is arranged to have three out-of-plane vibration modes. We devise the design method for its three natural frequencies and accompanying modes and apply it to the broadband energy harvesting by locating three frequencies close to each other. The numerical simulation and the experimental results show that it satisfies the designated frequencies as well as the enhanced bandwidth for power generation.

  1. Fundamental vibrational mode in a highly inhomogeneous star

    OpenAIRE

    Bastrukov, S. I.; Chang, H. -K.; Wu, E. -H.; Molodtsova, I. V.

    2008-01-01

    The eigenfrequency problem of fundamental vibrational mode in a highly inhomogeneous star, modeled by self-gravitating mass of viscous liquid with singular density at the center, is considered in juxtaposition with that for Kelvin fundamental mode in the liquid star model with uniform density. Particular attention is given to the difference between spectral equations for the frequency and lifetime of f-mode in the singular and homogeneous star models. The newly obtained results are discussed ...

  2. 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.

  3. Normal Modes Expose Active Sites in Enzymes

    Science.gov (United States)

    Glantz-Gashai, Yitav; Samson, Abraham O.

    2016-01-01

    Accurate prediction of active sites is an important tool in bioinformatics. Here we present an improved structure based technique to expose active sites that is based on large changes of solvent accessibility accompanying normal mode dynamics. The technique which detects EXPOsure of active SITes through normal modEs is named EXPOSITE. The technique is trained using a small 133 enzyme dataset and tested using a large 845 enzyme dataset, both with known active site residues. EXPOSITE is also tested in a benchmark protein ligand dataset (PLD) comprising 48 proteins with and without bound ligands. EXPOSITE is shown to successfully locate the active site in most instances, and is found to be more accurate than other structure-based techniques. Interestingly, in several instances, the active site does not correspond to the largest pocket. EXPOSITE is advantageous due to its high precision and paves the way for structure based prediction of active site in enzymes. PMID:28002427

  4. 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.

  5. Mapping vibrational surface and bulk modes in a single nanocube

    Science.gov (United States)

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

    2017-03-01

    Imaging of vibrational excitations in and near nanostructures is essential for developing low-loss infrared nanophotonics, controlling heat transport in thermal nanodevices, inventing new thermoelectric materials and understanding nanoscale energy transport. Spatially resolved electron energy loss spectroscopy has previously been used to image plasmonic behaviour in nanostructures in an electron microscope, but hitherto it has not been possible to map vibrational modes directly in a single nanostructure, limiting our understanding of phonon coupling with photons and plasmons. Here we present spatial mapping of optical and acoustic, bulk and surface vibrational modes in magnesium oxide nanocubes using an atom-wide electron beam. We find that the energy and the symmetry of the surface polariton phonon modes depend on the size of the nanocubes, and that they are localized to the surfaces of the nanocube. We also observe a limiting of bulk phonon scattering in the presence of surface phonon modes. Most phonon spectroscopies are selectively sensitive to either surface or bulk excitations; therefore, by demonstrating the excitation of both bulk and surface vibrational modes using a single probe, our work represents advances in the detection and visualization of spatially confined surface and bulk phonons in nanostructures.

  6. The diffraction signatures of individual vibrational modes in polyatomic molecules

    Science.gov (United States)

    Ryu, Seol; Weber, Peter M.; Stratt, Richard M.

    2000-01-01

    Though one normally thinks of single-molecule diffraction studies as tools for eliciting molecular geometry, molecular diffraction patterns are really the Fourier transforms of complete molecular wave functions. There is thus at least the possibility of imaging the vibrational wave functions of polyatomic molecules by means of a pump-probe diffraction experiment: the pump laser could prepare a specific vibrational state and an electron or x-ray could then be diffracted off the molecule some short time later. The present paper develops the general theory of diffraction signatures for individual vibrational wave functions in polyatomic molecules and investigates the feasibility of seeing such signatures experimentally using the example of a linear triatomic molecule modeled after CS2. Although aligned molecules in specific vibrational quantum states turn out to exhibit very characteristic diffraction signatures, the signatures of the vibrational wave functions are partially washed out for the complete isotropy expected from gas phase molecules. Nonetheless, it is possible to design a diffraction experiment using a pump-dump sequence with a polarized laser beam which will select a nonisotropic sample of vibrationally excited molecules. We show that the resulting level of anisotropy should enhance the diffraction signature, helping to distinguish different vibrational components. These model calculations therefore suggest the possibility of observing the dynamics of vibrational wave packets using experimentally realizable diffraction techniques.

  7. Analytical Harmonic Vibrational Frequencies for the Green Fluorescent Protein Computed with ONIOM: Chromophore Mode Character and Its Response to Environment.

    Science.gov (United States)

    Thompson, Lee M; Lasoroski, Aurélie; Champion, Paul M; Sage, J Timothy; Frisch, Michael J; van Thor, Jasper J; Bearpark, Michael J

    2014-02-11

    A systematic comparison of different environmental effects on the vibrational modes of the 4-hydroxybenzylidene-2,3-dimethylimidazolinone (HBDI) chromophore using the ONIOM method allows us to model how the molecule's spectroscopic transitions are modified in the Green Fluorescent Protein (GFP). ONIOM(QM:MM) reduces the expense of normal mode calculations when computing the majority of second derivatives only at the MM level. New developments described here for the efficient solution of the CPHF equations, including contributions from electrostatic interactions with environment charges, mean that QM model systems of ∼100 atoms can be embedded within a much larger MM environment of ∼5000 atoms. The resulting vibrational normal modes, their associated frequencies, and dipole derivative vectors have been used to interpret experimental difference spectra (GFPI2-GFPA), chromophore vibrational Stark shifts, and changes in the difference between electronic and vibrational transition dipoles (mode angles) in the protein environment.

  8. Electric field generated by axial longitudinal vibration modes of microtubule.

    Science.gov (United States)

    Cifra, M; Pokorný, J; Havelka, D; Kucera, O

    2010-05-01

    Microtubules are electrically polar structures fulfilling prerequisites for generation of oscillatory electric field in the kHz to GHz region. Energy supply for excitation of elasto-electrical vibrations in microtubules may be provided from GTP-hydrolysis; motor protein-microtubule interactions; and energy efflux from mitochondria. We calculated electric field generated by axial longitudinal vibration modes of microtubules for random, and coherent excitation. In case of coherent excitation of vibrations, the electric field intensity is highest at the end of microtubule. The dielectrophoretic force exerted by electric field on the surrounding molecules will influence the kinetics of microtubule polymerization via change in the probability of the transport of charge and mass particles. The electric field generated by vibrations of electrically polar cellular structures is expected to play an important role in biological self-organization. 2010 Elsevier Ireland Ltd. All rights reserved.

  9. CO laser photoacoustic spectra and vibrational modes of heroin ...

    Indian Academy of Sciences (India)

    Abstract. 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 µm and 10.6 µm regions of CO2 laser. It is very difficult to assign the modes of vibrations for PA bands by comparison with ...

  10. 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 ...

  11. Vibrational spectra and normal coordinate analysis on structure of ...

    Indian Academy of Sciences (India)

    journal of. December 2008 physics pp. 1291–1300. Vibrational spectra and normal coordinate analysis on structure of chlorambucil and thioguanine. S GUNASEKARAN1, S KUMARESAN2,∗, ... methoprexate are most effective in the treatment of leukemia [5–10] in children. Thioguanine interferes with the conversion of ...

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

    Energy Technology Data Exchange (ETDEWEB)

    Kampanarakis, Alexandros [Department of Chemistry, University of Crete, and Institute of Electronic Structure and Laser, Foundation for Research and Technology-Hellas (FORTH), Vasilika Vouton, Heraklion 71110, Crete (Greece); Farantos, Stavros C., E-mail: farantos@iesl.forth.gr [Department of Chemistry, University of Crete, and Institute of Electronic Structure and Laser, Foundation for Research and Technology-Hellas (FORTH), Vasilika Vouton, Heraklion 71110, Crete (Greece); Daskalakis, Vangelis; Varotsis, Constantinos [Department of Environmental Science and Technology, Cyprus University of Technology, 31 Archbishop Kyprianos St., P.O. Box 50329, 3603 Lemesos (Cyprus)

    2012-05-03

    Graphical abstract: Vibrational frequency shifts in Fe{sup 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: Black-Right-Pointing-Pointer Periodic orbits are extended to multidimensional potentials of biomolecules. Black-Right-Pointing-Pointer Highly anharmonic vibrational modes and center-saddle bifurcations are detected. Black-Right-Pointing-Pointer 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{sup IV} = O species.

  13. Two-mode elliptical-core weighted fiber sensors for vibration analysis

    Science.gov (United States)

    Vengsarkar, Ashish M.; Murphy, Kent A.; Fogg, Brian R.; Miller, William V.; Greene, Jonathan A.; Claus, Richard O.

    1992-01-01

    Two-mode, elliptical-core optical fibers are demonstrated in weighted, distributed and selective vibration-mode-filtering applications. We show how appropriate placement of optical fibers on a vibrating structure can lead to vibration mode filtering. Selective vibration-mode suppression on the order of 10 dB has been obtained using tapered two-mode, circular-core fibers with tapering functions that match the second derivatives of the modes of vibration to be enhanced. We also demonstrate the use of chirped, two-mode gratings in fibers as spatial modal sensors that are equivalents of shaped piezoelectric sensors.

  14. Observation of sound-induced corneal vibrational modes by optical coherence tomography

    OpenAIRE

    Akca, B. Imran; Chang, Ernest W.; Kling, Sabine; Ramier, Antoine; Scarcelli, Giuliano; Marcos, Susana; Yun, Seok H.

    2015-01-01

    The mechanical stability of the cornea is critical for maintaining its normal shape and refractive function. Here, we report an observation of the mechanical resonance modes of the cornea excited by sound waves and detected by using phase-sensitive optical coherence tomography. The cornea in bovine eye globes exhibited three resonance modes in a frequency range of 50-400 Hz. The vibration amplitude of the fundamental mode at 80-120 Hz was ~8 µm at a sound pressure level of 100 dB (2 Pa). Vibr...

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

    Science.gov (United States)

    Aloy, M Á; Adsuara, J E; Cerdá-Durán, P; Obergaulinger, M; Esteve-Taboada, J J; Ferrer-Blasco, T; Montés-Micó, R

    2017-01-01

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Silva, M.A.T. da, E-mail: seaquinhos@uel.br [Departamento de Fisica, Universidade Estadual de Londrina-UEL, PR 445 Km 380, CP6001, CEP 86051-970 Londrina, Parana (Brazil); Dias, I.F.L. [Departamento de Fisica, Universidade Estadual de Londrina-UEL, PR 445 Km 380, CP6001, CEP 86051-970 Londrina, Parana (Brazil); Santos, E.P. dos; Martins, A.A. [Departamento de Fisica, Universidade Vale do Paraiba-UNIVAP, Avenida Shishima Hifumi, 2911, CEP 12244-000 Sao Jose dos Campos, Sao Paulo (Brazil); Duarte, J.L.; Laureto, E.; Reis, G.A. dos [Departamento de Fisica, Universidade Estadual de Londrina-UEL, PR 445 Km 380, CP6001, CEP 86051-970 Londrina, Parana (Brazil); Guimaraes, P.S.S.; Cury, L.A. [Departamento de Fisica, Instituto de Ciencias Exatas, Universidade Federal de Minas Gerais, C.P. 702, Belo Horizonte, CEP 30123-970 Minas Gerais (Brazil)

    2013-02-15

    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{sub (01)}/I{sub (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: Black-Right-Pointing-Pointer MEH-PPV and BDMO-PPV films were deposited by spin-coating on dirty textile. Black-Right-Pointing-Pointer Their properties were studied by photoluminescence and Raman techniques. Black-Right-Pointing-Pointer We observed inversion of first vibrational band in relation to purely electronic peak. Black-Right-Pointing-Pointer Optically active vibrational modes of PPV derivatives were studied.

  17. Displacement of polarons by vibrational modes in doped conjugated polymers

    Science.gov (United States)

    Anderson, M.; Ramanan, C.; Fontanesi, C.; Frick, A.; Surana, S.; Cheyns, D.; Furno, M.; Keller, T.; Allard, S.; Scherf, U.; Beljonne, D.; D'Avino, G.; von Hauff, E.; Da Como, E.

    2017-10-01

    Organic pi-conjugated polymers are deemed to be soft materials with strong electron-phonon coupling, which results in the formation of polarons, i.e., charge carriers dressed by self-localized distortion of the nuclei. Universal signatures for polarons are optical resonances below the band gap and intense vibrational modes (IVMs), both found in the infrared (IR) spectral region. Here, we study p -doped conjugated homo- and copolymers by combining first-principles modelling and optical spectroscopy from the far-IR to the visible. Polaronic IVMs are found to feature absorption intensities comparable to purely electronic transitions and, most remarkably, show only loose resemblance to the Raman or IR-active modes of the neutral polymer. The IVM frequency is dramatically scaled down (up to 50%) compared to the backbone carbon-stretching modes in the pristine polymers. The very large intensity of IVMs is associated with displacement of the excess positive charge along the backbone driven by specific vibrational modes. We propose a quantitative picture for the identification of these polaron shifting modes that solely based on structural information, directly correlates with their IR intensity. This finding finally discloses the elusive microscopic mechanism behind the huge IR intensity of IVMs in doped polymeric semiconductors.

  18. Piezoelectric nonlinear vibration focusing on the second-harmonic vibration mode.

    Science.gov (United States)

    Ozaki, Ryohei; Liu, Yaoyang; Hosaka, Hiroshi; Morita, Takeshi

    2018-01-01

    Resonant piezoelectric devices are driven under high power condition. In such condition, a nonlinear piezoelectric vibration becomes apparent and this nonlinearity should be taken into account in the design procedure using the finite elemental method (FEM). The purpose of this study is to introduce the nonlinear parameter to the FEM and to establish the method for measuring the nonlinear parameter through evaluating a nonlinear model for a piezoelectric vibration. In a previous study about the nonlinear piezoelectric vibration, the third term was mainly focused on because the third mode vibration affects the fundamental vibration in the case of a simple bar-type transducer. On the other hand, we considered the second nonlinear parameter of the compliance to the piezoelectric constitutive equation. We observed that this parameter affects the vibration amplitude with each position and the velocity at the tip of the transducer with a double frequency at resonant. It was confirmed that two measured nonlinear parameters based on these two relationships were almost same. From these values, we concluded that the proposed model is reasonable. Copyright © 2017. Published by Elsevier B.V.

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

    Energy Technology Data Exchange (ETDEWEB)

    Thompson, Michael C.; Weber, J. Mathias, E-mail: weberjm@jila.colorado.edu [JILA, University of Colorado at Boulder, 440 UCB, Boulder, Colorado 80309-0440 (United States); Department of Chemistry and Biochemistry, University of Colorado at Boulder, 215UCB, Boulder, Colorado 80309-0215 (United States); Baraban, Joshua H. [Department of Chemistry and Biochemistry, University of Colorado at Boulder, 215UCB, Boulder, Colorado 80309-0215 (United States); Matthews, Devin A. [Institute for Computational Engineering and Science, University of Texas at Austin, 201 E. 24th St., Austin, Texas 78712 (United States); Stanton, John F. [Department of Chemistry and Biochemistry, University of Texas at Austin, 1 University Station A5300, Austin, Texas 78712-0165 (United States)

    2015-06-21

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

  20. Comparison of different ultrasonic vibration modes for post removal.

    Science.gov (United States)

    Braga, Neilor Mateus Antunes; Silva, Juliana Monteiro da; Carvalho-Júnior, Jacy Ribeiro de; Ferreira, Raquel Conceição; Saquy, Paulo César; Brito-Júnior, Manoel

    2012-01-01

    This in vitro study compared different ultrasonic vibration modes for intraradicular cast post removal. The crowns of 24 maxillary canines were removed, the roots were embedded in acrylic resin blocks, and the canals were treated endodontically. The post holes were prepared and root canal impressions were taken with self-cured resin acrylic. After casting, the posts were cemented with zinc phosphate cement. The samples were randomly distributed into 3 groups (n=8): G1: no ultrasonic vibration (control); G2: tip of the ultrasonic device positioned perpendicularly to core surface and close to the incisal edge; and G3: tip of the ultrasonic device positioned perpendicularly to core surface at cervical region, close to the line of cementation. An Enac OE-5 ultrasound unit with an ST-09 tip was used. All samples were submitted to the tensile test using an universal testing machine at a crosshead speed of 1 mm/min. Data were subjected to one-way ANOVA and Tukey's post-hoc tests (α=0.05). Mean values of the load to dislodge the posts (MPa) were: G1 = 4.6 (± 1.4) A; G2 = 2.8 (± 0.9) B, and G3= 0.9 (± 0.3) C. Therefore, the ultrasonic vibration applied with the tip of device close to the core's cervical area showed higher ability to reduce the retention of cast post to root canal.

  1. Vortex-induced vibration of a tension leg platform tendon: multi-mode limit cycle oscillations

    Science.gov (United States)

    Datta, Nabanita

    2017-11-01

    This paper studies the application of mathematical models to analyze the vortex-induced vibrations of the tendons of a given TLP along the Indian coastline, by using an analytical approach, analyzed using MATLAB. The tendon is subjected to a steady current load, which causes vortex-shedding downstream, leading to cross-flow vibrations. The magnitude of the excitation (lift and drag coefficients) depends on the vortex-shedding frequency. The resulting vibration is studied for possible resonant behavior. The excitation force is quantified empirically, the added mass by potential flow hydrodynamics, and the vibration by normal mode summation method. Non-linear viscous damping of the water is considered. The non-linear oscillations are studied by the phase-plane method, investigating the limit-cycle oscillations. The stable/unstable regions of the dynamic behavior are demarcated. The modal contribution to the total deflection is studied to establish the possibility of resonance of one of the wet modes with the vortex-shedding frequency.

  2. Vortex-induced vibration of a tension leg platform tendon: Multi-mode limit cycle oscillations

    Science.gov (United States)

    Datta, Nabanita

    2017-12-01

    This paper studies the application of mathematical models to analyze the vortex-induced vibrations of the tendons of a given TLP along the Indian coastline, by using an analytical approach, analyzed using MATLAB. The tendon is subjected to a steady current load, which causes vortex-shedding downstream, leading to cross-flow vibrations. The magnitude of the excitation (lift and drag coefficients) depends on the vortex-shedding frequency. The resulting vibration is studied for possible resonant behavior. The excitation force is quantified empirically, the added mass by potential flow hydrodynamics, and the vibration by normal mode summation method. Non-linear viscous damping of the water is considered. The non-linear oscillations are studied by the phase-plane method, investigating the limit-cycle oscillations. The stable/unstable regions of the dynamic behavior are demarcated. The modal contribution to the total deflection is studied to establish the possibility of resonance of one of the wet modes with the vortex-shedding frequency.

  3. Terahertz spectroscopy and solid-state density functional theory calculation of anthracene: Effect of dispersion force on the vibrational modes

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Feng; Tominaga, Keisuke, E-mail: atmyh@ntu.edu.tw, E-mail: tominaga@kobe-u.ca.jp, E-mail: junichi.nishizawa@hanken.jp [Molecular Photoscience Research Center, Kobe University, Nada, Kobe 657-0013 (Japan); Hayashi, Michitoshi, E-mail: atmyh@ntu.edu.tw, E-mail: tominaga@kobe-u.ca.jp, E-mail: junichi.nishizawa@hanken.jp; Wang, Houng-Wei [Center for Condensed Matter Sciences, National Taiwan University, 1 Roosevelt Rd., Sec. 4, Taipei 10617, Taiwan (China); Kambara, Ohki; Sasaki, Tetsuo [Research Institute of Electronics, Shizuoka University, 3-5-1 Jyohoku, Naka-ku, Hamamatsu, Shizuoka 432-8561 (Japan); Nishizawa, Jun-ichi, E-mail: atmyh@ntu.edu.tw, E-mail: tominaga@kobe-u.ca.jp, E-mail: junichi.nishizawa@hanken.jp [Jun-ichi Nishizawa Memorial Research Center, Tohoku University, 519-1176 Aoba, Aramaki, Aoba-ku, Sendai 980-0845 (Japan)

    2014-05-07

    The phonon modes of molecular crystals in the terahertz frequency region often feature delicately coupled inter- and intra-molecular vibrations. Recent advances in density functional theory such as DFT-D{sup *} have enabled accurate frequency calculation. However, the nature of normal modes has not been quantitatively discussed against experimental criteria such as isotope shift (IS) and correlation field splitting (CFS). Here, we report an analytical mode-decoupling method that allows for the decomposition of a normal mode of interest into intermolecular translation, libration, and intramolecular vibrational motions. We show an application of this method using the crystalline anthracene system as an example. The relationship between the experimentally obtained IS and the IS obtained by PBE-D{sup *} simulation indicates that two distinctive regions exist. Region I is associated with a pure intermolecular translation, whereas region II features coupled intramolecular vibrations that are further coupled by a weak intermolecular translation. We find that the PBE-D{sup *} data show excellent agreement with the experimental data in terms of IS and CFS in region II; however, PBE-D{sup *} produces significant deviations in IS in region I where strong coupling between inter- and intra-molecular vibrations contributes to normal modes. The result of this analysis is expected to facilitate future improvement of DFT-D{sup *}.

  4. C-H local modes in cyclobutene. II. Laser photoacoustic studies 10 000-17 000 cm-1. Vibrational structure and C-H local mode dynamics

    Science.gov (United States)

    Baggott, J. E.; Law, D. W.; Lightfoot, P. D.; Mills, I. M.

    1986-11-01

    In part I of this study [Baggott, Clase, and Mills, Spectrochim. Acta Part A 42, 319 (1986)] we presented FTIR spectra of gas phase cyclobutene and modeled the v=1-3 stretching states of both olefinic and methylenic C-H bonds in terms of a local mode model. In this paper we present some improvements to our original model and make use of recently derived ``x,K relations'' to find the equivalent normal mode descriptions. The use of both the local mode and normal mode approaches to modeling the vibrational structure is described in some detail. We present evidence for Fermi resonance interactions between the methylenic C-H stretch overtones and ring C-C stretch vibrations, revealed in laser photoacoustic spectra in the v=4-6 region. An approximate model vibrational Hamiltonian is proposed to explain the observed structure and is used to calculate the dynamics of the C-H stretch local mode decay resulting from interaction with lower frequency ring modes. The implications of our experimental and theoretical studies for mode-selective photochemistry are discussed briefly.

  5. Vibration modes of injured spine at resonant frequencies under vertical vibration.

    Science.gov (United States)

    Guo, Li-Xin; Zhang, Ming; Zhang, Yi-Min; Teo, Ee-Chon

    2009-09-01

    A detailed three-dimensional finite element model of the spine segment T12-Pelvis was developed to investigate dynamic characteristics of whole lumbar spine with injured cases. This study investigates the motion mechanism of the human lumbar spine and the effect of component injuries on adjacent spinal components under whole body vibration. Several investigations have analyzed the influence of injured spines on adjacent spinal components under static loadings. However, it is not clear how the spine injury affects dynamic characteristics of whole lumbar spine and adjacent components of the injured segment under vibration. The T12-Pelvis model was used to obtain the modal vibration modes of the spine at resonant frequencies. Injury conditions of the spine were simulated and tested, including denucleation and/or facetectomy with removal of capsular ligaments. The results indicate the first-order vertical resonant frequency of the intact model is 7.21 Hz. After the denucleation at L4-L5, it decreases by more than 4% compared with the intact condition. All the injured conditions including disc injury and ligament injury decrease the resonant frequency of the spine. Due to the denucleation at L4-L5 the anteroposterior displacements of the vertebrae from L2 to L5 decrease and the vertical displacements of the vertebrae from L1 to L4 increase under vibration. The denucleation also decreases the rotational deformations of the vertebrae from L1 to L5. The material property sensitivity analysis shows intervertebral discs have a dominating effect on variation of vertical resonant frequency of the spine. The denucleation may decrease cushioning effects of adjacent motion segments at the injured level under vibration. The injured condition may increase the vertical displacement amplitudes of the spine above the injured level. All the injured conditions may decrease the resonant frequency of the spine system.

  6. 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.

  7. Laser ultrasonic analysis of normal modes generated by a voltage pulse on an AT quartz sensor.

    Science.gov (United States)

    Goossens, Jozefien; Martinez, Loïc; Glorieux, Christ; Wilkie-Chancellier, Nicolas; Ehssein, Chighali Ould; Serfaty, Stéphane

    2006-12-22

    Laser ultrasonic detection is a versatile and highly sensitive tool for the observation of surface waves. In the following study, laser ultrasonic detection is used for the experimental study of spurious normal vibration modes of a disk quartz sensor excited by a voltage pulse. The AT cut crystal (cut of the crystal relative to the the main crystallographic axis is 35.25 degrees) is optimal for generating mainly thickness-shear vibrations (central frequency 6 MHz) on the quartz surface. However, resulting from shear-to-longitudinal and shear-to-surface mode conversion, and from the weak coupling with the other crystallographic axes, other modes (thickness-compressional and bending modes) are always present in the plate response. Since the laser vibrometer is sensitive to normal displacements, the laser investigation shows waves that can be considered as unwanted for the AT quartz used as a shear sensor. The scanned three dimensional (3D) amplitude-space-time signals are carefully analysed using their representation in three dual Fourier domains (space-time, wave number-frequency). Results on the transient analysis of the waves, the normal bending modes and the dispersion curves are shown.

  8. Vibrational relaxation pathways of AI and AII modes in N-methylacetamide clusters

    NARCIS (Netherlands)

    Piatkowski, L.; Bakker, H.J.

    2010-01-01

    We studied the pathways of vibrational energy relaxation of the amide I (~1660 cm-1) and amide II (~1560 cm-1) vibrational modes of N-methylacetamide (NMA) in CCl4 solution using two-color femtosecond vibrational spectroscopy. We measured the transient spectral dynamics upon excitation of each of

  9. Deviations of frequency and the mode of vibration of commercially available whole-body vibration training devices.

    Science.gov (United States)

    Kaeding, T S

    2015-06-01

    Research in the field of whole body vibration (WBV) training and the use of it in practice might be hindered by the fact that WBV training devices generate and transmit frequencies and/or modes of vibration which are different to preset adjustments. This research project shall clarify how exact WBV devices apply the by manufacturer information promised preset frequency and mode of vibration. Nine professional devices for WBV training were tested by means of a tri-axial accelerometer. The accelerations of each device were recorded under different settings with a tri-axial accelerometer. Beneath the measurement of different combinations of preset frequency and amplitude the repeatability across 3 successive measurements with the same preset conditions and one measurement under loaded condition were carried out. With 3 exceptions (both Board 3000 & srt medical PRO) we did not find noteworthy divergences between preset and actual applied frequencies. In these 3 devices we found divergences near -25%. Loading the devices did not affect the applied frequency or mode of vibration. There were no important divergences measurable for the applied frequency and mode of vibration regarding repeatability. The results of our measurements cannot be generalized as we only measured one respectively at most two devices of one model in terms of a random sample. Based on these results we strongly recommend that user in practice and research should analyse their WBV training devices regarding applied frequency and mode of vibration.

  10. Normal modes and quality factors of spherical dielectric resonators: I ...

    Indian Academy of Sciences (India)

    Parameters suitable for their application in the optical and microwave frequency ranges have been used to compute the frequencies corresponding to the normal modes for the TE and TM modes. Expressions for the quality factors for realistic resonators, i.e., for a dielectric sphere with a non-zero conductivity and a metal ...

  11. Assessing the Comprehensive Seismic Earth Model using normal mode data

    Science.gov (United States)

    Koelemeijer, Paula; Afanasiev, Michael; Fichtner, Andreas; Gokhberg, Alexey

    2016-04-01

    Advances in computational resources and numerical methods allow the simulation of realistic seismic wave propagation through complex media, while ensuring that the complete wave field is correctly represented in synthetic seismograms. This full waveform inversion is widely applied on regional and continental scales, where particularly dense data sampled can be achieved leading to an increased resolution in the obtained model images. On a global scale, however, full waveform tomography is still and will continue to be limited to longer length scales due to the large computational costs. Normal mode tomography provides an alternative fast full waveform approach for imaging seismic structures in a global way. Normal modes are not limited by the poor station-earthquake distribution and provide sensitivity to density structure. Using normal modes, a more robust long wavelength background model can be obtained, leading to more accurate absolute velocity models for tectonic and mineral physics interpretations. In addition, it is vital to combine all seismic data types across accessible periods to obtain a more complete, consistent and interpretable image of the Earth's interior. Here, we aim to combine the globally sensitive long period normal modes with shorter period full waveform modelling within the multi-scale framework of the Comprehensive Seismic Earth Model (CSEM). The multi-scale inversion framework of the CSEM allows exploitation of the full waveform capacity on both sides of the seismic spectrum. As the CSEM includes high-resolution subregions with velocity variations at much shorter wavelengths than normal modes could constrain, the question arises whether these small-scale variations are noticeable in normal mode data, and which modes respond in particular. We report here on experiments in which we address these questions. We separately investigate the effects of small-scale variations in shear-wave velocity and compressional wave velocity compared to the

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-11-15

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

  13. Multiscale studies on the nonlinear vibration of delaminated composite laminates-global vibration mode with micro buckles on the interfaces.

    Science.gov (United States)

    Xue, Jianghong; Xia, Fei; Ye, Jun; Zhang, Jianwen; Chen, Shuhua; Xiong, Ying; Tan, Zuyuan; Liu, Renhuai; Yuan, Hong

    2017-06-30

    This paper presents a multiscale approach to study the nonlinear vibration of fiber reinforced composite laminates containing an embedded, through-width delamination dividing the laminate into four sub-laminates. The equations of motion are established from macroscopic nonlinear mechanics for plates and shells and micro-mechanics of composite material to allow for the influences of large amplitude, membrane stretching in the neutral plane, and the interactions of the sublaminates. Analytical solutions obtained in this paper reveal that the interaction penalty at the interfaces plays a coupling effect between sublaminates, which eventually alters the vibration characters of the four-sublaminate lamina in macroscopic and microscopic mechanism. From a macro perspective, sub-laminates above and below the delamination vibrate in exactly the same mode in spite of their different stiffness and the four-sublaminate lamina has a consistent global vibration mode. In accompanying with the macro vibration, micro buckles occur on the interfaces of the delamination with amplitude about 10(-3) times of that of the global mode. It is found that the vibration frequency is an eigenvalue of the delaminated lamina determined only by the geometry of the delamination. Authentication of the multiscale study is fulfilled by comparing the analytical solutions with the FEA results.

  14. Vibrational modes of the Cu(100)-c(2x2)-Pd surface

    DEFF Research Database (Denmark)

    Stoltze, Per; Hannon, J.B.; Ibach, H.

    1996-01-01

    The vibrational modes of the surface have been measured using electron-energy loss spectroscopy. The measured mode energies are compared to dynamical models with parameters taken from effective medium theory. Strong Pd-Cu interplanar bonding gives rise to nearly degenerate Pd and Cu vibrations (95...... cm(-1)) at the (X) over bar point, despite the large mass difference of the ions. Upon low-temperature annealing of the surface, overlayer islands of pure Cu coalesce and order. These overlayer islands are characterized by a high-energy vibrational mode near 128 cm(-1) which grows in intensity upon...

  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. Vibration Mode Observation of Piezoelectric Disk-type Resonator by High Frequency Laser Doppler Vibrometer

    Science.gov (United States)

    Matsumura, Takeshi; Esashi, Masayoshi; Harada, Hiroshi; Tanaka, Shuji

    For future mobile phones based on cognitive radio technology, a compact multi-band RF front-end architecture is strongly required and an integrated multi-band RF filter bank is a key component in it. Contour-mode resonators are receiving increased attention for a multi-band filter solution, because its resonant frequency is mainly determined by its size and shape, which are defined by lithography. However, spurious responses including flexural vibration are also excited due to its thin structure. To improve resonator performance and suppress spurious modes, visual observation with a laser probe system is very effective. In this paper, we have prototyped a mechanically-coupled disk-array filter, which consists of a Si disk and 2 disk-type resonators of higher-order wine-glass mode, and observed its vibration modes using a high-frequency laser-Doppler vibrometer (UHF-120, Polytec, Inc.). As a result, it was confirmed that higher order wine-glass mode vibration included a compound displacement, and that its out-of-plane vibration amplitude was much smaller than other flexural spurious modes. The observed vibration modes were compared with FEM (Finite Element Method) simulation results. In addition, it was also confirmed that the fabrication error, e.g. miss-alignment, induced asymmetric vibration.

  17. Vibrational relaxation in simulated two-dimensional infrared spectra of two amide modes in solution

    NARCIS (Netherlands)

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

    2007-01-01

    Two-dimensional infrared spectroscopy is capable of following the transfer of vibrational energy between modes in real time. We develop a method to include vibrational relaxation in simulations of two-dimensional infrared spectra at finite temperature. The method takes into account the correlated

  18. 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...

  19. Blade Vibration Measurement System for Characterization of Closely Spaced Modes and Mistuning Project

    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...

  20. Nanoantenna-assisted plasmonic enhancement of IR absorption of vibrational modes of organic molecules

    Directory of Open Access Journals (Sweden)

    Alexander G. Milekhin

    2017-05-01

    Full Text Available Nanoantenna-assisted plasmonic enhancement of IR absorption and Raman scattering was employed for studying the vibrational modes in organic molecules. Ultrathin cobalt phthalocyanine films (3 nm were deposited on Au nanoantenna arrays with specified structural parameters. The deposited organic films reveal the enhancement of both Raman scattering and IR absorption vibrational modes. To extend the possibility of implementing surface-enhanced infrared absorption (SEIRA for biological applications, the detection and analysis of the steroid hormone cortisol was demonstrated.

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

    Science.gov (United States)

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

    2008-05-01

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

  2. Vibrational relaxation of the H2O bending mode in liquid water.

    Science.gov (United States)

    Larsen, Olaf F A; Woutersen, Sander

    2004-12-22

    We have studied the vibrational relaxation of the H(2)O bending mode in an H(2)O:HDO:D(2)O isotopic mixture using infrared pump-probe spectroscopy. The transient spectrum and its delay dependence reveal an anharmonic shift of 55+/-10 cm(-1) for the H(2)O bending mode, and a value of 400+/-30 fs for its vibrational lifetime. (c) 2004 American Institute of Physics.

  3. 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.

  4. Extended and localized vibrational modes in (1-3) Penrose-like piezocomposites

    Science.gov (United States)

    Montero de Espinosa, F.; Torres, M.

    1994-09-01

    Acoustic vibrational modes of piezocomposites with ceramic bars arranged at the vertices of both perfect Penrose tilings and random Penrose tilings have directly been observed by recording the corresponding standing vibration amplitude pattern. The random Penrose tiling exhibits similar although smoother spectrum than the perfect Penrose one. For both structures, the existence of extended and localized modes is shown. Resonances frequencies at the edges of the spectrum pseudogap correspond to localized and highly entropic modes. As expected, the modes are more localized in the random Penrose tiling case.

  5. 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.

  6. Component mode synthesis and large deflection vibration of complex structures. Volume 3: Multiple-mode nonlinear free and forced vibrations of beams using finite element method

    Science.gov (United States)

    Mei, Chuh; Shen, Mo-How

    1987-01-01

    Multiple-mode nonlinear forced vibration of a beam was analyzed by the finite element method. Inplane (longitudinal) displacement and inertia (IDI) are considered in the formulation. By combining the finite element method and nonlinear theory, more realistic models of structural response are obtained more easily and faster.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-12-15

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

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

    Directory of Open Access Journals (Sweden)

    Rumeng Liu

    2015-12-01

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

  9. Relationships between nonlinear normal modes and response to random inputs

    Science.gov (United States)

    Schoneman, Joseph D.; Allen, Matthew S.; Kuether, Robert J.

    2017-02-01

    The ability to model nonlinear structures subject to random excitation is of key importance in designing hypersonic aircraft and other advanced aerospace vehicles. When a structure is linear, superposition can be used to construct its response to a known spectrum in terms of its linear modes. Superposition does not hold for a nonlinear system, but several works have shown that a system's dynamics can still be understood qualitatively in terms of its nonlinear normal modes (NNMs). This work investigates the connection between a structure's undamped nonlinear normal modes and the spectrum of its response to high amplitude random forcing. Two examples are investigated: a spring-mass system and a clamped-clamped beam modeled within a geometrically nonlinear finite element package. In both cases, an intimate connection is observed between the smeared peaks in the response spectrum and the frequency-energy dependence of the nonlinear normal modes. In order to understand the role of coupling between the underlying linear modes, reduced order models with and without modal coupling terms are used to separate the effect of each NNM's backbone from the nonlinear couplings that give rise to internal resonances. In the cases shown here, uncoupled, single-degree-of-freedom nonlinear models are found to predict major features in the response with reasonable accuracy; a highly inexpensive approximation such as this could be useful in design and optimization studies. More importantly, the results show that a reduced order model can be expected to give accurate results only if it is also capable of accurately predicting the frequency-energy dependence of the nonlinear modes that are excited.

  10. Interactions between directly- and parametrically-driven vibration modes in a micromechanical resonator

    NARCIS (Netherlands)

    Westra, H.J.R.; Karabacak, D.M.; Brongersma, S.H.; Crego-Calama, M.; Van der Zant, H.S.J.; Venstra, W.J.

    2011-01-01

    The interactions between parametrically- and directly-driven vibration modes of a clamped-clamped beam resonator are studied. An integrated piezoelectric transducer is used for direct and parametric excitation. First, the parametric amplification and oscillation of a single mode are analyzed by the

  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. 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 non-linear 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 non-linear extrapolation of motion out of these velo...

  13. Dynamical transition in proteins and non-Gaussian behavior of low-frequency modes in self-consistent normal mode analysis.

    Science.gov (United States)

    Guo, Jianguang; Budarz, Timo; Ward, Joshua M; Prohofsky, Earl W

    2010-10-01

    Self-consistent normal mode analysis (SCNMA) is applied to heme c type cytochrome f to study temperature-dependent protein motion. Classical normal mode analysis assumes harmonic behavior and the protein mean-square displacement has a linear dependence on temperature. This is only consistent with low-temperature experimental results. To connect the protein vibrational motions between low and physiological temperatures, we have incorporated a fitted set of anharmonic potentials into SCNMA. In addition, quantum harmonic-oscillator theory has been used to calculate the displacement distribution for individual vibrational modes. We find that the modes involving soft bonds exhibit significant non-Gaussian dynamics at physiological temperature, which suggests that it may be the cause of the non-Gaussian behavior of the protein motions probed by elastic incoherent neutron scattering. The combined theory displays a dynamical transition caused by the softening of few "torsional" modes in the low-frequency regime ( 0.6 ps). These modes change from Gaussian to a classical distribution upon heating. Our theory provides an alternative way to understand the microscopic origin of the protein dynamical transition.

  14. Elastic network normal mode dynamics reveal the GPCR activation mechanism.

    Science.gov (United States)

    Kolan, Dikla; Fonar, Gennadiy; Samson, Abraham O

    2014-04-01

    G-protein-coupled receptors (GPCR) are a family of membrane-embedded metabotropic receptors which translate extracellular ligand binding into an intracellular response. Here, we calculate the motion of several GPCR family members such as the M2 and M3 muscarinic acetylcholine receptors, the A2A adenosine receptor, the β2 -adrenergic receptor, and the CXCR4 chemokine receptor using elastic network normal modes. The normal modes reveal a dilation and a contraction of the GPCR vestibule associated with ligand passage, and activation, respectively. Contraction of the vestibule on the extracellular side is correlated with cavity formation of the G-protein binding pocket on the intracellular side, which initiates intracellular signaling. Interestingly, the normal modes of rhodopsin do not correlate well with the motion of other GPCR family members. Electrostatic potential calculation of the GPCRs reveal a negatively charged field around the ligand binding site acting as a siphon to draw-in positively charged ligands on the membrane surface. Altogether, these results expose the GPCR activation mechanism and show how conformational changes on the cell surface side of the receptor are allosterically translated into structural changes on the inside. Copyright © 2013 Wiley Periodicals, Inc.

  15. Mode selection of modal expansion method estimating vibration field of washing machine

    Science.gov (United States)

    Jung, B. K.; Jeong, W. B.

    2015-03-01

    This paper is about a study estimating the vibration and radiated noise of a washing machine by using a mode selection-applied modal expansion method (MEM). MEM is a technique that identifies the vibration field from a portion of eigenvectors (or mode shapes) of a structure, and thus, the selection of the eigenvectors has a big impact on the vibration results identified. However, there have been few studies about selecting the eigenvectors with respect to the structural vibration and radiated noise estimation. Accordingly, this paper proposes the use of a new mode selection method to identify the vibration based on the MEM and then calculate radiated noise of a washing machine. The results gained from the experiment were also compared. The vibration and noise results of numerical analysis using the proposed selection method are in line with the measured results. The selection method proposed in this paper corresponds well with the MEM and this process seems to be applicable to the estimation of various structure vibrations and radiated noise.

  16. Aerial Ultrasonic Source Using Stripe-Mode Transverse Vibrating Plate with Jutting Driving Point

    Science.gov (United States)

    Miura, Hikaru; Ishikawa, Hitoshi

    2009-07-01

    Ultrasonic sources using a stripe-mode rectangular transverse vibrating plate have been used as acoustic sources emitting intense acoustic waves in air. Because these sources are based on the resonance of transverse vibration, their electric-acoustic conversion rate is as high as 90%, which is a merit. In this study, a vibrating plate with a unique shape was developed to enhance the effectiveness of acoustic sources. It is called a stripe-mode transverse vibrating plate with a jutting driving point. The advantage of this plate shape is that the acoustic source does not interfere with the emission of acoustic waves since the driving point is outside the plate, and there is no need to distinguish between the front and back sides of the vibrating plate. The conditions effective for driving the stripe-mode transverse vibrating plate were clarified. That is, the length of the side parallel to the node lines of the plate is an odd number times the length between the nodes in the stripe mode, and the length of the side perpendicular is at least 6 times but not a multiple of 3 greater than or equal to 15 times, subtracted by 0.5 times, the length between the nodes. Moreover, the length between the driving point and the edge of the plate is a positive integer with a noninteger value of 0.9.

  17. Localization of natural modes of vibration in bladed disks

    Science.gov (United States)

    Bendiksen, O. O.; Valero, N. A.

    1987-01-01

    A study is presented of the mode localization phenomenon in imperfect blade-disk and blade-shroud-disk assemblies. The results indicate that unshrouded blades mounted on stiff disks are especially susceptible, and even small blade imperfections within manufacturing tolerances are likely to trigger mode localization. Increasing the interblade coupling by adding shrouds or reducing the disk stiffness greatly reduces the localization susceptiblity, although certain modes may still become localized if the shrouds are free to slip.

  18. Finite-temperature hydrogen adsorption and desorption thermodynamics driven by soft vibration modes.

    Science.gov (United States)

    Woo, Sung-Jae; Lee, Eui-Sup; Yoon, Mina; Kim, Yong-Hyun

    2013-08-09

    It has been widely accepted that enhanced dihydrogen adsorption is required for room-temperature hydrogen storage on nanostructured porous materials. Here we report, based on results of first-principles total energy and vibrational spectrum calculations, finite-temperature adsorption and desorption thermodynamics of hydrogen molecules that are adsorbed on the metal center of metal-porphyrin-incorporated graphene. We have revealed that the room-temperature hydrogen storage is achievable not only with the enhanced adsorption enthalpy, but also with soft-mode driven vibrational entropy of the adsorbed dihydrogen molecule. The soft vibration modes mostly result from multiple orbital coupling between the hydrogen molecule and the buckled metal center, for example, in Ca-porphyrin-incorporated graphene. Our study suggests that the current design strategy for room-temperature hydrogen storage materials should be modified with explicitly taking the finite-temperature vibration thermodynamics into account.

  19. A study of the eigenvectors of the low-frequency vibrational modes in crystalline adenosine via high pressure Raman spectroscopy.

    Science.gov (United States)

    Lee, Scott A; Pinnick, David A; Anderson, A

    2014-12-01

    High-pressure Raman spectroscopy has been used to study the eigenvectors and eigenvalues of the vibrational modes of crystalline adenosine at 295 K by evaluating the logarithmic derivative of the vibrational frequency with respect to pressure: [Formula: see text]. Crystalline samples of molecular materials such as adenosine will have vibrational modes that are localized within a molecular unit ("internal" modes) as well as modes in which the molecular units vibrate against each other ("external" modes). The value of the logarithmic derivative is found to be a diagnostic probe of the nature of the eigenvector of the vibrational modes. Stretching modes which are predominantly internal to the molecule have low logarithmic derivatives while external modes have higher logarithmic derivatives. Particular interest is paid to the low-frequency (≤150 cm(-1)) modes. Based on the pressure dependence of its logarithmic derivative, a mode near 49 cm(-1) is identified as internal mode. The other modes below 400 cm(-1) have pressure dependences of their logarithmic derivatives consistent with being either (1) modes which are mainly external, meaning that the molecules of the unit cell vibrate against each other in translational or librational motions (or linear combinations thereof), or (2) torsional or bending modes involving a large number of atoms, mainly within a molecule. The modes above 400 cm(-1) all have pressure dependences of their logarithmic derivatives consistent with being mainly internal modes.

  20. Subfemtosecond steering of hydrocarbon deprotonation through superposition of vibrational modes

    Science.gov (United States)

    Alnaser, A. S.; Kübel, M.; Siemering, R.; Bergues, B.; Kling, Nora G.; Betsch, K. J.; Deng, Y.; Schmidt, J.; Alahmed, Z. A.; Azzeer, A. M.; Ullrich, J.; Ben-Itzhak, I.; Moshammer, R.; Kleineberg, U.; Krausz, F.; de Vivie-Riedle, R.; Kling, M. F.

    2014-05-01

    Subfemtosecond control of the breaking and making of chemical bonds in polyatomic molecules is poised to open new pathways for the laser-driven synthesis of chemical products. The break-up of the C-H bond in hydrocarbons is an ubiquitous process during laser-induced dissociation. While the yield of the deprotonation of hydrocarbons has been successfully manipulated in recent studies, full control of the reaction would also require a directional control (that is, which C-H bond is broken). Here, we demonstrate steering of deprotonation from symmetric acetylene molecules on subfemtosecond timescales before the break-up of the molecular dication. On the basis of quantum mechanical calculations, the experimental results are interpreted in terms of a novel subfemtosecond control mechanism involving non-resonant excitation and superposition of vibrational degrees of freedom. This mechanism permits control over the directionality of chemical reactions via vibrational excitation on timescales defined by the subcycle evolution of the laser waveform.

  1. A high pressure study of the eigenvectors of the infra-red active vibrational modes of crystalline adenosine.

    Science.gov (United States)

    Starkey, Carl A; Lee, Scott A; Anderson, Anthony

    2016-01-01

    High-pressure infrared spectroscopy has been used to study the eigenvectors and eigenvalues of the vibrational modes of crystalline adenosine at 298 K by evaluating the logarithmic derivative of the vibrational frequency with respect to pressure: [Formula: see text]. Crystalline samples of molecular materials such as adenosine have vibrational modes that are localized within a molecular unit ("internal" modes) as well as modes in which the molecular units vibrate against each other ("external" modes). The value of the logarithmic derivative is that it is a diagnostic probe of the nature of the eigenvector of these vibrational modes. Stretching modes, which are predominantly internal to the molecule, have low logarithmic derivatives while external modes have higher logarithmic derivatives. Particular attention is paid to modes in the 800-1000 cm(-1) range since modes in that region of the vibrational spectrum are found to be sensitive to the conformation of double-helical DNA. Since the sugar pucker is different for the various conformations of DNA, this fact suggests that these modes involve the motion of atoms in the sugar group. The vibrations of the hydrogen atoms are also of interest to study since the vibrational frequency of hydrogen atoms involved in hydrogen bonds has a negative pressure derivative. Such behavior clearly shows which hydrogen atoms are involved in hydrogen bonding.

  2. Electron-Beam Mapping of Vibrational Modes with Nanometer Spatial Resolution.

    Science.gov (United States)

    Dwyer, C; Aoki, T; Rez, P; Chang, S L Y; Lovejoy, T C; Krivanek, O L

    2016-12-16

    We demonstrate that a focused beam of high-energy electrons can be used to map the vibrational modes of a material with a spatial resolution of the order of one nanometer. Our demonstration is performed on boron nitride, a polar dielectric which gives rise to both localized and delocalized electron-vibrational scattering, either of which can be selected in our off-axial experimental geometry. Our experimental results are well supported by our calculations, and should reconcile current controversy regarding the spatial resolution achievable in vibrational mapping with focused electron beams.

  3. Efficient vibration mode analysis of aircraft with multiple external store configurations

    Science.gov (United States)

    Karpel, M.

    1988-01-01

    A coupling method for efficient vibration mode analysis of aircraft with multiple external store configurations is presented. A set of low-frequency vibration modes, including rigid-body modes, represent the aircraft. Each external store is represented by its vibration modes with clamped boundary conditions, and by its rigid-body inertial properties. The aircraft modes are obtained from a finite-element model loaded by dummy rigid external stores with fictitious masses. The coupling procedure unloads the dummy stores and loads the actual stores instead. The analytical development is presented, the effects of the fictitious mass magnitudes are discussed, and a numerical example is given for a combat aircraft with external wing stores. Comparison with vibration modes obtained by a direct (full-size) eigensolution shows very accurate coupling results. Once the aircraft and stores data bases are constructed, the computer time for analyzing any external store configuration is two to three orders of magnitude less than that of a direct solution.

  4. Vibration Method for Tracking the Resonant Mode and Impedance of a Microwave Cavity

    Science.gov (United States)

    Barmatz, M.; Iny, O.; Yiin, T.; Khan, I.

    1995-01-01

    A vibration technique his been developed to continuously maintain mode resonance and impedance much between a constant frequency magnetron source and resonant cavity. This method uses a vibrating metal rod to modulate the volume of the cavity in a manner equivalent to modulating an adjustable plunger. A similar vibrating metal rod attached to a stub tuner modulates the waveguide volume between the source and cavity. A phase sensitive detection scheme determines the optimum position of the adjustable plunger and stub turner during processing. The improved power transfer during the heating of a 99.8% pure alumina rod was demonstrated using this new technique. Temperature-time and reflected power-time heating curves are presented for the cases of no tracking, impedance tracker only, mode tracker only and simultaneous impedance and mode tracking. Controlled internal melting of an alumina rod near 2000 C using both tracking units was also demonstrated.

  5. Electronic Properties of Si-Hx Vibrational Modes at Si Waveguide Interface.

    Science.gov (United States)

    Bashouti, Muhammad Y; Yousefi, Peyman; Ristein, Jürgen; Christiansen, Silke H

    2015-10-01

    Attenuated total reflectance (ATR) and X-ray photoelectron spectroscopy in suite with Kelvin probe were conjugated to explore the electronic properties of Si-Hx vibrational modes by developing Si waveguide with large dynamic detection range compared with conventional IR. The Si 2p emission and work-function related to the formation and elimination of Si-Hx bonds at Si surfaces are monitored based on the detection of vibrational mode frequencies. A transition between various Si-Hx bonds and thus related vibrational modes is monitored for which effective momentum transfer could be demonstrated. The combination of the aforementioned methods provides for results that permit a model for the kinetics of hydrogen termination of Si surfaces with time and advanced surface characterizing of hybrid-terminated semiconducting solids.

  6. 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.

  7. 2-Chloro- and 2-bromo-3-pyridinecarboxaldehydes: structures, rotamers, fermi resonance and vibration modes.

    Science.gov (United States)

    Yenagi, Jayashree; Shettar, Anita; Tonannavar, J

    2011-09-01

    FT-Infrared (4000-400 cm(-1)) and NIR-FT-Raman (4000-50 cm(-1)) spectral measurements have been made for 2-chloro- and 2-bromo-3-pyridinecarboxaldehydes. A DFT vibration analysis at B3LYP/6-311++G (d,p) level, valence force-fields and vibrational mode calculations have been performed. Aided by very good agreement between observed and computed vibration spectra, a complete assignment of fundamental vibration modes to the observed absorptions and Raman bands has been proposed. Orientations of the aldehydic group have produced two oblate asymmetric rotamers for each molecule, ON-trans and ON-cis: the ON-trans rotamer being more stable than cis by 3.42 kcal mol(-1) for 2-chloro-3-pyridinecarboxaldehyde and 3.68 kcal mol(-1) for 2-bromo-3-pyridinecarboxaldehyde. High potential energy barrier ca 14 kcal/mol, induced by steric hindrance, restricts rotamers' population to ON-trans only. It is observed that, in the presence of bromine, C-H stretching modes are pronounced; a missing characteristic ring mode in chlorine's presence shows at 1557 cm(-1); the characteristic ring mode at 1051 cm(-1) is diminished; a mixed mode near 707 cm(-1) is enhanced. Further, an observed doublet near 1696-1666 cm(-1) in both IR and Raman spectra is explained on the basis of Fermi resonance between aldehydic carbonyl stretching at 1696 cm(-1) and a combination mode of ring stretch near 1059 cm(-1) and deformation vibration, 625 cm(-1). A strong Raman aldehydic torsional mode at 62 cm(-1) is interpreted to correspond to the dominant ON-trans over cis rotamers population. Copyright © 2011 Elsevier B.V. All rights reserved.

  8. Vibrational relaxation pathways of AI and AII modes in N-methylacetamide clusters.

    Science.gov (United States)

    Piatkowski, L; Bakker, H J

    2010-11-04

    We studied the pathways of vibrational energy relaxation of the amide I (~1660 cm⁻¹) and amide II (~1560 cm⁻¹) vibrational modes of N-methylacetamide (NMA) in CCl₄ solution using two-color femtosecond vibrational spectroscopy. We measured the transient spectral dynamics upon excitation of each of these amide modes. The results show that there is no energy transfer between the amide I (AI) and amide II (AII) modes. Instead we find that the vibrational energy is transferred on a picosecond time scale to a common combination tone of lower-frequency modes. By use of polarization-resolved femtosecond pump-probe measurements we also study the reorientation dynamics of the NMA molecules and the relative angle between the transition dipole moments of the AI and AII vibrations. The spectral dynamics at later times after the excitation (>40 ps) reveal the presence of a dissociation process of the NMA aggregates, trimers, and higher order structures into dimers and monomers. By measuring the dissociation kinetics at different temperatures, we determined the activation energy of this dissociation E(a) = 35 ± 3 kJ mol⁻¹.

  9. 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.

  10. Study of surface modes on a vibrating electrowetting liquid lens

    Science.gov (United States)

    Strauch, Matthias; Shao, Yifeng; Bociort, Florian; Urbach, H. Paul

    2017-10-01

    The increased usage of liquid lenses motivates us to investigate surface waves on the liquid's surface. During fast focal switching, the surface waves decrease the imaging quality. We propose a model that describes the surface modes appearing on a liquid lens and predicts the resonance frequencies. The effects of those surface modes on a laser beam are simulated using Fresnel propagation, and the model is verified experimentally.

  11. Bayesian normal modes identification and estimation of elastic coefficients in resonant ultrasound spectroscopy

    Science.gov (United States)

    Bernard, Simon; Marrelec, Guillaume; Laugier, Pascal; Grimal, Quentin

    2015-06-01

    Resonant ultrasound spectroscopy is an experimental technique for measuring the stiffness of anisotropic solid materials. The free vibration resonant frequencies of a specimen are measured and the stiffness coefficients of the material adjusted to minimize the difference between experimental and predicted frequencies. An issue of this inverse approach is that the measured frequencies are not easily paired with their predicted counterpart, leading to ambiguities in the definition of the objective function. In the past, this issue has been overcome through trial-and-error methods requiring the experimentalist to find the correct pairing, or through involved experimental methods measuring the shapes of the normal vibration modes in addition to their frequencies. The purpose of this work is to show, through a Bayesian formulation, that the inverse problem can be solved automatically and without requiring additions to the usual experimental setup. The pairing of measured and predicted frequencies is considered unknown, and the joint posterior probability distribution of pairing and stiffness is sampled using Markov chain Monte Carlo. The method is illustrated on two published data sets. The first set includes the exact pairing, allowing validation of the method. The second application deals with attenuative materials, for which many predicted modes cannot be observed, further complicating the inverse problem. In that case, introduction of prior information through Bayesian formulation reduces ambiguities.

  12. Synthesis of stiffness and mass matrices from experimental vibration modes.

    Science.gov (United States)

    Ross, R. G., Jr.

    1971-01-01

    With highly complex structures, it is sometimes desirable to derive a dynamic model of the system from experimental vibration data. This paper presents algorithms for synthesizing the mass and stiffness matrices from experimentally derived modal data in a way which preserves the physical significance of the individual mass and stiffness elements. The synthesizing procedures allow for the incorporation of other mass and stiffness data, whether empirical or based on the analyst's insight. The mass and stiffness matrices are derived for a cantilever beam example and are compared with those obtained using earlier techniques.

  13. An Electromagnetic MEMS Energy Harvester Array with Multiple Vibration Modes

    Directory of Open Access Journals (Sweden)

    Huicong Liu

    2015-07-01

    Full Text Available This paper reports the design, micromachining and characterization of an array of electromagnetic energy harvesters (EHs with multiple frequency peaks. The authors present the combination of three multi-modal spring-mass structures so as to realize at least nine resonant peaks within a single microelectromechanical systems (MEMS chip. It is assembled with permanent magnet to show an electromagnetic-based energy harvesting capability. This is the first demonstration of multi-frequency MEMS EH existing with more than three resonant peaks within a limited frequency range of 189 to 662 Hz. It provides a more effective approach to harvest energy from the vibration sources of multiple frequency peaks.

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

    DEFF Research Database (Denmark)

    Zoccante, Alberto; Seidler, Peter; Christiansen, Ove

    2011-01-01

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

  15. A study of the eigenvectors of the vibrational modes in crystalline cytidine via high-pressure Raman spectroscopy.

    Science.gov (United States)

    Lee, Scott A; Pinnick, David A; Anderson, A

    2015-01-01

    Raman spectroscopy has been used to study the eigenvectors and eigenvalues of the vibrational modes of crystalline cytidine at 295 K and high pressures by evaluating the logarithmic derivative of the vibrational frequency ω with respect to pressure P: [Formula: see text]. Crystalline samples of molecular materials have strong intramolecular bonds and weak intermolecular bonds. This hierarchy of bonding strengths causes the vibrational optical modes localized within a molecular unit ("internal" modes) to be relatively high in frequency while the modes in which the molecular units vibrate against each other ("external" modes) have relatively low frequencies. The value of the logarithmic derivative is a useful diagnostic probe of the nature of the eigenvector of the vibrational modes because stretching modes (which are predominantly internal to the molecule) have low logarithmic derivatives while external modes have higher logarithmic derivatives. In crystalline cytidine, the modes at 85.8, 101.4, and 110.6 cm(-1) are external in which the molecules of the unit cell vibrate against each other in either translational or librational motions (or some linear combination thereof). All of the modes above 320 cm(-1) are predominantly internal stretching modes. The remaining modes below 320 cm(-1) include external modes and internal modes, mostly involving either torsional or bending motions of groups of atoms within a molecule.

  16. Collisional relaxation of the three vibrationally excited difluorobenzene isomers by collisions with CO2: effect of donor vibrational mode.

    Science.gov (United States)

    Mitchell, Deborah G; Johnson, Alan M; Johnson, Jeremy A; Judd, Kortney A; Kim, Kilyoung; Mayhew, Maurine; Powell, Amber L; Sevy, Eric T

    2008-02-14

    Relaxation of highly vibrationally excited 1,2-, 1,3-, and 1,4-difluorobenzne (DFB) by collisions with carbon dioxide has been investigated using diode laser transient absorption spectroscopy. Vibrationally hot DFB (E' approximately 41,000 cm(-1)) was prepared by 248 nm excimer laser excitation followed by rapid radiationless relaxation to the ground electronic state. Collisions between hot DFB isomers and CO2 result in large amounts of rotational and translational energy transfer from the hot donors to the bath. The CO2 nascent rotational population distribution of the high-J (J = 58-80) tail of the 00(0)0 state was probed at short times following the excimer laser pulse to measure rate constants and probabilities for collisions populating these states. The amount of translational energy gained by CO2 during collisions was determined using Doppler spectroscopy to measure the width of the absorption line for each transition. The energy transfer probability distribution function, P(E,E'), for the large DeltaE tail was obtained by resorting the state-indexed energy transfer probabilities as a function of DeltaE. P(E,E') was fit to a biexponential function to determine the average energy transferred in a single DFB/CO2 collision and fit parameters describing the shape of P(E,E'). P(E,E') fit parameters for DFB/CO2 and the previously studied C6F6/CO2 system are compared to various donor molecular properties. A model based on Fermi's Golden Rule indicates that the shape of P(E,E') is primarily determined by the low-frequency out-of-plane donor vibrational modes. A fractional mode population analysis is performed, which suggests that for energy transfer from DFB and C6F6 to CO2 the two key donor vibrational modes from which energy leaks out of the donor into the bath are nu11 and nu16. These "gateway" modes are some of the same modes determined to be the most efficient energy transfer modes by quantum scattering studies of benzene/He collisions.

  17. Linking crystal structure with temperature-sensitive vibrational modes in calcium carbonate minerals.

    Science.gov (United States)

    Xu, Ben; Poduska, Kristin M

    2014-09-07

    We demonstrate a correlation between how an IR-active vibrational mode responds to temperature changes and how it responds to crystallinity differences. Infrared (IR) spectroscopy was used to track changes in carbonate-related vibrational modes in three different CaCO3 polymorphs (calcite, aragonite, and vaterite) and CaMg(CO3)2 (dolomite) during heating. Of the three characteristic IR-active carbonate modes, the in-plane bending mode (ν4) shows the most pronounced changes with heating in polymorphs that have planar carbonate arrangements (calcite, aragonite, and dolomite). In contrast, this mode is virtually unchanged in vaterite, which has a canted arrangement of carbonate units. We correlate these trends with recent studies that identified the ν4 mode as most susceptible to changes related to crystallinity differences in calcite and amorphous calcium carbonate. Thus, our results suggest that studies of packing arrangements could provide a generalizable approach to identify the most diagnostic vibrational modes for tracking either temperature-dependent or crystallinity-related effects in IR-active solids.

  18. 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.

  19. Study of surface modes on a vibrating electrowetting liquid lens

    NARCIS (Netherlands)

    Strauch, M.; Shao, Y.; Bociort, F.; Urbach, Paul

    2017-01-01

    The increased usage of liquid lenses motivates us to investigate surface waves on the liquid's surface. During fast focal switching, the surface waves decrease the imaging quality. We propose a model that describes the surface modes appearing on a liquid lens and predicts the resonance

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

    Science.gov (United States)

    Gordiz, Kiarash; Henry, Asegun

    2016-03-16

    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.

  1. Vibrational relaxation of the bending mode of HDO in liquid D2O.

    Science.gov (United States)

    Bodis, Pavol; Larsen, Olaf F A; Woutersen, Sander

    2005-06-23

    The vibrational relaxation of the bending mode of HDO in liquid D2O has been studied using time-resolved mid-infrared pump-probe spectroscopy. At short delays, the transient spectrum clearly shows the v = 1 --> 2 induced absorption and v = 1 --> 0 bleaching and stimulated emission, whereas at long delays, the transient spectrum is dominated by the spectral changes caused by the temperature increase in the sample after vibrational relaxation. From the decay of the v = 1 --> 2 induced absorption, we obtain an estimate of 390 +/- 50 fs for the vibrational lifetime, in surprisingly good agreement with recent theoretical predictions. In the v = 0 --> 1 frequency region, the decay of the absorption change involves a second, slower component, which suggests that after vibrational relaxation the system is not yet in thermal equilibrium.

  2. Vibrational resonance induced by transition of phase-locking modes in excitable systems.

    Science.gov (United States)

    Yang, Lijian; Liu, Wangheng; Yi, Ming; Wang, Canjun; Zhu, Qiaomu; Zhan, Xuan; Jia, Ya

    2012-07-01

    We study the occurrence of vibrational resonance as well as the underlying mechanism in excitable systems. The single vibration resonance and vibration bi-resonance are observed when tuning the amplitude and frequency of high-frequency force simultaneously. Furthermore, by virtue of the phase diagram of low-frequency-signal-free FitzHugh-Nagumo model, it is found that each maxima of response measure is located exactly at the transition boundary of phase patterns. Therefore, it is the transition between different phase-locking modes that induces vibrational resonance in the excitable systems. Finally, this mechanism is verified in the Hodgkin-Huxley neural model. Our results provide insights into the transmission of weak signals in nonlinear systems, which are valuable in engineering for potential applications.

  3. Pulsed differential holographic measurements of vibration modes of high temperature panels

    Science.gov (United States)

    Evensen, D. A.; Aprahamian, R.; Overoye, K. R.

    1972-01-01

    Holography is a lensless imaging technique which can be applied to measure static or dynamic displacements of structures. Conventional holography cannot be readily applied to measure vibration modes of high-temperature structures, due to difficulties caused by thermal convection currents. The present report discusses the use of pulsed differential holography, which is a technique for recording structural motions in the presence of random fluctuations such as turbulence. An analysis of the differential method is presented, and demonstration experiments were conducted using heated stainless steel plates. Vibration modes were successfully recorded for the heated plates at temperatures of 1000, 1600, and 2000 F. The technique appears promising for such future measurments as vibrations of the space shuttle TPS panels or recording flutter of aeroelastic models in a wind-tunnel.

  4. Casing Vibration Fault Diagnosis Based on Variational Mode Decomposition, Local Linear Embedding, and Support Vector Machine

    Directory of Open Access Journals (Sweden)

    Yizhou Yang

    2017-01-01

    Full Text Available To diagnose mechanical faults of rotor-bearing-casing system by analyzing its casing vibration signal, this paper proposes a training procedure of a fault classifier based on variational mode decomposition (VMD, local linear embedding (LLE, and support vector machine (SVM. VMD is used first to decompose the casing signal into several modes, which are subsignals usually modulated by fault frequencies. Vibrational features are extracted from both VMD subsignals and the original one. LLE is employed here to reduce the dimensionality of these extracted features and make the samples more separable. Then low-dimensional data sets are used to train the multiclass SVM whose accuracy is tested by classifying the test samples. When the parameters of LLE and SVM are well optimized, this proposed method performs well on experimental data, showing its capacity of diagnosing casing vibration faults.

  5. 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.

  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. Normalization of vibration signals generated under highly varying speed and load with application to signal separation

    Science.gov (United States)

    Urbanek, Jacek; Barszcz, Tomasz; Strączkiewicz, Marcin; Jablonski, Adam

    2017-01-01

    The paper presents a normalization dedicated to transform non-stationary vibration signals into signals characterized by purely stationary properties. For this purpose, a novel class of generalized periodic signals is defined followed by a proposition of a normalization technique, which takes advantage of available, instantaneous values of operational parameters. Within the paper, a well-known discrete-random separation (DRS) technique is recalled as an exemplary technique, which has been restricted to stationary signals so far. The authors present a step-by-step adoption of the DRS to non-stationary signals. The method is applied to simulated signal, test rig signal, and a vibration signal from industrial object. Additionally, for the purpose of synthesis of simulated signal, a new model of multi-component vibrations generated under varying regime is proposed. The presented method aims to expand existing solutions dealing with varying frequency to a more general solution dealing with independent, simultaneous varying frequency and amplitude of signal components.

  8. 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.

  9. Coherent reverberation model based on adiabatic normal mode theory in a range dependent shallow water environment

    Science.gov (United States)

    Li, Zhenglin; Zhang, Renhe; Li, Fenghua

    2010-09-01

    Ocean reverberation in shallow water is often the predominant background interference in active sonar applications. It is still an open problem in underwater acoustics. In recent years, an oscillation phenomenon of the reverberation intensity, due to the interference of the normal modes, has been observed in many experiments. A coherent reverberation theory has been developed and used to explain this oscillation phenomenon [F. Li et al., Journal of Sound and Vibration, 252(3), 457-468, 2002]. However, the published coherent reverberation theory is for the range independent environment. Following the derivations by F. Li and Ellis [D. D. Ellis, J. Acoust. Soc. Am., 97(5), 2804-2814, 1995], a general reverberation model based on the adiabatic normal mode theory in a range dependent shallow water environment is presented. From this theory the coherent or incoherent reverberation field caused by sediment inhomogeneity and surface roughness can be predicted. Observations of reverberation from the 2001 Asian Sea International Acoustic Experiment (ASIAEX) in the East China Sea are used to test the model. Model/data comparison shows that the coherent reverberation model can predict the experimental oscillation phenomenon of reverberation intensity and the vertical correlation of reverberation very well.

  10. Nonlinear clapping modulation of lamb modes by normally closed delamination.

    Science.gov (United States)

    Shkerdin, Gennady; Glorieux, Christ

    2010-06-01

    The nonlinear interaction between a high-frequency probing Lamb mode, propagating through a bilayer containing an initially closed tangential delamination at the interlayer interface whose contact conditions are dynamically changing because of a high-amplitude Lamb pump wave with long wavelength, is modeled in a quasi-stationary approach. The proposed criterion for the delamination to open is based on the magnitude, with respect to a threshold value, of the pump-wave-induced normal stress components that are pulling on both sides of the interface during part of its cycle. The temporal evolution of the contact condition during the pump wave cycle is calculated and the spectral enrichment caused by cross-modulation spectral components between the probing wave and the modulating wave is predicted. The impact of the cross-modulation on the normal displacement at the externally accessible surfaces is investigated for two different types of incident probing wave in an absorbing bilayer structure, and for different variations of the contact quality modulation. The results can serve as a parametric guide for experimenters considering the use of nonlinear harmonic generation of Lamb waves as a tool for nondestructive testing of bilayers such as rubber-steel composite walls that are typically used in storage tanks and pipelines for corrosive liquids.

  11. Modes of vibration in a circular plate with three simple support points.

    Science.gov (United States)

    Chi, C.

    1972-01-01

    The analytical solutions for the vibrational modes of a thin circular flat plate that is simply supported at three points on the circumference are presented. The mode shapes and corresponding eigenvalues are obtained. Results show that the modes can be grouped into four different types depending on the manner by which they receive the pressure at the supported points. The problem is of the mixed boundary value type in that some portion of the boundary is free while the other portion is simply supported.

  12. Energy trapping of thickness-shear vibration modes of elastic plates with functionally graded materials.

    Science.gov (United States)

    Wang, Ji; Yang, Jiashi; Li, Jiangyu

    2007-03-01

    Energy trapping has important applications in the design of thickness-shear resonators. Considerable efforts have been made for the effective utilization and improvement of energy trapping with variations of plate configurations, such as adding electrodes and contouring. As a new approach in seeking improved energy trapping feature, we analyze thickness-shear vibrations in an elastic plate with functionally graded material (FGM) of in-plane variation of mechanical properties, such as elastic constants and density. A simple and general equation governing the thickness-shear modes is derived from a variational analysis. A plate with piecewise constant material properties is analyzed as an example. It is shown that such a plate can support thickness-shear vibration modes with obvious energy trapping. Bechmann's number for the existence of only one trapped mode also can be determined accordingly.

  13. Imaging the surface stress and vibration modes of a microcantilever by laser beam deflection microscopy.

    Science.gov (United States)

    Tamayo, Javier; Pini, Valerio; Kosaka, Prisicila; Martinez, Nicolas F; Ahumada, Oscar; Calleja, Montserrat

    2012-08-10

    There is a need for noninvasive techniques for simultaneous imaging of the stress and vibration mode shapes of nanomechanical systems in the fields of scanning probe microscopy, nanomechanical biological and chemical sensors and the semiconductor industry. Here we show a novel technique that combines a scanning laser, the beam deflection method and digital multifrequency excitation and analysis for simultaneous imaging of the static out-of-plane displacement and the shape of five vibration modes of nanomechanical systems. The out-of-plane resolution is at least 100 pm Hz⁻¹/² and the lateral resolution, which is determined by the laser spot size, is 1-1.5 μm. The capability of the technique is demonstrated by imaging the residual surface stress of a microcantilever together with the shape of the first 22 vibration modes. The vibration behavior is compared with rigorous finite element simulations. The technique is suitable for major improvements in the imaging of liquids, such as higher bandwidth and enhanced spatial resolution.

  14. 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 .

  15. Based On Intrinsic Mode Function Energy Tracking Method of Circuit Breaker Vibration Signal Feature Extraction Studies

    Directory of Open Access Journals (Sweden)

    Sun Yi-Hang

    2017-01-01

    Full Text Available In order to detect a mechanical type of structural failure of the circuit breaker, the characteristics of the circuit breaker mechanical vibration signal is analyzed in this paper. A combination of medium voltage circuit breaker based on empirical mode decomposition (EMD amount of energy and support vector machine (SVM theory vibration signal feature vector extraction and analysis of fault classification method is proposed. First, the vibration signal of the circuit breaker is decomposed by EMD, then intrinsic mode function (IMF is obtain. The major fault feature information intrinsic mode functions the amount of energy of the component is obtained by discrete sampling points and the amount of energy. Using the amount of energy of IMF component as a feature vector, the failure of the test sample signal as input feature vector into trained “BT-SVM” support vector machine classification mechanism for fault classification. The differences and fault type of vibration signals can be identified by this method through the experimental analysis.

  16. Component mode synthesis and large deflection vibrations of complex structures. [beams and trusses

    Science.gov (United States)

    Mei, C.

    1984-01-01

    The accuracy of the NASTRAN modal synthesis analysis was assessed by comparing it with full structure NASTRAN and nine other modal synthesis results using a nine-bay truss. A NASTRAN component mode transient response analysis was also performed on the free-free truss structure. A finite element method was developed for nonlinear vibration of beam structures subjected to harmonic excitation. Longitudinal deformation and inertia are both included in the formula. Tables show the finite element free vibration results with and without considering the effects of longitudinal deformation and inertia as well as the frequency ratios for a simply supported and a clamped beam subjected to a uniform harmonic force.

  17. 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.

  18. Vibrational spectra and normal coordinate analysis of plant growth regulator 1-naphthalene acetamide

    Science.gov (United States)

    Ravikumar, C.; Padmaja, L.; Hubert Joe, I.

    2010-02-01

    FT Raman and IR spectra of the biologically active molecule, 1-naphthalene acetamide (NA) have been recorded and analyzed. The equilibrium geometry, bonding features and harmonic vibrational wavenumbers of NA have been calculated with the help of B3LYP density functional theory (DFT) method. The assignments of the vibrational spectra have been carried out with the help of normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMFF). The downshifting of NH 2 stretching wavenumber indicates the formation of intermolecular N-H⋯O hydrogen bonding. The NBO analysis confirms the occurrence of strong intermolecular hydrogen bonding in the molecule.

  19. Space structure vibration modes: How many exist? Which ones are important?

    Science.gov (United States)

    Hughes, P. C.

    1984-01-01

    This report attempts to shed some light on the two issues raised in the title, namely, how many vibration modes does a real structure have, and which of these modes are important? The surprise-free answers to these two questions are, respectively, an infinite number and the first several modes. The author argues that the absurd subspace (all but the first billion modes) is not a strength of continuum modeling, but, in fact, a weakness. Partial differential equations are not real structures, only mathematical models. This note also explains (1) that the PDE model and the finite element model are, in fact, the same model, the latter being a numerical method for dealing with the former, (2) that modes may be selected on dynamical grounds other than frequency alone, and (3) that long slender rods are useful as primitive cases but dangerous to extrapolate from.

  20. Effects of various modes of mechanical ventilation in normal rats.

    Science.gov (United States)

    Pecchiari, Matteo; Monaco, Ario; Koutsoukou, Antonia; Della Valle, Patrizia; Gentile, Guendalina; D'Angelo, Edgardo

    2014-04-01

    Recent studies in healthy mice and rats have reported that positive pressure ventilation delivered with physiological tidal volumes at normal end-expiratory volume worsens lung mechanics and induces cytokine release, thus suggesting that detrimental effects are due to positive pressure ventilation per se. The aim of this study in healthy animals is to assess whether these adverse outcomes depend on the mode of mechanical ventilation. Rats were subjected to 4 h of spontaneous, positive pressure, and whole-body or thorax-only negative pressure ventilation (N = 8 per group). In all instances the ventilatory pattern was that of spontaneous breathing. Lung mechanics, cytokines concentration in serum and broncho-alveolar lavage fluid, lung wet-to-dry ratio, and histology were assessed. Values from eight animals euthanized shortly after anesthesia served as control. No evidence of mechanical ventilation-dependent lung injury was found in terms of lung mechanics, histology, or wet-to-dry ratio. Relative to control, cytokine levels and recruitment of polymorphonuclear leucocytes increased slightly, and to the same extent with spontaneous, positive pressure, and whole-body negative pressure ventilation. Thorax-only negative pressure ventilation caused marked chest and lung distortion, reversible increase of lung elastance, and higher polymorphonuclear leucocyte count and cytokine levels. Both positive and negative pressure ventilation performed with tidal volumes and timing of spontaneous, quiet breathing neither elicit an inflammatory response nor cause morpho-functional alterations in normal animals, thus supporting the notion of the presence of a critical volume threshold above which acute lung injury ensues. Distortion of lung parenchyma can induce an inflammatory response, even in the absence of volotrauma.

  1. Using input command pre-shaping to suppress multiple mode vibration

    Science.gov (United States)

    Hyde, James M.; Seering, Warren P.

    1990-01-01

    Spacecraft, space-borne robotic systems, and manufacturing equipment often utilize lightweight materials and configurations that give rise to vibration problems. Prior research has led to the development of input command pre-shapers that can significantly reduce residual vibration. These shapers exhibit marked insensitivity to errors in natural frequency estimates and can be combined to minimize vibration at more than one frequency. This paper presents a method for the development of multiple mode input shapers which are simpler to implement than previous designs and produce smaller system response delays. The new technique involves the solution of a group of simultaneous non-linear impulse constraint equations. The resulting shapers were tested on a model of MACE, an MIT/NASA experimental flexible structure.

  2. Unified gas-kinetic scheme for diatomic molecular flow with translational, rotational, and vibrational modes

    Science.gov (United States)

    Wang, Zhao; Yan, Hong; Li, Qibing; Xu, Kun

    2017-12-01

    The unified gas-kinetic scheme (UGKS) is a direct modeling method for both continuum and rarefied flow computations. In the previous study, the UGKS was developed for diatomic molecular simulations with translation and rotational motions. In this paper, a UGKS with non-equilibrium translational, rotational, and vibrational degrees of freedom, will be developed. The new scheme is based on the phenomenological gas dynamics model, where the translational, rotational, and vibrational modes get to the equilibrium with different time scales with the introduction of rotational and vibrational collision numbers. This new scheme is tested in a few cases, such as the homogeneous flow relaxation, shock structure, shock tube problem, and flow passing through a circular and semi-circular cylinders. The analytical and DSMC solutions are used for the validation of the UGKS, and reasonable agreements have been achieved.

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

    Science.gov (United States)

    Clark, Stephen Thomas

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

  4. On the intermolecular vibrational modes of the guanine⋯cytosine, adenine⋯thymine and formamide⋯formamide H-bonded dimers

    Science.gov (United States)

    Florián, Jan; Leszczynski, Jerzy; Johnson, Benny G.

    1995-04-01

    Harmonic force fields, frequencies, and IR and Raman intensities of the intermolecular vibrational modes in the cyclic formamide dimer and the guanine-cytosine and adenine-thymine DNA base pairs were calculated using several ab initio methods, including Hartree-Fock, MP2 and gradient-corrected density functional theory (DFT), with various basis sets. A polar environment was modeled using the polarizable continuum model (SCRF). The effect of electron correlation upon calculated Raman intensities was investigated using DFT. The normal coordinate analysis was carried out in internal coordinates observing C 2h symmetry of the formamide dimer. These coordinates were also generalized for the DNA base pairs, allowing force constants, frequencies and intensities of the characteristic intermolecular vibrational modes to be compared among the H-bonded complexes studied. In addition, coordinates defined in this way are directly related to standard DNA interbase structural parameters as pseudodyad, tilt and propeller twist angles. Extensive coupling of the intramolecular wagging vibrations of the amino groups participating in H-bonding with the tilt and propeller twist vibrations was obtained for the lowest frequency normal modes.

  5. Approach to calculate normal modes by decomposing the dyadic Green's function.

    Science.gov (United States)

    Yu, Wenhai; Yue, Wencheng; Yao, Peijun; Lu, Yonghua; Liu, Wen

    2014-11-03

    Normal mode is a very fundamental notion in quantum and classical optics. In this paper, we present a method to calculate normal modes by decomposing dyadic Green's function, where the modes are excited by dipoles. The modes obtained by our method can be directly normalized and their degeneracies can be easily removed. This method can be applied to many theoretical descriptions of cavity electrodynamics and is of interest to nanophotonics.

  6. Shear-horizontal vibration modes of an oblate elliptical cylinder and energy trapping in contoured acoustic wave resonators.

    Science.gov (United States)

    He, Huijing; Yang, Jiashi; Kosinski, John A

    2012-08-01

    We study shear-horizontal free vibrations of an elastic cylinder with an oblate elliptical cross section and a traction-free surface. Exact vibration modes and frequencies are obtained. The results show the existence of thickness-shear and thickness-twist modes. The energy-trapping behavior of these modes is examined. Trapped modes are found wherein the vibration energy is largely confined to the central portion of the cross section and little vibration energy is found at the edges. It is also shown that face-shear modes are not allowed in such a cylinder. The results are useful for the understanding of the energy trapping phenomenon in contoured acoustic wave resonators.

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

    Science.gov (United States)

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

    2017-12-01

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

  8. 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.

  9. Site-selective detection of vibrational modes of an iron atom in a trinuclear complex

    Energy Technology Data Exchange (ETDEWEB)

    Faus, Isabelle, E-mail: faus@rhrk.uni-kl.de; Rackwitz, Sergej; Wolny, Juliusz A. [University of Kaiserslautern, Department of Physics (Germany); Banerjee, Atanu; Kelm, Harald; Krüger, Hans-Jörg [University of Kaiserslautern, Department of Chemistry (Germany); Schlage, Kai; Wille, Hans-Christian [DESY, PETRA III, P01 (Germany); Schünemann, Volker [University of Kaiserslautern, Department of Physics (Germany)

    2016-12-15

    Nuclear inelastic scattering (NIS) experiments on the trinuclear complex [{sup 57}Fe{L-N_4(CH_2Fc)_2} (CH{sub 3}CN){sub 2}](ClO{sub 4}){sub 2} have been performed. The octahedral iron ion in the complex was labelled with {sup 57}Fe and thereby exclusively the vibrational modes of this iron ion have been detected with NIS. The analysis of nuclear forward scattering (NFS) data yields a ferrous low-spin state for the {sup 57}Fe labelled iron ion. The simulation of the partial density of states (pDOS) for the octahedral low-spin iron(II) ion of the complex by density functional theory (DFT) calculations is in excellent agreement with the experimental pDOS of the complex determined from the NIS data obtained at 80 K. Thereby it was possible to assign almost each of the experimentally observed NIS bands to the corresponding molecular vibrational modes.

  10. Multiple mode analysis of the self-excited vibrations of rotary drilling systems

    Science.gov (United States)

    Germay, Christophe; Denoël, Vincent; Detournay, Emmanuel

    2009-08-01

    This paper extends the analysis of the self-excitated vibrations of a drilling structure presented in an earlier paper [T. Richard, C. Germay, E. Detournay, A simplified model to explore the root cause of stick-slip vibrations in drilling systems with drag bits, Journal of Sound and Vibration 305 (3) (2007) 432-456] by basing the formulation of the model on a continuum representation of the drillstring rather than on a characterization of the drilling structure by a 2 degree of freedom system. The particular boundary conditions at the bit-rock interface, which according to this model are responsible for the self-excited vibrations, account for both cutting and frictional contact processes. The cutting process combined with the quasi-helical motion of the bit leads to a regenerative effect that introduces a coupling between the axial and torsional modes of vibrations and a state-dependent delay in the governing equations, while the frictional contact process is associated with discontinuities in the boundary conditions when the bit sticks in its axial and angular motion. The dynamic response of the drilling structure is computed using the finite element method. While the general tendencies of the system response predicted by the discrete model are confirmed by this computational model (for example that the occurrence of stick-slip vibrations as well as the risk of bit bouncing are enhanced with an increase of the weight-on-bit or a decrease of the rotational speed), new features in the self-excited response of the drillstring can be detected. In particular, stick-slip vibrations are predicted to occur at natural frequencies of the drillstring different from the fundamental one (as sometimes observed in field operations), depending on the operating parameters.

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

    Science.gov (United States)

    Walsh, Joanne L.

    1987-01-01

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

  12. Radiation impedance and equivalent circuit for piezoelectric ultrasonic composite transducers of vibrational mode-conversion.

    Science.gov (United States)

    Lin, Shuyu

    2012-01-01

    The piezoelectric ultrasonic composite transducer, which can be used in either gas or liquid media, is studied in this paper. The composite transducer is composed of a longitudinal sandwich piezoelectric transducer, a mechanical transformer, and a metal circular plate in flexural vibration. Acoustic radiation is produced by the flexural circular plate, which is excited by the longitudinal sandwich transducer and transformer. Based on the classic flexural theory of plates, the equivalent lumped parameters for a plate in axially symmetric flexural vibration with free boundary conditions are obtained. The radiation impedance of the plate is derived and the relationship between the radiation impedance and the frequency is analyzed. The equivalent circuits for the plate in flexural vibration and the composite transducer are given. The vibrational modes and the harmonic response of the composite piezoelectric transducer are simulated by the numerical method. Based on the theoretical and numerical analysis, two composite piezoelectric ultrasonic transducers are designed and manufactured, their admittance-frequency curves are measured, and the resonance frequency is obtained. The flexural vibrational displacement distribution of the transducer is measured with a laser scanning vibrometer. It is shown that the theoretical results are in good agreement with the measured resonance frequency and the displacement distribution. © 2012 IEEE

  13. Influence of vibration modes on control system stabilization for space shuttle type vehicles

    Science.gov (United States)

    Greiner, H. G.

    1972-01-01

    An investigation was made to determine the feasibility of using conventional autopilot techniques to stabilize the vibration modes at the liftoff flight condition for two space shuttle configurations. One configuration is called the dual flyback vehicle in which both the orbiter and booster vehicles have wings and complete flyback capability. The other configuration is called the solid motor vehicle win which the orbiter only has flyback. The results of the linear stability analyses for each of the vehicles are summarized.

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

    Science.gov (United States)

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

    2016-04-08

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

  15. 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.

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

    Science.gov (United States)

    Zhao, Libo; Hu, Yingjie; Wang, Tongdong; Ding, Jianjun; Liu, Xixiang; Zhao, Yulong; Jiang, Zhuangde

    2016-06-06

    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.

  17. 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.

  18. Multiple-mode nonlinear free and forced vibrations of beams using finite element method

    Science.gov (United States)

    Mei, Chuh; Decha-Umphai, Kamolphan

    1987-01-01

    Multiple-mode nonlinear free and forced vibration of a beam is analyzed by the finite element method. The geometric nonlinearity is investigated. Inplane displacement and inertia (IDI) are also considered in the formulation. Harmonic force matrix is derived and explained. Nonlinear free vibration can be simply treated as a special case of the general forced vibration by setting the harmonic force matrix equal to zero. The effect of the higher modes is more pronouced for the clamped supported beam than the simply supported one. Beams without IDI yield more effect of the higher modes than the one with IDI. The effects of IDI are to reduce nonlinearity. For beams with end supports restrained from axial movement (immovable cases), only the hardening type nonlinearity is observed. However, beams of small slenderness ratio (L/R = 20) with movable end supports, the softening type nonlinearity is found. The concentrated force case yields a more severe response than the uniformly distributed force case. Finite element results are in good agreement with the solution of simple elliptic response, harmonic balance method, and Runge-Kutte method and experiment.

  19. Modeling of 1-3 piezoelectric composites operating in thickness-stretch vibration mode

    Science.gov (United States)

    Yang, Z.; Wang, H.; Zhao, C.; Zeng, D.

    2015-06-01

    For bulk piezoelectric ceramics plates, the fundamental thickness-stretch (TSt) waves are always coupled to the in-plane extension waves and the symmetric thickness-shear waves. The occurrence of these spurious modes in bulk piezoelectric ceramics plates is undesirable as it may interfere with the operation of transducers. 1-3 piezoelectric composites are promising candidates to suppress the spurious modes mentioned above. However, theoretical modelling of multiphase ceramic composite objects is very complex. In this study, a simple analytical TSt vibration model is constructed from three-dimensional equations of linear piezoelectricity. The mechanical damping is considered in the model by introducing a complex elastic constant. The performance of 1-3 piezoelectric composites is analysed and the electrical impedance results from theoretical and experimental analysis are compared. The results show that there is excellent agreement between the experimental electrical impedance and that obtained by the theoretical TSt vibration analysis. This indicates that 1-3 piezoelectric composites can be operated in a nearly pure TSt vibration mode near the fundamental resonance. The analytical model we present is valid for analysing 1-3 piezoelectric composites plates with large aspect ratios quickly and efficiently.

  20. 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.

  1. Experimental and simulation characterisation of flexural vibration modes in unimorph ultrasound transducers.

    Science.gov (United States)

    Eriksson, T J R; Ramadas, S N; Dixon, S M

    2016-02-01

    A unimorph flexural transducer design is proposed and tested with regard to mode shapes and frequencies. The transducers consist of a passive metal cap structure, and a thin piezoelectric disc, rigidly bonded to the inside. Extensive finite element (FE) modelling, and experimental 2D, time-resolved displacement measurements were done to characterise the transducers flexural properties, and to compare them to the analytical solutions of thin vibrating plates. Emphasis was put on characterising the passive layer of the unimorph structure, before bonding the piezoelectric element, to understand how the active element affects the behaviour of the flexing plate. A high power Nd:YAG laser was used to actuate the metal plate (non-contact), and the frequency content of the resulting displacement signal was analysed to identify the flexural modes. The non-axisymmetric modes, which are conventionally disregarded because of their unfavourable acoustic properties, were also taken into account. There was excellent agreement between the experimental results and the FE simulation data. There was good agreement with the analytical edge clamped plate model, but with some notable deviations, which have not previously been identified or commented upon. Specifically, the second axisymmetric mode is split into three separate modes, which is not explained by the traditional theory of vibrating plates. Crown Copyright © 2015. Published by Elsevier B.V. All rights reserved.

  2. Raman spectra of vibrational and librational modes in methane clathrate hydrates using density functional theory

    Science.gov (United States)

    Ramya, K. R.; Pavan Kumar, G. V.; Venkatnathan, Arun

    2012-05-01

    The sI type methane clathrate hydrate lattice is formed during the process of nucleation where methane gas molecules are encapsulated in the form of dodecahedron (512CH4) and tetrakaidecahedron (51262CH4) water cages. The characterization of change in the vibrational modes which occur on the encapsulation of CH4 in these cages plays a key role in understanding the formation of these cages and subsequent growth to form the hydrate lattice. In this present work, we have chosen the density functional theory (DFT) using the dispersion corrected B97-D functional to characterize the Raman frequency vibrational modes of CH4 and surrounding water molecules in these cages. The symmetric and asymmetric C-H stretch in the 512CH4 cage is found to shift to higher frequency due to dispersion interaction of the encapsulated CH4 molecule with the water molecules of the cages. However, the symmetric and asymmetric O-H stretch of water molecules in 512CH4 and 51262CH4 cages are shifted towards lower frequency due to hydrogen bonding, and interactions with the encapsulated CH4 molecules. The CH4 bending modes in the 512CH4 and 51262CH4 cages are blueshifted, though the magnitude of the shifts is lower compared to modes in the high frequency region which suggests bending modes are less affected on encapsulation of CH4. The low frequency librational modes which are collective motion of the water molecules and CH4 in these cages show a broad range of frequencies which suggests that these modes largely contribute to the formation of the hydrate lattice.

  3. A new fuzzy sliding mode controller for vibration control systems using integrated-structure smart dampers

    Science.gov (United States)

    Dzung Nguyen, Sy; Kim, Wanho; Park, Jhinha; Choi, Seung-Bok

    2017-04-01

    Vibration control systems using smart dampers (SmDs) such as magnetorheological and electrorheological dampers (MRD and ERD), which are classified as the integrated structure-SmD control systems (ISSmDCSs), have been actively researched and widely used. This work proposes a new controller for a class of ISSmDCSs in which high accuracy of SmD models as well as increment of control ability to deal with uncertainty and time delay are to be expected. In order to achieve this goal, two formualtion steps are required; a non-parametric SmD model based on an adaptive neuro-fuzzy inference system (ANFIS) and a novel fuzzy sliding mode controller (FSMC) which can weaken the model error of the ISSmDCSs and hence provide enhanced vibration control performances. As for the formulation of the proposed controller, first, an ANFIS controller is desgned to identify SmDs using the improved control algorithm named improved establishing neuro-fuzzy system (establishing neuro-fuzzy system). Second, a new control law for the FSMC is designed via Lyapunov stability analysis. An application to a semi-active MRD vehicle suspension system is then undertaken to illustrate and evaluate the effectiveness of the proposed control method. It is demonstrated through an experimental realization that the FSMC proposed in this work shows superior vibration control performance of the vehicle suspension compared to other surveyed controller which have similar structures to the FSMC, such as fuzzy logic and sliding mode control.

  4. Approximate natural vibration analysis of rectangular plates with openings using assumed mode method

    Directory of Open Access Journals (Sweden)

    Dae Seung Cho

    2013-09-01

    Full Text Available Natural vibration analysis of plates with openings of different shape represents an important issue in naval architecture and ocean engineering applications. In this paper, a procedure for vibration analysis of plates with openings and arbitrary edge constraints is presented. It is based on the assumed mode method, where natural frequencies and modes are determined by solving an eigenvalue problem of a multi-degree-of-freedom system matrix equation derived by using Lagrange's equations of motion. The presented solution represents an extension of a procedure for natural vibration analysis of rectangular plates without openings, which has been recently presented in the literature. The effect of an opening is taken into account in an intuitive way, i.e. by subtracting its energy from the total plate energy without opening. Illustrative numerical examples include dynamic analysis of rectangular plates with rectangular, elliptic, circular as well as oval openings with various plate thicknesses and different combinations of boundary conditions. The results are compared with those obtained by the finite element method (FEM as well as those available in the relevant literature, and very good agreement is achieved.

  5. High-sensitivity monitoring of micromechanical vibration using optical whispering gallery mode resonators

    Energy Technology Data Exchange (ETDEWEB)

    Schliesser, A; Anetsberger, G; Riviere, R; Arcizet, O; Kippenberg, T J [Max-Planck-Institut fuer Quantenoptik, Hans-Kopfermann-Strasse 1, 85748 Garching (Germany)], E-mail: tjk@mpq.mpg.de

    2008-09-15

    The inherent coupling of optical and mechanical modes in high finesse optical microresonators provides a natural, highly sensitive transduction mechanism for micromechanical vibration. Using homodyne and polarization spectroscopy techniques, we achieve shot-noise limited displacement sensitivities of 10{sup -19} m Hz{sup -1/2}. In an unprecedented manner, this enables the detection and study of a variety of mechanical modes, which are identified as radial breathing, flexural and torsional modes using three-dimensional finite element modeling. Furthermore, a broadband equivalent displacement noise is measured and found to agree well with models for thermorefractive noise in silica dielectric cavities. Implications for ground-state cooling, displacement sensing and Kerr squeezing are discussed.

  6. A procedure obtaining stiffnesses and masses of a structure from vibration modes and substructure static test data

    Science.gov (United States)

    Edighoffer, H. H.

    1979-01-01

    A component mode desynthesis procedure is developed for determining the unknown vibration characteristics of a structural component (i.e., a launch vehicle) given the vibration characteristics of a structural system composed of that component combined with a known one (i.e., a payload). At least one component static test has to be performed. These data are used in conjunction with the system measured frequencies and mode shapes to obtain the vibration characteristics of each component. The flight dynamics of an empty launch vehicle can be determined from measurements made on a vehicle/payload combination in conjunction with a static test on the payload.

  7. 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.

  8. 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.

  9. Goos-Hänchen effect for optical vibrational modes in a semiconductor structure

    Science.gov (United States)

    Villegas, Diosdado; Arriaga, J.; de León-Pérez, Fernando; Pérez-Álvarez, R.

    2017-03-01

    We study the tunneling of optical vibrational modes with transverse horizontal polarization that impinge, at a given angle, on a semiconductor heterostructure. We find a large influence of the Goos-Hänchen shift on tunneling times. In particular, a Goos-Hänchen shift larger than the barrier thickness is reported for the first time. The relation between Goos-Hänchen and Hartman effects is also discussed. The identity that equals the dwell time to the sum of transmission and interference times, previously derived for one-dimensional tunneling problems, is extended to the two-dimensional case. Closed-form expressions are developed for the relevant quantities. Instead of using the standard approach, the interference time is computed from the vibrational energy density. The present study could be useful for the design of semiconductor devices.

  10. 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.

  11. Vibration Modes at Terahertz and Infrared Frequencies of Ionic Liquids Consisting of an Imidazolium Cation and a Halogen Anion.

    Science.gov (United States)

    Yamada, Toshiki; Tominari, Yukihiro; Tanaka, Shukichi; Mizuno, Maya; Fukunaga, Kaori

    2014-11-17

    The terahertz and infrared frequency vibration modes of room-temperature ionic liquids with imidazolium cations and halogen anions were extensively investigated. There is an intermolecular vibrational mode between the imidazolium ring of an imidazolium cation, a halogen atomic anion with a large absorption coefficient and a broad bandwidth in the low THz frequency region (13-130 cm(-1)), the intramolecular vibrational modes of the alkyl-chain part of an imidazolium cation with a relatively small absorption coefficient in the mid THz frequency region (130-500 cm(-1)), the intramolecular skeletal vibrational modes of an imidazolium ring affected by the interaction between the imidazolium ring, and a halogen anion with a relatively large absorption coefficient in a high THz frequency region (500-670 cm(-1)). Interesting spectroscopic features on the interaction between imidazolium cations and halogen anions was also obtained from spectroscopic studies at IR frequencies (550-3300 cm(-1)). As far as the frequency of the intermolecular vibrational mode is concerned, we found the significance of the reduced mass in determining the intermolecular vibration frequency.

  12. A disk-pivot structure micro piezoelectric actuator using vibration mode B11.

    Science.gov (United States)

    Chu, Xiangcheng; Ma, Long; Li, Longtu

    2006-12-22

    Micro piezoelectric actuator using vibration mode B(11) (B(mn), where m is the number of nodal circles, n is the nodal diameters) is designed. Different from conventional wobble-type ultrasonic motor using piezoelectric rod or cylinder, piezoelectric disc is used to excite wobble modes and metal cylinder stator is used to amplify the transverse displacement, metal rod rotor is actuated to rotate. The outer diameter of the actuator is 14mm. There are features such as low drive voltage, micromation, and convenient control of wobble state by modifying the structure of stator, etc. Finite element analysis (FEA) of the stator has been made. It is found that the resonant frequency of vibration mode B(11) is 49.03kHz, which is measured at 45.7kHz by the laser vibrometer and impedance analyzer. The rotation speed has been measured, which could be as high as 10,071rpm under an alternating current 100V. Such piezoelectric actuator can be optimized and adjusted to fit practical conditions. It can be applied in the fields of precise instrument, bioengineering and other micro actuator system.

  13. 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.

  14. Constrained dynamics and extraction of normal modes from ab initio molecular dynamics: application to ammonia.

    Science.gov (United States)

    Siddick, M M; Ackland, G J; Morrison, C A

    2006-08-14

    We present a methodology for extracting phonon data from ab initio Born-Oppenheimer molecular dynamics calculations of molecular crystals. Conventional ab initio phonon methods based on perturbations are difficult to apply to lattice modes because the perturbation energy is dominated by intramolecular modes. We use constrained molecular dynamics to eliminate the effect of bond bends and stretches and then show how trajectories can be used to isolate and define in particular, the eigenvalues and eigenvectors of modes irrespective of their symmetry or wave vector. This is done by k-point and frequency filtering and projection onto plane wave states. The method is applied to crystalline ammonia: the constrained molecular dynamics allows a significant speed-up without affecting structural or vibrational modes. All Gamma point lattice modes are isolated: the frequencies are in agreement with previous studies; however, the mode assignments are different.

  15. Normal modes and quality factors of spherical dielectric resonators: I ...

    Indian Academy of Sciences (India)

    Abstract. Electromagnetic theoretic analysis of shielded homogeneous and isotropic di- electric spheres has been made. Characteristic equations for the TE and TM modes have been derived. Dielectric spheres of radii of the order of µm size are found suitable for the optical frequency region whereas for the microwave ...

  16. Decoupling of Superfluid and Normal Oscillation Modes in Rotating Neutron Stars

    Science.gov (United States)

    Kantor, E. M.; Gusakov, M. E.

    2012-12-01

    It was shown in Gusakov & Kantor (2011) that equations governing oscillations of superfluid neutron stars can be split into two systems of weakly coupled equations, one describing the superfluid modes and another one, the normal modes. Here we demonstrate that similar decoupling of modes also occurs in rotating NSs. To this aim we formulated the relativistic hydrodynamics of superfluid mixtures allowing for vortices. Our results indicate, in particular, that emission of gravitational waves from superfluid oscillation modes is suppressed in comparison to that from normal modes. The proposed approach allows one to drastically simplify modeling of oscillations of superfluid rotating neutron stars.

  17. Sparse Representation Based Frequency Detection and Uncertainty Reduction in Blade Tip Timing Measurement for Multi-Mode Blade Vibration Monitoring

    Science.gov (United States)

    Pan, Minghao; Yang, Yongmin; Guan, Fengjiao; Hu, Haifeng; Xu, Hailong

    2017-01-01

    The accurate monitoring of blade vibration under operating conditions is essential in turbo-machinery testing. Blade tip timing (BTT) is a promising non-contact technique for the measurement of blade vibrations. However, the BTT sampling data are inherently under-sampled and contaminated with several measurement uncertainties. How to recover frequency spectra of blade vibrations though processing these under-sampled biased signals is a bottleneck problem. A novel method of BTT signal processing for alleviating measurement uncertainties in recovery of multi-mode blade vibration frequency spectrum is proposed in this paper. The method can be divided into four phases. First, a single measurement vector model is built by exploiting that the blade vibration signals are sparse in frequency spectra. Secondly, the uniqueness of the nonnegative sparse solution is studied to achieve the vibration frequency spectrum. Thirdly, typical sources of BTT measurement uncertainties are quantitatively analyzed. Finally, an improved vibration frequency spectra recovery method is proposed to get a guaranteed level of sparse solution when measurement results are biased. Simulations and experiments are performed to prove the feasibility of the proposed method. The most outstanding advantage is that this method can prevent the recovered multi-mode vibration spectra from being affected by BTT measurement uncertainties without increasing the probe number. PMID:28758952

  18. Resonant electron-impact excitation of vibrational modes in polyatomic molecules

    Science.gov (United States)

    Cartwright, David C.; Trajmar, Sandor

    1996-04-01

    Measured differential cross sections (DCSs) for electron-impact excitation of bending vibrational modes involving an odd number of vibrational quanta in 0953-4075/29/8/018/img5 by 4 eV incident energy electrons display a strong trend to zero for forward and backward scattering which is characteristic of `symmetry-forbidden' transitions. This DCS behaviour is postulated here to be produced by a Feshbach resonant mechanism involving a low-lying bent excited state of 0953-4075/29/8/018/img5. The model described here identifies three additional low-lying bent excited states of 0953-4075/29/8/018/img5 which could also be parent states for core-excited Feshbach resonances, one of which may play a role in dissociative attachment in this 3.5 - 5.0 eV energy region. The resonant vibrational excitation mechanism proposed here is also believed to be operative in other polyatomic molecules and could be investigated by performing selected electron energy-loss measurements within the lowest energy resonance regions of the molecules 0953-4075/29/8/018/img8 and 0953-4075/29/8/018/img9.

  19. Ultrasensitive broadband probing of molecular vibrational modes with multifrequency optical antennas.

    Science.gov (United States)

    Aouani, Heykel; Šípová, Hana; Rahmani, Mohsen; Navarro-Cia, Miguel; Hegnerová, Kateřina; Homola, Jiří; Hong, Minghui; Maier, Stefan A

    2013-01-22

    Optical antennas represent an enabling technology for enhancing the detection of molecular vibrational signatures at low concentrations and probing the chemical composition of a sample in order to identify target molecules. However, efficiently detecting different vibrational modes to determine the presence (or the absence) of a molecular species requires a multispectral interrogation in a window of several micrometers, as many molecules present informative fingerprint spectra in the mid-infrared between 2.5 and 10 μm. As most nanoantennas exhibit a narrow-band response because of their dipolar nature, they are not suitable for such applications. Here, we propose the use of multifrequency optical antennas designed for operating with a bandwidth of several octaves. We demonstrate that surface-enhanced infrared absorption gains in the order of 10(5) can be easily obtained in a spectral window of 3 μm with attomolar concentrations of molecules, providing new opportunities for ultrasensitive broadband detection of molecular species via vibrational spectroscopy techniques.

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

    Science.gov (United States)

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

    2013-11-01

    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.

  1. Experimental and theoretical model of reactivity and vibrational detection modes of triacetone triperoxide (TATP) and homologues

    Science.gov (United States)

    Pacheco-Londono, Leonardo C.; Primera-Pedrozo, Oliva M.; Hernandez-Rivera, Samuel P.

    2004-12-01

    Fully optimized molecular geometry, parameters of reactivity and vibrational spectra of triacetone triperoxide (TATP) and homologue organic peroxides were calculated using B3LYP/6-31G(d,p) method within the Density Functional Theory formalism. Infrared and Raman Spectroscopy were utilized to obtain vibrational spectra of the energetic compound. The model consists in the relation found between the Raman Shift location of the important symmetric stretch ν(O-O) of the organic peroxides and the reactivity of the organic peroxides. A good correlation between the band location in the series studied and the x-y plane polarizability component and the ionization energy was found. Gas phase IR absorption of TATP in air was used for developing stand-off detection schemes of the important organic peroxide in air. The sublimation properties of TATP were measured using two methods: Grazing Angle Probe-Fiber Coupled FTIR and gravimetric on stainless steel surfaces. Sublimation rates, loading concentration values and absorbance band areas were measured and modeled using the persistent IR vibrational signature of the ν(C-O) mode.

  2. 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.

  3. Semi-active damping with negative stiffness for multi-mode cable vibration mitigation: approximate collocated control solution

    Science.gov (United States)

    Weber, F.; Distl, H.

    2015-11-01

    This paper derives an approximate collocated control solution for the mitigation of multi-mode cable vibration by semi-active damping with negative stiffness based on the control force characteristics of clipped linear quadratic regulator (LQR). The control parameters are derived from optimal modal viscous damping and corrected in order to guarantee that both the equivalent viscous damping coefficient and the equivalent stiffness coefficient of the semi-active cable damper force are equal to their desired counterparts. The collocated control solution with corrected control parameters is numerically validated by free decay tests of the first four cable modes and combinations of these modes. The results of the single-harmonic tests demonstrate that the novel approach yields 1.86 times more cable damping than optimal modal viscous damping and 1.87 to 2.33 times more damping compared to a passive oil damper whose viscous damper coefficient is optimally tuned to the targeted mode range of the first four modes. The improvement in case of the multi-harmonic vibration tests, i.e. when modes 1 and 3 and modes 2 and 4 are vibrating at the same time, is between 1.55 and 3.81. The results also show that these improvements are obtained almost independent of the cable anti-node amplitude. Thus, the proposed approximate real-time applicable collocated semi-active control solution which can be realized by magnetorheological dampers represents a promising tool for the efficient mitigation of stay cable vibrations.

  4. 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.

  5. 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...

  6. Control of Chaos in Rate-Dependent Friction-Induced Vibration Using Adaptive Sliding Mode Control and Impulse Damper

    Directory of Open Access Journals (Sweden)

    Ehsan Maani Miandoab

    2013-01-01

    Full Text Available Two different control methods, namely, adaptive sliding mode control and impulse damper, are used to control the chaotic vibration of a block on a belt system due to the rate-dependent friction. In the first method, using the sliding mode control technique and based on the Lyapunov stability theory, a sliding surface is determined, and an adaptive control law is established which stabilizes the chaotic response of the system. In the second control method, the vibration of this system is controlled by an impulse damper. In this method, an impulsive force is applied to the system by expanding and contracting the PZT stack according to efficient control law. Numerical simulations demonstrate the effectiveness of both methods in controlling the chaotic vibration of the system. It is shown that the settling time of the controlled system using impulse damper is less than that one controlled by adaptive sliding mode control; however, it needs more control effort.

  7. Hydrogen Bonds and the Vibrational Modes of Water at Interfaces: ab-initio Molecular Dynamics meets Neutron Scattering

    Science.gov (United States)

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

    2008-03-01

    We study the vibrational density of states (VDOS) of a thin water layer on the rutile (110) surface. The VDOS is obtained from the velocity-velocity autocorrelation function calculated from trajectories of large scale ab-initio molecular dynamics simulations. The rutile surface induces a shift to lower frequencies of the stretching modes with respect to pure water. The water vapor surface shows a peak at the vibrational frequency of free hydroxyls. Overall, the average stretching mode vibrational frequency increases with decreasing hydrogen bonding density. This density depends strongly on temperature. The water dissociation percentage at the surface can be correlated with the ratio between the weights of the stretching and the bending modes. Our results are in good agreement with inelastic neutron scattering measurements done on wet titania nanoparticles.

  8. 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.

  9. Computational Modeling of the Size Effects on the Optical Vibrational Modes of H-Terminated Ge Nanostructures

    Directory of Open Access Journals (Sweden)

    Miguel Cruz-Irisson

    2013-04-01

    Full Text Available The vibrational dispersion relations of porous germanium (pGe and germanium nanowires (GeNWs were calculated using the ab initio density functional perturbation theory with a generalized gradient approximation with norm-conserving pseudopotentials. Both pores and nanowires were modeled using the supercell technique. All of the surface dangling bonds were saturated with hydrogen atoms. To address the difference in the confinement between the pores and the nanowires, we calculated the vibrational density of states of the two materials. The results indicate that there is a slight shift in the highest optical mode of the Ge-Ge vibration interval in all of the nanostructures due to the phonon confinement effects. The GeNWs exhibit a reduced phonon confinement compared with the porous Ge due to the mixed Ge-dihydride vibrational modes around the maximum bulk Ge optical mode of approximately 300 cm−1; however, the general effects of such confinements could still be noticed, such as the shift to lower frequencies of the highest optical mode belonging to the Ge vibrations.

  10. 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.

  11. Quasi-normal Modes of Rerssner-Nordström Black Hole

    Science.gov (United States)

    Jiang, Ji-Jian; Liu, Jing-Lun; Li, Chuan-An

    2017-07-01

    The minimum interval of event horizon area of Rerssner-Nordström black hole was calculated via using the loop quantum gravity theory. Based on the first law of black hole thermodynamics, the real part of quasi-normal modes frequency of the black hole was calculated. The expression of asymptotically quasi-normal mode frequency of Rerssner-Nordström black hole was deduced strictly. By analyzing the value of the minimum spin j m i n , the two families of quasi-normal mode spectra of the charged black hole were obtained for j m i n = 1/2 and j m i n = 1 respectively. Our conclusion is in complete agreement with the analytical results of Hod. Our results provide the theoretical basis for the source of the real part of the quasi-normal mode frequency of the black hole.

  12. A magnetic damper for first mode vibration reduction in multimass flexible rotors

    Science.gov (United States)

    Kasarda, M. E. F.; Allaire, P. E.; Humphris, R. R.; Barrett, L. E.

    1989-01-01

    Many rotating machines such as compressors, turbines and pumps have long thin shafts with resulting vibration problems, and would benefit from additional damping near the center of the shaft. Magnetic dampers have the potential to be employed in these machines because they can operate in the working fluid environment unlike conventional bearings. An experimental test rig is described which was set up with a long thin shaft and several masses to represent a flexible shaft machine. An active magnetic damper was placed in three locations: near the midspan, near one end disk, and close to the bearing. With typical control parameter settings, the midspan location reduced the first mode vibration 82 percent, the disk location reduced it 75 percent and the bearing location attained a 74 percent reduction. Magnetic damper stiffness and damping values used to obtain these reductions were only a few percent of the bearing stiffness and damping values. A theoretical model of both the rotor and the damper was developed and compared to the measured results. The agreement was good.

  13. Complex modes of vibration due to small-scale damping in a guitar topplate

    Directory of Open Access Journals (Sweden)

    J. A. Torres

    2010-04-01

    Full Text Available Modal analysis is one of the preeminent methods used by scientists and engineers to study vibrating structures. The frequency responsefunctions obtained through this method, are, in general, complex-valued. There is, however, no agreed-upon interpretation given to thereal and imaginary parts of these functions, even though it is acknowledged that their relative magnitude for different frequencies is relatedto the behaviour of the corresponding modes. A simple model is deduced to describe the shape of the spectrum associated with afinite-length time-signal. There is very good agreement between results obtained using this model and numerical results obtained for,in this case, the vibration of a guitar top-plate using finite element methods. One interpretation of the relative magnitudes of the real and imaginary parts of the frequency response functions is advanced. It is found that stationary-wave behaviour is associated with the dominance of the real or imaginary part; traveling-wave behaviour, on the other hand, occurs when the real and imaginary parts are of the same order of magnitude, as long as the scale of damping is large enough and resonance peaks in the spectrum are close enough.

  14. Closed-Loop Input Shaping Control of Vibration in Flexible Structures via Adaptive Sliding Mode Control

    Directory of Open Access Journals (Sweden)

    Ming-Chang Pai

    2012-01-01

    Full Text Available Input shaping technique is widely used in reducing or eliminating residual vibration of flexible structures. The exact elimination of the residual vibration via input shaping technique depends on the amplitudes and instants of impulse application. However, systems always have parameter uncertainties which can lead to performance degradation. In this paper, a closed-loop input shaping control scheme is developed for uncertain flexible structures. The algorithm is based on input shaping control and adaptive sliding mode control. The proposed scheme does not need a priori knowledge of upper bounds on the norm of the uncertainties, but estimates them by using the adaptation technique. This scheme guarantees closed-loop system stability, and yields good performance and robustness in the presence of parameter uncertainties and external disturbances as well. Furthermore, it is shown that increasing the robustness to parameter uncertainties does not lengthen the duration of the impulse sequence. Simulation results demonstrate the efficacy of the proposed closed-loop input shaping control scheme.

  15. Resonant diffusion of normal alkanes in zeolites: Effect of the zeolite structure and alkane molecule vibrations

    CERN Document Server

    Tsekov, R

    2015-01-01

    Diffusion of normal alkanes in one-dimensional zeolites is theoretically studied on the basis of the stochastic equation formalism. The calculated diffusion coefficient accounts for the vibrations of the diffusing molecule and zeolite framework, molecule-zeolite interaction, and specific structure of the zeolite. It is shown that when the interaction potential is predominantly determined by the zeolite pore structure, the diffusion coefficient varies periodically with the number of carbon atoms of the alkane molecule, a phenomenon called resonant diffusion. A criterion for observable resonance is obtained from the balance between the interaction potentials of the molecule due to the atomic and pore structures of the zeolite. It shows that the diffusion is not resonant in zeolites without pore structure, such as ZSM-12. Moreover, even in zeolites with developed pore structure no resonant dependence of the diffusion constant can be detected if the pore structure energy barriers are not at least three times high...

  16. A simple method for designing structural models with closely spaced modes of vibration

    Science.gov (United States)

    Hallauer, W. L., Jr.; Weisshaar, T. A.; Shostak, A. G.

    1978-01-01

    A simple method for designing a mathematical model with closely spaced vibration modes is described. The design process begins with a reference model having specified geometry, continuous inertia and stiffness distributions, and degrees of freedom, all of which remain unchanged. Two natural frequencies of this model are then forced together by means of systematic perturbation of the model's discrete inertia and stiffness parameters. There is only one eigenvalue solution per design cycle, and the gradient vector is calculated directly from the resulting modal quantities. The minimization procedure employed is unconstrained. As applications, a cantilevered plane grid model with five degrees of freedom and a bending-torsion-oscillator with eleven degrees of freedom are treated.

  17. A comparison of several methods for the calculation of vibration mode shape derivatives

    Science.gov (United States)

    Sutter, T. R.; Camarda, C. J.; Walsh, J. L.; Adelman, H. M.

    1986-01-01

    Four methods for the calculation of derivatives of vibration mode shapes (eigenvectors) with respect to design parameters are reviewed and compared. These methods (finite difference method, Nelson's method, modal method and a modified modal method) are implemented in a general-purpose commercial finite element program and applied to a cantilever beam and a stiffened cylinder with a cutout. A beam tip mass, a beam root height and specific dimensions of the cylinder model comprise the design variables. Data are presented showing the amount of central processor time used to compute the first four eigenvector derivatives for each example problem; errors and rapidity of convergence of the approximate derivative to the exact derivative are taken into account. Nelson's method proved to be most reliable and efficient.

  18. Local vibration modes of shallow thermal donors in nitrogen-doped CZ silicon crystals

    Energy Technology Data Exchange (ETDEWEB)

    Inoue, N. [RIAST, Osaka Prefecture University, Sakai, 599-8570 (Japan) and Nitrogen Measurement WG, JEITA, Tokyo, 101-0062 (Japan)]. E-mail: inouen@riast.osakafu-u.ac.jp; Nakatsu, M. [RIAST, Osaka Prefecture University, Sakai, 599-8570 (Japan); Ono, H. [Japan Fine Ceramics Center, Tokyo, 105-0003 (Japan); Nitrogen Measurement WG, JEITA, Tokyo, 101-0062 (Japan)

    2006-04-01

    Local vibration mode (LVM) infrared absorption from shallow thermal donors (STD) composed of nitrogen-oxygen complexes in nitrogen-doped CZ silicon crystals was examined. The samples whose STD concentration had been determined were measured. The sample dependence of the peaks at 810 and 1018cm{sup -1} was similar to that of STD but the estimated concentration was slightly higher. New LVM peaks were found at 855, 973, 982, 1002cm{sup -1} and so on. Their magnitude and sample dependence agreed well with those of STD. Annealing temperature dependence of other samples supported the results. Annealing time dependence of STD concentration at 650 deg. C was examined. STD peaks at 250, 242 and those at 240, 234 and 238cm{sup -1} behaved differently, suggesting the presence of two kinds of STD origin.

  19. Investigation and Analysis of Current Writing Teaching Mode among English Majors in Normal Universities in China

    Science.gov (United States)

    Zeng, Hang-li

    2010-01-01

    This paper has made an investigation on the current writing teaching mode among English majors in normal universities in China, by means of questionnaire, interview and class observation. The study finds out that the current writing teaching mode is not purely product approach or process approach. In fact, the two approaches to writing co-exist in…

  20. 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...

  1. Multiscale studies on the nonlinear vibration of delaminated composite laminates–global vibration mode with micro buckles on the interfaces

    National Research Council Canada - National Science Library

    Jianghong Xue; Fei Xia; Jun Ye; Jianwen Zhang; Shuhua Chen; Ying Xiong; Zuyuan Tan; Renhuai Liu; Hong Yuan

    2017-01-01

    This paper presents a multiscale approach to study the nonlinear vibration of fiber reinforced composite laminates containing an embedded, through-width delamination dividing the laminate into four sub-laminates...

  2. Steady-state entanglement and normal-mode splitting in an atom-assisted optomechanical system with intensity-dependent coupling

    Energy Technology Data Exchange (ETDEWEB)

    Barzanjeh, Sh. [Department of Physics, Faculty of Science, University of Isfahan, Hezar Jerib, 81746-73441, Isfahan (Iran, Islamic Republic of); School of Science and Technology, Physics Division, Universita di Camerino, I-62032 Camerino (Italy); Naderi, M. H.; Soltanolkotabi, M. [Quantum Optics Group, Department of Physics, Faculty of Science, University of Isfahan, Hezar Jerib, 81746-73441, Isfahan (Iran, Islamic Republic of)

    2011-12-15

    In this paper, we study theoretically bipartite and tripartite continuous variable entanglement as well as normal-mode splitting in a single-atom cavity optomechanical system with intensity-dependent coupling. The system under consideration is formed by a Fabry-Perot cavity with a thin vibrating end mirror and a two-level atom in the Gaussian standing wave of the cavity mode. We first derive the general form of the Hamiltonian describing the tripartite intensity-dependent atom-field-mirror coupling due to the presence of the cavity mode structure. We then restrict our treatment to the first vibrational sideband of the mechanical resonator and derive a tripartite atom-field-mirror Hamiltonian. We show that when the optical cavity is intensely driven, one can generate bipartite entanglement between any pair in the tripartite system and that, due to entanglement sharing, atom-mirror entanglement is efficiently generated at the expense of optical-mechanical and optical-atom entanglement. We also find that in such a system, when the Lamb-Dicke parameter is large enough, one can simultaneously observe the normal mode splitting into three modes.

  3. Formation of aerial standing wave field using ultrasonic sources consisting of multiple stripe-mode transverse vibrating plates

    Science.gov (United States)

    Naito, Koki; Asami, Takuya; Miura, Hikaru

    2015-07-01

    Intense aerial acoustic waves can be produced by an ultrasonic source consisting of a transverse vibrating plate and an external jutting driving point. Previously, we studied the dimensional parameters of vibrating plates to produce stripe-mode patterns and thereby determine the plate dimensions that generate high-quality patterns. In this research, we use four transverse vibrating plates as ultrasonic sources to produce intense standing wave fields in air. As a result, an aerial standing wave field was formed in the field surrounded by four vibrating plates. Furthermore, for a total input power of 30 W for the two ultrasonic sources, a very strong (sound pressure level, 167 dB) wave field is obtained.

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

    NARCIS (Netherlands)

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

    2011-01-01

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

  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

    A conducting bridge of a single hydrogen molecule between Pt electrodes is formed in a break junction experiment. It has a conductance near the quantum unit, G(0)=2e(2)/h, carried by a single channel. Using point-contact spectroscopy three vibration modes are observed and their variation upon...

  6. 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.

  7. Evolution of microstructure and residual stress under various vibration modes in 304 stainless steel welds.

    Science.gov (United States)

    Hsieh, Chih-Chun; Wang, Peng-Shuen; Wang, Jia-Siang; Wu, Weite

    2014-01-01

    Simultaneous vibration welding of 304 stainless steel was carried out with an eccentric circulating vibrator and a magnetic telescopic vibrator at subresonant (362 Hz and 59.3 Hz) and resonant (376 Hz and 60.9 Hz) frequencies. The experimental results indicate that the temperature gradient can be increased, accelerating nucleation and causing grain refinement during this process. During simultaneous vibration welding primary δ -ferrite can be refined and the morphologies of retained δ-ferrite become discontinuous so that δ-ferrite contents decrease. The smallest content of δ-ferrite (5.5%) occurred using the eccentric circulating vibrator. The diffraction intensities decreased and the FWHM widened with both vibration and no vibration. A residual stress can obviously be increased, producing an excellent effect on stress relief at a resonant frequency. The stress relief effect with an eccentric circulating vibrator was better than that obtained using a magnetic telescopic vibrator.

  8. Vibrational spectra and normal coordinate analysis of methyl thionitrite and isotopic analogs

    Science.gov (United States)

    Byler, D. Michael; Susi, Heino

    1981-11-01

    The observed gas-phase IR frequencies for forty-four fundamentals of methyl thionitrite (CH 3SNO) and its d 3-, 13C-, and 15N-substituted analogs have been used to calculate a nineteen-parameter symmetry valence force field. The final refinement resulted in an average error of less than 4 cm -1 (~0.5%) between the calculated and observed frequencies for the four isotopomers. Contrary to earlier reports, relative intensities, isotopic frequency shifts, as well as the calculated potential-energy distribution, all support the assignment of v(CS) to a higher frequency than that of v(SN). For the normal molecule, v(CS) is observed as a weak band at 735 cm -1; by contrast, v(SN) absorbs strongly at 646 cm -1. The NO stretching fundamental occurs at 1535 cm -1 in the gas-phase spectrum of the unsubstituted molecule but shifts to 1507 cm -1 when 15N replaces the normal isotope. The five fundamental bands associated with the skeletal vibrations of CH 3SNO are compared with the analogous absorptions in the spectra of CF 3SNO and CH 3ONO.

  9. 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].

  10. Tsunami modeling with solid Earth-ocean-atmosphere coupled normal modes

    Science.gov (United States)

    Rakoto, V.; Lognonné, P.; Rolland, L.

    2017-11-01

    Tsunamis propagating along the ocean surface generate internal gravity waves which can be detected in the atmosphere and ionosphere using airglow or total electron content (TEC) measurements. Since the late 1960s, the summation of the seismic normal modes of the Earth allows to simulate the seismic ground motions measured by seismometers. We present a detailed case study of the same technique extended to the whole solid Earth-ocean-atmosphere system and show how the extended normal modes can be used to retrieve the tsunami signature not only in the ocean but also in the atmosphere and the ionosphere. On the example of the tsunami triggered by the 2012 Mw = 7.8 Haida Gwaii earthquake, we illustrate the coupling mechanisms under play and investigate in details the propagation properties of Lamb modes, atmospheric gravity modes and tsunami modes. The computed normal modes show a resonance between the tsunami modes and the atmospheric gravity modes at specific frequencies: 1.5, 2 and 2.5 mHz. We highlight that only the 1.5 mHz resonance of the tsunami modes can survive up to the ionospheric heights. Other remarkable features are also presented, such as the arrival of fundamental mode gravity waves prior to the (extended in the atmosphere) tsunami wave and the increased ocean/atmosphere coupling efficiency for larger ocean depths and during daytime. At last, for the purpose of validating the technique, we apply it to three real tsunami events and evaluate how well we quantitatively reconstruct the main features of the sea level anomaly measured by Deep-ocean Assessment and Reporting of Tsunamis buoys and the global positioning system (GPS)-derived TEC perturbation.

  11. Component mode synthesis and large deflection vibration of complex structures. Volume 2: Single-mode large deflection vibrations of beams and plates using finite element method

    Science.gov (United States)

    Mei, Chuh

    1987-01-01

    A finite element method is presented for the large amplitude vibrations of complex structures that can be modelled with beam and rectangular plate elements subjected to harmonic excitation. Both inplane deformation and inertia are considered in the formulation. Derivation of the harmonic force and nonlinear stiffness matrices for a beam and a rectangular plate element are presented. Solution procedures and convergence characteristics of the finite element method are described. Nonlinear response to uniform and concentrated harmonic loadings and improved nonlinear free vibration results are presented for beams and rectangular plates of various boundary conditions.

  12. Isotope effect in normal-to-local transition of acetylene bending modes.

    Science.gov (United States)

    Ma, Jianyi; Xu, Dingguo; Guo, Hua; Tyng, Vivian; Kellman, Michael E

    2012-01-07

    The normal-to-local transition for the bending modes of acetylene is considered a prelude to its isomerization to vinylidene. Here, such a transition in fully deuterated acetylene is investigated using a full-dimensional quantum model. It is found that the local benders emerge at much lower energies and bending quantum numbers than in the hydrogen isotopomer HCCH. This is accompanied by a transition to a second kind of bending mode called counter-rotator, again at lower energies and quantum numbers than in HCCH. These transitions are also investigated using bifurcation analysis of two empirical spectroscopic fitting Hamiltonians for pure bending modes, which helps to understand the origin of the transitions semiclassically as branchings or bifurcations out of the trans- and cis-normal bend modes when the latter become dynamically unstable. The results of the quantum model and the empirical bifurcation analysis are in very good agreement.

  13. Earth's normal mode spectrum below 1mHz observed with a superconducting gravimeter

    Science.gov (United States)

    Raja-Halli, A.; Virtanen, H.; Ruotsalainen, H.

    2012-04-01

    We present new observations of the normal modes 0S2, 0T2, 2S1 and 0S3 observed with the GWR T020 superconducting gravimeter at Metsähovi, Finland. Superconducting gravimeter is well suited for observing the normal mode spectrum of the Earth, primarily due to the low noise levels at seismic bands. Especially in the frequencies below 1mHz, superconducting gravimeters can provide valuable information on the behavior of the modes and further about the Earth's internal structure. The superconducting gravimeter GWR no.T020 has been operating continuously at Metsähovi, since August 1994. We have studied the gravimeter data after larger than magnitude M=8.0 earthquakes, which have occurred between August 1994 and December 2011. A total of 20 M>8.0 earthquakes occurred during this time. In this study we will show the observational threshold level of the GWR T020 gravimeter for the modes 0S2, 2S1, 0S3 and 0T2, and examine the behaviour of these modes. The properties of these gravest normal modes are of great interest as they are a direct result of the Earth's density profile and hence help to constrain the Earth models. The mode 0S2 can be observed in all studied spectra. However, the amplitude of the mode is only slightly above the noise level of 0.01nm/s2 after the weakest earthquakes studied. After earthquakes with magnitudes M>8.4 the splitting of the mode 0S2 into five separate peaks can be clearly seen in the 240 hour spectrum as well as the splitting of the mode 0S3. Modes 2S1 and 0T2 are detected just above the noise level after M>8.8 earthquakes. The toroidal mode 0T2 is observable with gravimeters only due to coupling effects created by rotating Earth and hence is observable only after the most powerful earthquakes studied. In addition we will present a comparison of the observed normal mode frequencies to the theoretical frequencies of the Earth's models PREM and 1066A. The comparison shows slight differences between the theoretical and observed frequency.

  14. 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

  15. Normal Mode Analysis of Propagation Loss at the Bearing Stake Sites

    Science.gov (United States)

    1981-08-01

    estudied to detennine iftheliy can be used to gain signal-to-noise advanitages by selecting necar-hot torni Array dept h’, (U) Normal mode miodeling hias...these reasons we chose to use random phase computations to investigate the widest range of cases . Figure 3 is a comparison of average normal mode losses...in this case , the variation of up to 0.5 dB in the averages is not likely to be due to chance RANDOM PHASE 80 -g--50.km RANGE BIN AVERAGES80 z 90 !iC

  16. 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.

  17. Localised vibrational mode spectroscopy studies of self-interstitial clusters in neutron irradiated silicon

    Energy Technology Data Exchange (ETDEWEB)

    Londos, C. A.; Antonaras, G. [University of Athens, Solid State Physics Section, Panepistimiopolis Zografos, Athens 157 84 (Greece); Chroneos, A. [Materials Engineering, The Open University, Milton Keynes MK7 6AA (United Kingdom); Department of Materials, Imperial College, London SW7 2AZ (United Kingdom)

    2013-07-28

    The evolution of self-interstitial clusters in silicon (Si), produced by fast neutron irradiation of silicon crystals followed by anneals up to 750 °C, is investigated using localised vibrational mode spectroscopy. A band at 582 cm{sup −1} appears after irradiation and is stable up to 550 °C was attributed to small self-interstitial clusters (I{sub n}, n ≤ 4), with the most probable candidate the I{sub 4} structure. Two bands at 713 and 758 cm{sup −1} arising in the spectra upon annealing of the 582 cm{sup −1} band and surviving up to ∼750 °C were correlated with larger interstitial clusters (I{sub n}, 5 ≤ n ≤ 8), with the most probable candidate the I{sub 8} structure or/and with chainlike defects which are precursors of the (311) extended defects. The results illustrate the presence of different interstitial clusters I{sub n}, at the various temperature intervals of the material, in the course of an isochronal anneal sequence. As the annealing temperature increases, they evolve from first-order structures with a small number of self-interstitials (I{sub n}, n ≤ 4) for the temperatures 50 < T < 550 °C, to second order structures (I{sub n}, 5 ≤ n ≤ 8) with a larger number of interstitials, for the temperatures 550 < T < 750 °C.

  18. Local vibration modes and nitrogen incorporation in AlGaAs:N layers

    Energy Technology Data Exchange (ETDEWEB)

    Gallardo, E.; Lazic, S.; Calleja, J.M. [Dept. de Fisica de Materiales, Universidad Autonoma de Madrid (Spain); Miguel-Sanchez, J.; Montes, M.; Hierro, A.; Gargallo-Caballero, R.; Guzman, A.; Munoz, E. [Instituto de Sistemas Optoelectronicos y Microtecnologia, Universidad Politecnica de Madrid (Spain); Teweldeberhan, A.M.; Fahy, S. [Tyndall National Institute, Cork (Ireland)

    2008-07-01

    Raman scattering measurements in dilute AlGaAs:N films grown by plasma-assisted molecular beam epitaxy on (100) GaAs substrates reveal strong local vibration modes (LVM) associated to N complexes. The LVM observed frequencies between 325 and 540 cm{sup -1} are in good agreement with density functional theory supercell calculations of Al{sub n}Ga{sub 4-n}N complexes (n=1,2,3,4). We find that the observed LVMs correspond to all n values including Al{sub 4}N. The LVMs spectra are resonant at energies around 1.85 eV. The values of the extended phonon frequencies of the ternary compound (GaAs and AlAs-like) reveal changes in the N distribution depending on the growth conditions: A transition from random- to non-random nitrogen distribution is observed upon increasing the growth temperature. Our results confirm the preferential bonding of N to Al in AlGaAs:N, due to the higher Al-N bond strength as compared to the Ga-N bond. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  19. On the correlation between phase-locking modes and Vibrational Resonance in a neuronal model

    Science.gov (United States)

    Morfu, S.; Bordet, M.

    2018-02-01

    We numerically and experimentally investigate the underlying mechanism leading to multiple resonances in the FitzHugh-Nagumo model driven by a bichromatic excitation. Using a FitzHugh-Nagumo circuit, we first analyze the number of spikes triggered by the system in response to a single sinusoidal wave forcing. We build an encoding diagram where different phase-locking modes are identified according to the amplitude and frequency of the sinusoidal excitation. Next, we consider the bichromatic driving which consists in a low frequency sinusoidal wave perturbed by an additive high frequency signal. Beside the classical Vibrational Resonance phenomenon, we show in real experiments that multiple resonances can be reached by an appropriate setting of the perturbation parameters. We clearly establish a correlation between these resonances and the encoding diagram of the low frequency signal free FitzHugh-Nagumo model. We show with realistic parameters that sharp transitions of the encoding diagram allow to predict the main resonances. Our experiments are confirmed by numerical simulations of the system response.

  20. Updated Outer Core Reference Model from a Bayesian Inversion of Normal Mode Eigenfrequencies

    Science.gov (United States)

    Cottaar, Sanne; Irving, Jessica; Lekic, Vedran

    2017-04-01

    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 as well as satisfying other physical requirements. 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 assuming a smooth polynomial parametrization (similar to PREM), or assuming an Equation-of-State and adiabaticity and inverting directly for thermo-elastic parameters. Independent of the parameterisation we find that the top of the outer core is denser and has a steeper velocity profile than suggested by PREM. The velocity model we propose from our inversion of normal modes is in good agreement with velocity models based purely on body waves.

  1. 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.

  2. 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.

  3. 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.

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

    Science.gov (United States)

    Zizys, Darius; Gaidys, Rimvydas; Dauksevicius, Rolanas; Ostasevicius, Vytautas; Daniulaitis, Vytautas

    2015-12-23

    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.

  5. A novel scheme for the discrete prediction of high-frequency vibration response: Discrete singular convolution-mode superposition approach

    Science.gov (United States)

    Seçgin, Abdullah; Saide Sarıgül, A.

    2009-03-01

    This study introduces a novel scheme for the discrete high-frequency forced vibration analysis based on discrete singular convolution (DSC) and mode superposition (MS) approaches. The accuracy of the DSC-MS is validated for thin beams and plates by comparing with available analytical solutions. The performance of the DSC-MS is evaluated by predicting spatial distribution and discrete frequency spectra of the vibration response of thin plates with two different boundary conditions. The frequency spectra of the time-harmonic excitation forces are in the form of ideal and band-limited white noise so that the natural modes in the frequency band are provoked. The solution exposes high-frequency response behaviour definitely. Therefore, it is hoped with this paper to contribute the studies on the treatment of uncertainties in the high-frequency design applications.

  6. Effect of surface related organic vibrational modes in luminescent upconversion dynamics of rare earth ions doped nanoparticles.

    Science.gov (United States)

    Wang, Yu; Smolarek, Szymon; Kong, Xianggui; Buma, Wybren Jan; Brouwer, Albert Manfred; Zhang, Hong

    2010-11-01

    Physical and chemical properties of nanoparticles are known to be subject to the surface factors. For their biological/biomedical applications, typically, surface of the nanoparticles has to be modified which inevitably affects their performance. In this work we have studied the interaction between the surface related organic vibrational modes and the luminescent centers--rare earth ions--in one of the most efficient luminescence upconversion nanosystems--NaYF4. Specifically, the surface quenching centers, the surface related luminescent centers, as well as the role of shell properties, are investigated spectroscopically. Our results demonstrate that the surface related high-frequency vibrational modes can be critical to the spectral properties of the nanosystems once the surface is not well separated from the discrete luminescent centers.

  7. Anisotropy of Earth's inner core intrinsic attenuation from seismic normal mode models

    NARCIS (Netherlands)

    Mäkinen, Anna M.; Deuss, Arwen; Redfern, Simon A T

    2014-01-01

    The Earth's inner core, the slowly growing sphere of solid iron alloy at the centre of our planet, is known to exhibit seismic anisotropy. Both normal mode and body wave studies have established that, when the global average is taken, compressional waves propagate faster in the North-South direction

  8. Dissipative shock waves in all-normal-dispersion mode-locked fiber lasers.

    Science.gov (United States)

    Lecaplain, C; Soto-Crespo, J M; Grelu, Ph; Conti, C

    2014-01-15

    We propose an interpretation of the pronounced "M" spectral shape that is a recurrent feature in all-normal-dispersion mode-locked fiber laser dynamics. Our interpretation involves shock wave formation regularized by dissipation, modeled by a modified Burgers equation. The large fringes appearing at the edges of the spectrum result from discontinuities in the spectral phase.

  9. Normal-Incidence PEEM Imaging of Propagating Modes in a Plasmonic Nanocircuit.

    Science.gov (United States)

    Razinskas, Gary; Kilbane, Deirdre; Melchior, Pascal; Geisler, Peter; Krauss, Enno; Mathias, Stefan; Hecht, Bert; Aeschlimann, Martin

    2016-11-09

    The design of noble-metal plasmonic devices and nanocircuitry requires a fundamental understanding and control of the interference of plasmonic modes. Here we report the first visualization of the propagation and interference of guided modes in a showcase plasmonic nanocircuit using normal-incidence nonlinear two-photon photoemission electron microscopy (PEEM). We demonstrate that in contrast to the commonly used grazing-incidence illumination scheme, normal-incidence PEEM provides a direct image of the structure's near-field intensity distribution due to the absence of beating patterns and despite the transverse character of the plasmonic modes. Based on a simple heuristic numerical model for the photoemission yield, we are able to model all experimental findings if global plane wave illumination and coupling to multiple input/output ports, and the resulting interference effects are accounted for.

  10. Selective self-excitation of higher vibrational modes of graphene nano-ribbons and carbon nanotubes through magnetomotive instability

    OpenAIRE

    Nordenfelt, Anders

    2011-01-01

    We demonstrate theoretically the feasibility of selective self-excitation of higher-mode flexural vibrations of graphene nano-ribbons and carbon nanotubes by the means of magnetomotive instability. Apart from the mechanical resonator, the device consists only of a constant voltage source, an inductor, a capacitor, a gate electrode and a constant magnetic field. Numerical simluations were performed on both graphene and carbon nanotubes displaying an overall similar behaviour, but with some dif...

  11. Abstract: Stoichiometry, Vibrational Modes and Structures of Molten Nb2O5-K2S2O7 Mixtures

    DEFF Research Database (Denmark)

    Boghosian, S.; Borup, F.; Berg, Rolf W.

    1998-01-01

    High temperature Raman spectroscopy is used tostudy the vibrational modes and structures of the Nb205-K2S207(0 stoichiometry are performed...... in order to characterise the complex(es) formed. The determination of stoichiometry is done following a general procedure which is based on a simple formalism correlating measurements of relative Raman band intensities with the stoichiometry of solutes in molten salt solvents....

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

    Science.gov (United States)

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

    2017-03-01

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

  13. Vibrational coherence in polar solutions of Zn(II) tetrakis(N-methylpyridyl)porphyrin with Soret-band excitation: rapidly damped intermolecular modes with clustered solvent molecules and slowly damped intramolecular modes from the porphyrin macrocycle.

    Science.gov (United States)

    Dillman, Kevin L; Shelly, Katherine R; Beck, Warren F

    2009-04-30

    Ground-state coherent wavepacket motions arising from intermolecular modes with clustered, first-shell solvent molecules were observed using the femtosecond dynamic absorption technique in polar solutions of Zn(II) meso-tetrakis(N-methylpyridyl)porphyrin (ZnTMPyP) with excitation in the Soret absorption band. As was observed previously in bacteriochlorophyll a solution, the pump-probe transients in ZnTMPyP solutions are weakly modulated by slowly damped (effective damping time gamma > 1 ps) features that are assigned to intramolecular modes, the skeletal normal modes of vibration of the porphyrin. The 40 cm(-1) and 215 cm(-1) modes from the metal-doming and metal-solvent-ligand modes, respectively, are members of this set of modulation components. A slowly damped 2-4 cm(-1) component is assigned to the internal rotation of the N-methylpyridyl rings with respect to the porphyrin macrocycle; this mode obtains strong resonance Raman intensity enhancement from an extensive delocalization of pi-electron density from the porphyrin in the ground state onto the rings in the pi* excited states. The dominant features observed in the pump-probe transients are a pair of rapidly damped (gamma modes with solvent molecules. This structural assignment is supported by an isotope-dependent shift of the average mode frequencies in methanol and perdeuterated methanol. The solvent dependence of the mean intermolecular mode frequency is consistent with a van der Waals intermolecular potential that has significant contributions only from the London dispersion and induction interactions; ion-dipole or ion-induced-dipole terms do not make large contributions because the pi-electron density is not extensively delocalized onto the N-methylpyridyl rings. The modulation depth associated with the intermolecular modes exhibits a marked dependence on the electronic structure of the solvent that is probably related to the degree of covalency; the strongest modulations are observed in acetonitrile

  14. In Vitro Comparison of a Vibrating Mesh Nebulizer Operating in Inspiratory Synchronized and Continuous Nebulization Modes During Noninvasive Ventilation.

    Science.gov (United States)

    Michotte, Jean-Bernard; Staderini, Enrico; Le Pennec, Deborah; Dugernier, Jonathan; Rusu, Rares; Roeseler, Jean; Vecellio, Laurent; Liistro, Giuseppe; Reychler, Grégory

    2016-08-01

    Backround: Coupling nebulization with noninvasive ventilation (NIV) has been shown to be effective in patients with respiratory diseases. However, a breath-synchronized nebulization option that could potentially improve drug delivery by limiting drug loss during exhalation is currently not available on bilevel ventilators. The aim of this in vitro study was to compare aerosol delivery of amikacin with a vibrating mesh nebulizer coupled to a single-limb circuit bilevel ventilator, using conventional continuous (Conti-Neb) and experimental inspiratory synchronized (Inspi-Neb) nebulization modes. Using an adult lung bench model of NIV, we tested a vibrating mesh device coupled with a bilevel ventilator in both nebulization modes. Inspi-Neb delivered aerosol only during the whole inspiratory phase, whereas Conti-Neb delivered aerosol continuously. The nebulizer was charged with amikacin solution (250 mg/3 mL) and placed at two different positions: between the lung and exhalation port and between the ventilator and exhalation port. Inhaled, expiratory wasted and circuit lost doses were assessed by residual gravimetric method. Particle size distribution of aerosol delivered at the outlet of the ventilator circuit during both nebulization modes was measured by laser diffraction method. Regardless of the nebulizer position, Inspi-Neb produced higher inhaled dose (p lung and exhalation port (48.7% ± 0.3% of the nominal dose). During simulated NIV with a single-limb circuit bilevel ventilator, the use of inspiratory synchronized vibrating mesh nebulization improves respirable dose and reduces drug loss of amikacin compared with continuous vibrating mesh nebulization.

  15. On rotational normal modes of the Earth: Resonance, excitation, convolution, deconvolution and all that

    Directory of Open Access Journals (Sweden)

    Benjamin Fong Chao

    2017-11-01

    Full Text Available Earth's Coriolis force profoundly alters the eigen frequencies, eigen functions, and excitation of rotational normal modes. Some rotational modes of the solid mantle-fluid outer core-solid inner core Earth system are confirmed observationally and some remain elusive. Here we bring together from literature assertions about an excited resonance system in terms of the Green's function and temporal convolution. We raise caveats against taking the face values of the oscillational motion which have been “masqueraded” by the convolution, necessitating deconvolution for retrieving the excitation function which reflects the true variability. Lastly we exemplify successful applications of the deconvolution in estimating resonance complex frequencies.

  16. Development and applications of two computational procedures for determining the vibration modes of structural systems. [aircraft structures - aerospaceplanes

    Science.gov (United States)

    Kvaternik, R. G.

    1975-01-01

    Two computational procedures for analyzing complex structural systems for their natural modes and frequencies of vibration are presented. Both procedures are based on a substructures methodology and both employ the finite-element stiffness method to model the constituent substructures. The first procedure is a direct method based on solving the eigenvalue problem associated with a finite-element representation of the complete structure. The second procedure is a component-mode synthesis scheme in which the vibration modes of the complete structure are synthesized from modes of substructures into which the structure is divided. The analytical basis of the methods contains a combination of features which enhance the generality of the procedures. The computational procedures exhibit a unique utilitarian character with respect to the versatility, computational convenience, and ease of computer implementation. The computational procedures were implemented in two special-purpose computer programs. The results of the application of these programs to several structural configurations are shown and comparisons are made with experiment.

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

    Science.gov (United States)

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

    2016-06-01

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

  18. Full dimensional Franck-Condon factors for the acetylene tilde{{A}} 1Au—{tilde{X}} {^1Σ _g^+} transition. I. Method for calculating polyatomic linear—bent vibrational intensity factors and evaluation of calculated intensities for the gerade vibrational modes in acetylene

    Science.gov (United States)

    Park, G. Barratt

    2014-10-01

    Franck-Condon vibrational overlap integrals for the tilde{A} {^1A_u}—{tilde{X}} {^1Σ _g^+} transition in acetylene have been calculated in full dimension in the harmonic normal mode basis. The calculation uses the method of generating functions first developed for polyatomic Franck-Condon factors by Sharp and Rosenstock [J. Chem. Phys. 41(11), 3453-3463 (1964)], and previously applied to acetylene by Watson [J. Mol. Spectrosc. 207(2), 276-284 (2001)] in a reduced-dimension calculation. Because the transition involves a large change in the equilibrium geometry of the electronic states, two different types of corrections to the coordinate transformation are considered to first order: corrections for axis-switching between the Cartesian molecular frames and corrections for the curvilinear nature of the normal modes at large amplitude. The angular factor in the wavefunction for the out-of-plane component of the trans bending mode, ν _4^' ' }, is treated as a rotation, which results in an Eckart constraint on the polar coordinates of the bending modes. To simplify the calculation, the other degenerate bending mode, ν _5^' ' }, is integrated in the Cartesian basis and later transformed to the constrained polar coordinate basis, restoring the conventional v and l quantum numbers. An updated tilde{A}-state harmonic force field obtained recently in the R. W. Field research group is evaluated. The results for transitions involving the gerade vibrational modes are in qualitative agreement with experiment. Calculated results for transitions involving ungerade modes are presented in Paper II of this series [G. B. Park, J. H. Baraban, and R. W. Field, "Full dimensional Franck-Condon factors for the acetylene tilde{A} {^1A_u}—{tilde{X}} {^1Σ _g^+} transition. II. Vibrational overlap factors for levels involving excitation in ungerade modes," J. Chem. Phys. 141, 134305 (2014)].

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

    DEFF Research Database (Denmark)

    Dantan, Aurélien; Marler, Joan; Albert, Magnus

    2010-01-01

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

  20. Experimental and DFT dimer modeling studies of the H-bond induced-vibration modes of l-β-Homoserine.

    Science.gov (United States)

    Yalagi, Shashikala; Tonannavar, J; Yenagi, Jayashree

    2017-06-15

    The vibrational spectra for l-β-Homoserine have been measured (IR absorption: 4000-400cm(-1)/Raman spectra: 4000-200cm(-1)). Characteristic vibrational modes of ammonium (-NH3(+)), carboxylate (-CO2(-)) and hydroxyl (-OH) groups across the 3700-1400cm(-1) are all identified to have originated in inter-molecular hydrogen bonding involving these functional groups. DFT calculations at B3LYP/6-311++G(d, p) level have yielded a single neutral monomer in the gas phase. Since as a member of the amino acids which are known to possess zwitterionic structure in condensed phase, the neutral monomer of l-β-Homoserine is optimized to a zwitterionic structure in a water medium. Consideration of two dimer structures, one dimer with -NH‧‧‧O bond and another -OH‧‧‧O bond, has given rise to vibrational modes that satisfactorily fit to all the observed absorption and Raman bands. It is found that the dimer with -OH‧‧‧O bond (binding energy, 8.896kcal/mol) is more tightly bound than the dimer with -NH‧‧‧O bond (8.363kcal/mol). Copyright © 2017 Elsevier B.V. All rights reserved.

  1. Sensitivity of helioseismic measurements of normal-mode coupling to flows and sound-speed perturbations

    Science.gov (United States)

    Hanasoge, Shravan M.; Woodard, Martin; Antia, H. M.; Gizon, Laurent; Sreenivasan, Katepalli R.

    2017-09-01

    In this article, we derive and compute the sensitivity of measurements of coupling between normal modes of oscillation in the Sun to underlying flows. The theory is based on first-born perturbation theory, and the analysis is carried out using the formalism described by Lavely & Ritzwoller (1992). Albeit tedious, we detail the derivation and compute the sensitivity of specific pairs of coupled normal modes to anomalies in the interior. Indeed, these kernels are critical for the accurate inference of convective flow amplitudes and large-scale circulations in the solar interior. We resolve some inconsistencies in the derivation of Lavely & Ritzwoller (1992) and reformulate the fluid-continuity condition. We also derive and compute sound-speed kernels, paving the way for inverting for thermal anomalies alongside flows.

  2. High-frequency Born synthetic seismograms based on coupled normal modes

    Science.gov (United States)

    Pollitz, Fred F.

    2011-01-01

    High-frequency and full waveform synthetic seismograms on a 3-D laterally heterogeneous earth model are simulated using the theory of coupled normal modes. The set of coupled integral equations that describe the 3-D response are simplified into a set of uncoupled integral equations by using the Born approximation to calculate scattered wavefields and the pure-path approximation to modulate the phase of incident and scattered wavefields. This depends upon a decomposition of the aspherical structure into smooth and rough components. The uncoupled integral equations are discretized and solved in the frequency domain, and time domain results are obtained by inverse Fourier transform. Examples show the utility of the normal mode approach to synthesize the seismic wavefields resulting from interaction with a combination of rough and smooth structural heterogeneities. This approach is applied to an ∼4 Hz shallow crustal wave propagation around the site of the San Andreas Fault Observatory at Depth (SAFOD).

  3. 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.

  4. On the discrepancy in measurement of Q using surface waves and normal modes

    Science.gov (United States)

    Meschede, M.; Romanowicz, B. A.

    2012-12-01

    We revisit the decade-old unsolved problem of why measurements of the quality factor (Q) for fundamental mode propagating Rayleigh waves differs by up to 20% from that measured using normal modes, in the frequency band where both approaches are possible. Surface wave measurements consistently yield lower Q values than modes. Since it is unclear which measurement is more accurate, this is currently a limitation on the resolution of 1D average Q profiles in the Earth, compounded by the fact that the measurement bias may not only affect the region of the spectrum where both methods are available but every Q measurement that is based upon one or the other of the mentioned techniques. We investigate the effect of elastic focussing and defocussing on long time series using a spectral element method that we have shown to be accurate enough for the relevant period ranges and the necessarily long time series. While previous investigations are based upon approximate methods that are only valid for smooth 3D models and weak heterogeneities, the SEM allows us to estimate the effect of more realistic distributions of heterogeneities on amplitude measurements, and therefore Q. Our investigations show a bias towards lower Q in the first arriving surface wave trains and a bias towards higher Q in later arrivals which could explain the mode surface-wave discrepancy. Heuristically this can be explained by the fact that energy that has been scattered off the great circle path is brought back into the great circle after multiple-orbits, leading to increased amplitude in late arrivals. Further we reinvestigate the effects of noise that predominantly influences the later part of the seismogram, the effect of post-processing as well as mode amplitude modulations that could potentially bias the measurements. We plan to present preliminary results on applying our insights to debias real data and reduce the error bounds on 1D Q models from normal modes and surface waves.

  5. Evidence for cooperative vibrational relaxation of the NH-, OH-, and OD-stretching modes in hydrogen-bonded liquids using infrared pump-probe spectroscopy.

    Science.gov (United States)

    Shaw, D J; Panman, M R; Woutersen, S

    2009-11-27

    Vibrational energy relaxation of the NH-, OH-, and OD-stretching modes in hydrogen-bonded liquids has been investigated by means of infrared pump-probe spectroscopy. The relaxation rates have been determined both in neat liquids and in isotopic mixtures with systematically varied isotope fractions. In all liquids, the vibrational relaxation rate increases as the isotope fraction is increased and reaches a maximum in the neat liquid. The dependence of the relaxation rate on the isotope fraction suggests a relaxation channel in which the vibrational energy is partitioned between accepting modes of two neighboring molecules.

  6. 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.

  7. Anomalous vibrational modes in few layer WTe2 revealed by polarized Raman scattering and first-principles calculations

    Science.gov (United States)

    Cao, Yan; Sheremetyeva, Natalya; Liang, Liangbo; Yuan, Hui; Zhong, Tingting; Meunier, Vincent; Pan, Minghu

    2017-09-01

    When layered transition-metal dichalcogenides (TMDs) are scaled down from a three- to a 2D geometry, electronic and structural transitions occur, leading to the emergence of properties not usually found in the bulk. Here, we report a systematic Raman study of exfoliated semi-metallic WTe2 flakes with thickness ranging from few layers down to a single layer. A dramatic change in the Raman spectra occurs between the monolayer and few-layer WTe2 as a vibrational mode centered at ~86.9 cm-1 in the monolayer splits into two active modes at 82.9 and 89.6 cm-1 in the bilayer. Davydov splitting of these two modes is found in the bilayer, as further evidenced by polarized Raman measurements. Strong angular dependence of Raman modes on the WTe2 film thickness reflects that the existence of directional interlayer interaction, rather than isotropic van der Waals (vdw) coupling, is playing an essential role affecting the phonon modes, especially in anisotropic 2D WTe2 material. Therefore, the strong evolution of Raman modes with thickness and polarization direction, can not only be a reliable fingerprint for the determination of the thickness and the crystallographic orientation, but can also be an ideal probe for such strong and directional interlayer interaction.

  8. Spectroscopic investigation and normal mode analysis of As 4S 4 polymorphs

    Science.gov (United States)

    Muniz-Miranda, M.; Sbrana, G.; Bonazzi, P.; Menchetti, S.; Pratesi, G.

    1996-10-01

    Tetra-arsenic tetrasulfide polymorphs have been investigated by IR, Raman and UV-visible spectroscopies. The mineral realgar ( α-As 4S 4) and the high-temperature phase β-As 4S 4 transform to pararealgar by exposure to monochromatic laser light with a reaction rate depending on the wavelength of the exciting radiation. The photoinduced alteration process has been monitored by Raman spectroscopy, following in real time the spectral changes of the samples undergoing irradiation. A satisfactory assignment of realgar, β-As 4S 4 and pararealgar was obtained by employing a simplified valence force field which provided a complete set of normal coordinates suitable for describing the vibrational spectra of these As 4S 4 polymorphs.

  9. Time-averaged phase-stepped ESPI with CO2 laser and shearography in the visible for identification of vibration mode shapes

    Science.gov (United States)

    Vandenrijt, Jean-François; Thizy, Cédric; Georges, Marc P.

    2015-08-01

    We present investigation of interferometric methods for vibration mode identification to be applied on shakers in industrial environment. We consider long wave infrared ESPI in time-averaged mode with the use of phase-stepping which allows transforming Bessel fringes, typical to the time averaging, into phase values which provide a better way for identification of vibration mode shapes. The use of long laser wavelength allows measuring larger amplitudes of vibrations compared to what is achieved in visible light. Also longer wavelengths allow lower sensitivity to external perturbations. Time-averaged phase-stepped shearography in visible is also used as a compared alternative to LWIR ESPI for working in industrial environments. Although not demonstrated here, an interesting feature for the future investigations on LWIR ESPI is its potentiality of simultaneous temperature measurement during vibrations.

  10. Quenching of self-excited vibrations

    NARCIS (Netherlands)

    Verhulst, F.

    2005-01-01

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

  11. 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.

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

    NARCIS (Netherlands)

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

    2016-01-01

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

  13. 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

  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 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. Simulation of Transient Nonlinear Friction-Induced Vibrations Using Complex Interface Modes: Application to the Prediction of Squeal Events

    Directory of Open Access Journals (Sweden)

    J.-J. Sinou

    2017-01-01

    Full Text Available During the past decades, the problem of friction-induced vibration and noise has been the subject of a huge amount of works. Various numerical simulations with finite elements models have been largely investigated to predict squeal events. Although a nonlinear analysis is more predictive than Complex Eigenvalues Analysis, one of the main drawbacks of the time analysis is the need of large computational efforts. In view of the complexity of the subject, this approach appears still computationally too expensive to be used in industry for finite element models. In this study, the potential of a new reduced model based on a double modal synthesis (i.e., a classical modal reduction via Craig and Bampton plus a condensation at the frictional interface based on complex modes for the prediction of self-excited vibrations of brake squeal is discussed. The effectiveness of the proposed modal reduction is tested on a finite element model of a simplified brake system. It will be shown that numerical results of times analysis by applying the proposed reduction correlate well with those of the nonlinear analysis based on a reference model, hence demonstrating the potential of using adapted modal reductions to predict the squeal propensity and to estimate self-excited vibrations and noise.

  16. Testing techniques and comparisons between theory and test for vibration modes of ring stiffened truncated-cone shells.

    Science.gov (United States)

    Naumann, E. C.

    1972-01-01

    Vibration tests were carried out on truncated-cone shells with widely spaced ring stiffeners. The models were excited by an air shaker for LF modes and by small electrodynamic shakers for HF modes. The Novozhilov thin shell theory according to which a ring is an assembly of an arbitrary number of segments, each being a short truncated-cone shell of uniform thickness, is used in the analysis of the results. A mobile, noncontacting, displacement-sensitive sensor system developed by the author was used in the tests. Tests results are given for a free-free 60-deg cone and for a clamped-free 60-deg cone. The tests are characterized as having considerable value for the classification of prevalent multimode responses in shells of this type.

  17. Free vibration analysis of rectangular plate with arbitrary edge constraints using characteristic orthogonal polynomials in assumed mode method

    Directory of Open Access Journals (Sweden)

    Kookhyun Kim

    2012-09-01

    Full Text Available An approximate method based on an assumed mode method has been presented for the free vibration analysis of a rectangular plate with arbitrary edge constraints. In the presented method, natural frequencies and their mode shapes of the plate are calculated by solving an eigenvalue problem of a multi-degree-of-freedom system matrix equation derived by using Lagrange's equations of motion. Characteristic orthogonal polynomials having the property of Timoshenko beam functions which satisfies edge constraints corresponding to those of the objective plate are used. In order to examine the accuracy of the proposed method, numerical examples of the rectangular plates with various thicknesses and edge constraints have been presented. The results have shown good agreement with those of other methods such as an analytic solution, an approximate solution, and a finite element analysis.

  18. Excess vibrational modes of a crystal in an external non-affine field

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 129; Issue 7. Excess vibrational ... While the former couples to external stress with familiar consequences, the response of a crystal when nonaffine displacements are enhanced using the thermodynamically conjugate field, is relatively less studied. We examine this ...

  19. Ground- and space-based normal mode modeling of the 2011 Tohoku-Oki earthquake

    Science.gov (United States)

    Mann, M.; Clévédé, E.; Lognonne, P.; Rolland, L. M.

    2011-12-01

    On March 11th 2011 at 05:47 UT our planet has been excited by a major earthquake (Mw=9.1) near the east cost of Honshu (Japan). Our work presented here considers the mathematical modeling and geophysical interpretation of the recorded seismic data. Normal modes are the Earth's standing waves and give a great insight into our planet. Furthermore most studies are considering the displacement field caused by an earthquake and thus operate in the time-domain totally ignoring frequency ranges. However the analysis of a body's normal modes allow conclusions about its structure, material and boundary conditions. As a consequence we would like to give a spectral analysis of the normal mode response to the event stated above combining three different approaches. The first is a rather classical one modeling a seismogram and spectral representation using F-NET waveform data from the seismic network of the National Research Institute for Earth Science and Disaster Prevention (NIED). Next we want to change from ground movement to atmospheric disturbances caused by the temporal change of mass distribution affecting the solid Earth. For this we analyzed ionospheric GPS data and elaborated an algorithm allowing to take the satellite's movement during the recording into account. This allows us to get a time series of the vertical TEC (total electron content) above any desired point on the Earth given by its spherical surface coordinates. The third and most experimental approach is to look at geodetic data from ESA's GOCE mission. As seismic wave propagation means redistribution of the Earth's mass this gives an insight into the possibility of earthquake detection from space. Combining all these approaches we have a three-level seismic representation (ground, atmosphere, space) using all possible advantages of the different procedures in order to harness the Earth's response to a seismic event in both, the time and frequency domain providing a better understanding of our planet

  20. Characterization of Non-Linearized Spacecraft Relative Motion using Nonlinear Normal Modes

    Science.gov (United States)

    2016-04-20

    elliptic Keplerian chief orbit in terms of time periodic Nonlinear Normal Modes using the Liapunov-Floquet transformation. If time permits... trajectories using continuous range-only mea- surements in an EKF, an analytical analysis of ambiguous conditions is presented using relative orbital elements...still in the scale of 500 m, the filter successfully keeps the estimated trajectory from diverging. −2 0 2 x 10 4−4 −2 0 2 4 6 8 x 10 4 −2 0 2 x 10 4

  1. [A study of phonon vibration like modes for aggregation structure in silicate melts by high temperature Raman spectrum].

    Science.gov (United States)

    Xu, Pei-Cang; Li, Ru-Bi; Shang, Tong-Ming; Zhou, Jian; Sun, Jian-Hua; You, Jing-Lin

    2010-05-01

    Silicate melts are special fractal dimension system that is metastable state of near-way order and far-way disorder. In this paper, the size of nanometer aggregation structure and the frequences of phonon vibration like mode in the low dimension silicate series (CaO-Al2O3-SiO2 and Na2-Al2O3-SiO2 series) synthesized via high temperature melting and sol gel methods were measured by means of small-angle X-ray scattering (SAXS), low wavenumber Raman spectrum (LWRS) and high temperature Raman spectrum (HTRS in situ measuring). The nanometer self-similarity aggregation structure(it's size is about a few nm to a few tens nm) and phonic phonon vibration like modes of low temperature silicate gel, high temperature silicate melts and it's quenching glasses phases were obtained. So a quantitative method by HTRS for measuring the aggregation size in the high temperature melts was established. The results showed that the aggregation size of the silicate melts is smaller at high temperature than at room temperature and the number of bridge oxygen in one Si-O tetrahedron in network structure units is decreasing at high temperature. This study work provides important theory and information for deliberating geochemistry characteristic, crystallization & evolution of natural magma and enhancing performance of low dimension silicate matelials.

  2. Relationship between bond-breakage correlations and four-point correlations in heterogeneous glassy dynamics: configuration changes and vibration modes.

    Science.gov (United States)

    Shiba, Hayato; Kawasaki, Takeshi; Onuki, Akira

    2012-10-01

    We investigate the dynamic heterogeneities of glassy particle systems in the theoretical schemes of bond breakage and four-point correlation functions. In the bond-breakage scheme, we introduce the structure factor S(b)(q,t) and the susceptibility χ(b)(t) to detect the spatial correlations of configuration changes. Here χ(b)(t) attains a maximum at t=t(b)(max) as a function of time t, where the fraction of the particles with broken bonds φ(b)(t) is about 1/2. In the four-point scheme, treating the structure factor S(4)(q,t) and the susceptibility χ(4)(t), we detect superpositions of the heterogeneity of bond breakage and that of thermal low-frequency vibration modes. While the former grows slowly, the latter emerges quickly to exhibit complex space-time behavior. In two dimensions, the vibration modes extending over the system yield significant contributions to the four-point correlations, which depend on the system size logarithmically. A maximum of χ(4)(t) is attained at t=t(4)(max), where these two contributions become of the same order. As a result, t(4)(max) is considerably shorter than t(b)(max).

  3. Full dimensional Franck-Condon factors for the acetylene ˜{A} 1Au—{˜{X}} {^1Σ _g^+} transition. II. Vibrational overlap factors for levels involving excitation in ungerade modes

    Science.gov (United States)

    Park, G. Barratt; Baraban, Joshua H.; Field, Robert W.

    2014-10-01

    A full-dimensional Franck-Condon calculation has been applied to the tilde{A} 1Au—tilde{X} ^1Σ _g^+ transition in acetylene in the harmonic normal mode basis. Details of the calculation are discussed in Part I of this series. To our knowledge, this is the first full-dimensional Franck-Condon calculation on a tetra-atomic molecule undergoing a linear-to-bent geometry change. In the current work, the vibrational intensity factors for levels involving excitation in ungerade vibrational modes are evaluated. Because the Franck-Condon integral accumulates away from the linear geometry, we have been able to treat the out-of-plane component of trans bend (ν _4^' ' }) in the linear tilde{X} state in the rotational part of the problem, restoring the χ Euler angle and the a-axis Eckart conditions. A consequence of the Eckart conditions is that the out-of-plane component of ν _4^' ' } does not participate in the vibrational overlap integral. This affects the structure of the coordinate transformation and the symmetry of the vibrational wavefunctions used in the overlap integral, and results in propensity rules involving the bending modes of the tilde{X} state that were not previously understood. We explain the origin of some of the unexpected propensities observed in IR-UV laser-induced fluorescence spectra, and we calculate emission intensities from bending levels of the tilde{A} state into bending levels of the tilde{X} state, using normal bending mode and local bending mode basis sets. Our calculations also reveal Franck-Condon propensities for the Cartesian components of the cis bend (ν _5^' ' }), and we predict that the best tilde{A}-state vibrational levels for populating tilde{X}-state levels with large amplitude bending motion localized in a single C-H bond (the acetylene↔vinylidene isomerization coordinate) involve a high degree of excitation in ν _6^' } (cis-bend). Mode ν _4^' } (torsion) populates levels with large amplitude counter-rotational motion of

  4. Non-Debye normalization of the glass vibrational density of states in mildly densified silicate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Mantisi, B; Adichtchev, S; Sirotkin, S; Rafaelly, L; Pillonnet, A; Duval, E; Champagnon, B; Mermet, A [Laboratoire de Physico-Chimie des Materiaux Luminescents, Universite de Lyon, Universite Claude Bernard Lyon 1, UMR 5620 CNRS, 69622 Villeurbanne (France); Wondraczek, L [Department of Materials Science-WW3, University of Erlangen-Nuremberg, Martensstrasse 5, 91058 Erlangen (Germany); Behrens, H [Department of Mineralogy, Leibniz University of Hannover, Callinstrasse 3, 30167 Hannover (Germany); Marcenat, C [CEA, Institut des Nanosciences et Cryognie, SPSMS, LaTEQS, 17 rue des Martyrs, 38054 Grenoble Cedex 9 (France); Surovtsev, N V, E-mail: mermet@pcml.univ-lyon1.f [Institute of Automation and Electrometry, Russian Academy of Sciences, Novosibirsk, 630090 (Russian Federation)

    2010-01-20

    The evolution of the boson peak with densification at medium densification rates (up to 2.3%) in silicate glasses was followed through heat capacity measurements and low frequency Raman scattering. It is shown that the decrease of the boson peak induced by densification does not conform to that expected from a continuous medium; rather it follows a two step behaviour. The comparison of the heat capacity data with the Raman data shows that the light-vibration coupling coefficient is almost unaffected in this densification regime. These results are discussed in relation to the inhomogeneity of the glass elastic network at the nanometre scale.

  5. Reply to "Comment on `Normalization of quasinormal modes in leaky optical cavities and plasmonic resonators' "

    Science.gov (United States)

    Kristensen, Philip Trøst; Ge, Rong-Chun; Hughes, Stephen

    2017-07-01

    We refute all claims of the "Comment on `Normalization of quasinormal modes in leaky optical cavities and plasmonic resonators' " by E. A. Muljarov and W. Langbein. Based entirely on information already contained in our original article [P. T. Kristensen, R.-C. Ge, and S. Hughes, Phys. Rev. A 92, 053810 (2015), 10.1103/PhysRevA.92.053810], we dismiss every point of criticism as being unsupported and point out how important parts of our argumentation appear to have been overlooked by the Comment authors. In addition, we provide additional calculations showing directly the connection between the normalizations by Sauvan et al. and Muljarov et al., which were not included in our original article.

  6. Local vibration of an elastic plate and zero-group velocity Lamb modes.

    Science.gov (United States)

    Prada, Claire; Clorennec, Dominique; Royer, Daniel

    2008-07-01

    Elastic plates or cylinders can support guided modes with zero group velocity (ZGV) at a nonzero value of the wave number. Using laser-based ultrasonic techniques, we experimentally investigate some fascinating properties of these ZGV modes: resonance and ringing effects, backward wave propagation, interference between backward and forward modes. Then, the conditions required for the existence of ZGV Lamb modes in isotropic plates are discussed. It is shown that these modes appear in a range of Poisson's ratio about the value for which the cutoff frequency curves of modes belonging to the same family intercept, i.e., for a bulk wave velocity ratio equal to a rational number. An interpretation of this phenomenon in terms of a strong repulsion between a pair of modes having a different parity in the vicinity of the cutoff frequencies is given. Experiments performed with materials of various Poisson's ratio demonstrate that the resonance spectrum of an unloaded elastic plate, locally excited by a laser pulse, is dominated by the ZGV Lamb modes.

  7. The normal mode analysis shape detection method for automated shape determination of lung nodules.

    Science.gov (United States)

    Stember, Joseph N

    2015-04-01

    Surface morphology and shape in general are important predictors for the behavior of solid-type lung nodules detected on CT. More broadly, shape analysis is useful in many areas of computer-aided diagnosis and essentially all scientific and engineering disciplines. Automated methods for shape detection have all previously, to the author's knowledge, relied on some sort of geometric measure. I introduce Normal Mode Analysis Shape Detection (NMA-SD), an approach that measures shape indirectly via the motion it would undergo if one imagined the shape to be a pseudomolecule. NMA-SD allows users to visualize internal movements in the imaging object and thereby develop an intuition for which motions are important, and which geometric features give rise to them. This can guide the identification of appropriate classification features to distinguish among classes of interest. I employ normal mode analysis (NMA) to animate pseudomolecules representing simulated lung nodules. Doing so, I am able to assign a testing set of nodules into the classes circular, elliptical, and irregular with roughly 97 % accuracy. This represents a proof-of-principle that one can obtain shape information by treating voxels as pseudoatoms in a pseudomolecule, and analyzing the pseudomolecule's predicted motion.

  8. Hair reduction using a new intense pulsed light irradiator and a normal mode ruby laser.

    Science.gov (United States)

    Bjerring, P; Cramers, M; Egekvist, H; Christiansen, K; Troilius, A

    2000-06-01

    The main purpose of this clinical study was to compare the effectiveness of an intense pulsed light irradiator system (IPL) and a normal mode ruby laser for hair removal. Thirty-one patients were treated 3 times with a new IPL system on one side of the chin and neck and with a normal mode ruby laser on the other side. After 6 months, nine of the patients received 3 additional IPL treatments and 11 patients received 3 additional ruby laser treatments. All treatment intervals were 2 months. Hair reduction was measured by hair counts on close-up photographs. Hair reduction was obtained by 93.5% of the patients after 3 IPL treatments and by 54.8% after 3 ruby laser treatments. The average hair count was reduced by 49.3% after IPL treatments and by 21.3% after ruby laser treatments. Three additional IPL treatments following 3 IPL treatments resulted in only 6.6% further hair reduction--in total 55.9%, whereas 3 IPL treatments following 3 ruby laser treatments resulted in an additional 35.5% hair reduction--in total 56.8%. The IPL was found to be 3.94 times more effective than the ruby laser for hair removal. In the chin and neck region, more than 3 treatments with the IPL did not improve the therapeutic result significantly.

  9. Analytical description of quasi-normal mode in resonant plasmonic nano cavities

    Science.gov (United States)

    Yang, Fan; Liu, Haitao; Jia, Hongwei; Zhong, Ying

    2016-03-01

    We propose an analytical model of quasi-normal mode (QNM) for resonant plasmonic nano cavities formed by sub wavelength grooves in metallic substrate. The QNM has shown great advantages in understanding and calculating the frequency response of resonant nano-structures. With our model we show that the QNM originates from a resonance of the fundamental mode in every individual groove and its interaction via surface waves. Analytical expression for the complex eigenfrequency as well as the field distribution of the QNM can be derived from the model. With the analytical model and a few assumptions on the scattered field, the legitimacy of the expansion of scattered field with QNMs under external illuminations is justified with the Mittag-Leffler's theorem of meromorphic function. The expansion coefficients of QNMs are analytically expressed with a finite set of elementary scattering coefficients, which avoids the calculation of the mode volume of QNMs that have a spatial divergence at infinity. The model clarifies the physical origin of QNMs and drastically reduces the computational load of QNMs, especially for a large ensemble of grooves for which brute-force numerical tools are not available. The validity of the proposed model is tested against fully vectorial numerical results.

  10. Sensing Performance Analysis on Quartz Tuning Fork-Probe at the High Order Vibration Mode for Multi-Frequency Scanning Probe Microscopy

    Directory of Open Access Journals (Sweden)

    Xiaofei Zhang

    2018-01-01

    Full Text Available Multi-frequency scanning near-field optical microscopy, based on a quartz tuning fork-probe (QTF-p sensor using the first two orders of in-plane bending symmetrical vibration modes, has recently been developed. This method can simultaneously achieve positional feedback (based on the 1st in-plane mode called the low mode and detect near-field optically induced forces (based on the 2nd in-plane mode called the high mode. Particularly, the high mode sensing performance of the QTF-p is an important issue for characterizing the tip-sample interactions and achieving higher resolution microscopic imaging but the related researches are insufficient. Here, we investigate the vibration performance of QTF-p at high mode based on the experiment and finite element method. The frequency spectrum characteristics are obtained by our homemade laser Doppler vibrometer system. The effects of the properties of the connecting glue layer and the probe features on the dynamic response of the QTF-p sensor at the high mode are investigated for optimization design. Finally, compared with the low mode, an obvious improvement of quality factor, of almost 50%, is obtained at the high mode. Meanwhile, the QTF-p sensor has a high force sensing sensitivity and a large sensing range at the high mode, indicating a broad application prospect for force sensing.

  11. Sensing Performance Analysis on Quartz Tuning Fork-Probe at the High Order Vibration Mode for Multi-Frequency Scanning Probe Microscopy.

    Science.gov (United States)

    Zhang, Xiaofei; Gao, Fengli; Li, Xide

    2018-01-24

    Multi-frequency scanning near-field optical microscopy, based on a quartz tuning fork-probe (QTF-p) sensor using the first two orders of in-plane bending symmetrical vibration modes, has recently been developed. This method can simultaneously achieve positional feedback (based on the 1st in-plane mode called the low mode) and detect near-field optically induced forces (based on the 2nd in-plane mode called the high mode). Particularly, the high mode sensing performance of the QTF-p is an important issue for characterizing the tip-sample interactions and achieving higher resolution microscopic imaging but the related researches are insufficient. Here, we investigate the vibration performance of QTF-p at high mode based on the experiment and finite element method. The frequency spectrum characteristics are obtained by our homemade laser Doppler vibrometer system. The effects of the properties of the connecting glue layer and the probe features on the dynamic response of the QTF-p sensor at the high mode are investigated for optimization design. Finally, compared with the low mode, an obvious improvement of quality factor, of almost 50%, is obtained at the high mode. Meanwhile, the QTF-p sensor has a high force sensing sensitivity and a large sensing range at the high mode, indicating a broad application prospect for force sensing.

  12. Blade Vibration Measurement System for Characterization of Closely Spaced Modes and Mistuning Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The Phase I project successfully demonstrated that the advanced non-contacting stress measurement system (NSMS) was able to address closely spaced modes and...

  13. A Normal-Mode Analysis of Rapid Teleconnections in a Numerical Weather Prediction Model. Part 1, Global Aspects

    Science.gov (United States)

    1992-12-01

    mean 300-mb geopotential-heighi field lbr Ohe control run. Th,: contour interval is 120 m investigators (Errico 1990, personal communication ). I...determination of simple basic state used to derive the normal modes can normal modes of the NCAR community climate model. NCAR be a complicating... Japon Kwizak. M.. and A. J. Robert, 1971: A semi-implicit scheme for grid Ser. 2, 44, 237-245. point atmospheric models of the primitive equations, Mon

  14. Amyloid plaques disrupt resting state default mode network connectivity in cognitively normal elderly.

    Science.gov (United States)

    Sheline, Yvette I; Raichle, Marcus E; Snyder, Abraham Z; Morris, John C; Head, Denise; Wang, Suzhi; Mintun, Mark A

    2010-03-15

    Important functional connections within the default mode network (DMN) are disrupted in Alzheimer's disease (AD), likely from amyloid-beta (Abeta) plaque-associated neuronal toxicity. Here, we sought to determine if pathological effects of Abeta amyloid plaques could be seen, even in the absence of a task, by examining functional connectivity in cognitively normal participants with and without preclinical amyloid deposition. Participants with Alzheimer's disease (AD) (n = 35) were compared with 68 cognitively normal participants who were further subdivided by positron emission tomography (PET) Pittsburgh Compound-B (PIB) imaging into those without evidence of brain amyloid (PIB-) and those with brain amyloid (PIB+) deposition. Resting state functional magnetic resonance imaging (fMRI) demonstrated that, compared with the PIB- group, the PIB+ group differed significantly in functional connectivity of the precuneus to hippocampus, parahippocampus, anterior cingulate, dorsal cingulate, gyrus rectus, superior precuneus, and visual cortex. These differences were in the same regions and in the same direction as differences found in the AD group. Thus, before any manifestations of cognitive or behavioral changes, there were differences in resting state connectivity in cognitively normal subjects with brain amyloid deposition, suggesting that early manifestation of Abeta toxicity can be detected using resting state fMRI. Copyright 2010 Society of Biological Psychiatry. Published by Elsevier Inc. All rights reserved.

  15. Vibrational spectroscopy of resveratrol

    Science.gov (United States)

    Billes, Ferenc; Mohammed-Ziegler, Ildikó; Mikosch, Hans; Tyihák, Ernő

    2007-11-01

    In this article the authors deal with the experimental and theoretical interpretation of the vibrational spectra of trans-resveratrol (3,5,4'-trihydroxy- trans-stilbene) of diverse beneficial biological activity. Infrared and Raman spectra of the compound were recorded; density functional calculations were carried out resulting in the optimized geometry and several properties of the molecule. Based on the calculated force constants, a normal coordinate analysis yielded the character of the vibrational modes and the assignment of the measured spectral bands.

  16. Simple illustrations of range-dependence and 3-D effects by normal-mode sound propagation modelling

    CERN Document Server

    Ivansson, Sven

    2016-01-01

    As is well known, the sound-speed profile has significant effects on underwater acoustic sound propagation. These effects can be quantified by normal-mode models, for example. The basic case is a laterally homogeneous medium, for which the sound speed and the density depend on depth only and not on horizontal position. Effects of horizontal medium-parameter variation can be quantified by coupled-mode models, with coupling between mode expansions for laterally homogeneous parts of the medium. In the present paper, these effects are illustrated for media with a particularly simple horizontal parameter variation such that mode shapes do not vary with horizontal position. The modal wavenumbers depend on horizontal position, however. At a vertical interface between regions with laterally homogeneous medium parameters, each mode is reflected as well as transmitted. For the media considered, reflection and transmission coefficients can be computed separately for each mode without mode coupling, and this is done recu...

  17. Non-stationary random vibration analysis of structures under multiple correlated normal random excitations

    Science.gov (United States)

    Li, Yanbin; Mulani, Sameer B.; Kapania, Rakesh K.; Fei, Qingguo; Wu, Shaoqing

    2017-07-01

    An algorithm that integrates Karhunen-Loeve expansion (KLE) and the finite element method (FEM) is proposed to perform non-stationary random vibration analysis of structures under excitations, represented by multiple random processes that are correlated in both time and spatial domains. In KLE, the auto-covariance functions of random excitations are discretized using orthogonal basis functions. The KLE for multiple correlated random excitations relies on expansions in terms of correlated sets of random variables reflecting the cross-covariance of the random processes. During the response calculations, the eigenfunctions of KLE used to represent excitations are applied as forcing functions to the structure. The proposed algorithm is applied to a 2DOF system, a 2D cantilever beam and a 3D aircraft wing under both stationary and non-stationary correlated random excitations. Two methods are adopted to obtain the structural responses: a) the modal method and b) the direct method. Both the methods provide the statistics of the dynamic response with sufficient accuracy. The structural responses under the same type of correlated random excitations are bounded by the response obtained by perfectly correlated and uncorrelated random excitations. The structural response increases with a decrease in the correlation length and with an increase in the correlation magnitude. The proposed methodology can be applied for the analysis of any complex structure under any type of random excitation.

  18. PIDOTIMOD, a new immunostimulating dipeptide, studied by molecular mechanics, normal mode analysis and dynamics calculations

    Science.gov (United States)

    Villani, Vincenzo; Pucciariello, Rachele; Crimella, Tiziano; Stradi, Riccardo

    1993-10-01

    A theoretical study of PIDOTIMOD, a new immunostimulating dipeptide, using a combination of molecular mechanics, normal mode analysis and dynamics methods, has been carried out. The results have been compared with the experimental ones obtained using NMR spectroscopy. Conformational calculations and NMR spectra identify two classes of conformers, trans and cis, around the peptide bond between the rings, with relative conformational populations of 0.55 and 0.45, respectively. The best agreement is obtained using a dielectric constant ɛ = 7 in the calculations. The conformational features show that the path connecting the trans and the cis forms may involve the rotation of the bridged peptide bond alone. From a dynamic point of view the conformers appear rather rigid, and only the oxo-prolyl ring and the carboxyl group show significant rigid body-like motions. Interesting correlations occur in the fluctuations of the torsion angles.

  19. Normal Mode Flexible Fitting of High-Resolution Structures of Biological Molecules Toward SAXS Data

    Directory of Open Access Journals (Sweden)

    Christian Gorba

    2010-06-01

    Full Text Available We present a method to reconstruct a three-dimensional protein structure from an atomic pair distribution function derived from the scattering intensity profile from SAXS data by flexibly fitting known x-ray structures. This method uses a linear combination of low-frequency normal modes from an elastic network description of the molecule in an iterative manner to deform the structure to conform optimally to the target pair distribution function derived from SAXS data. For computational efficiency, the protein and water molecules included in the protein first hydration shell are coarse-grained. In this paper, we demonstrate the validity of our coarse- graining approach to study SAXS data. Illustrative results of our flexible fitting studies on simulated SAXS data from five different proteins are presented.

  20. Dynamics and instantaneous normal modes in a liquid with density anomalies.

    Science.gov (United States)

    Ciamarra, M P; Sollich, P

    2015-05-20

    We investigate the relation between the dynamical features of a supercooled liquid and those of its potential energy landscape, focusing on a model liquid with density anomalies. We consider, at fixed temperature, pairs of state points with different density but the same diffusion constant and find that surprisingly they have identical dynamical features at all length and time scales. This is shown by the collapse of their mean square displacements and of their self-intermediate scattering functions at different wavevectors. We then investigate how the features of the energy landscape change with density and establish that state points with equal diffusion constant have different landscapes. In particular, we find a correlation between the fraction of instantaneous normal modes connecting different energy minima and the diffusion constant, but unlike in other systems these two quantities are not in one-to-one correspondence with each other, showing that additional landscape features must be relevant in determining the diffusion constant.

  1. 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.

  2. Thermal transport and quasi-normal modes in Gauss–Bonnet-axions theory

    Directory of Open Access Journals (Sweden)

    Xiao-Mei Kuang

    2017-07-01

    Full Text Available We obtain the black brane solution in arbitrary dimensional Gauss–Bonnet-axions (GBA gravity theory. And then the thermal conductivity of the boundary theory dual to this neutral black brane is explored. We find that the momentum dissipation suppresses the DC thermal conductivity while it is enhanced by larger GB parameter. The analytical and numerical results of DC thermal conductivity match very well. Also we study the effect of the momentum dissipation and the GB coupling on the AC thermal conductivity and fit the results by Drude-like behavior for low frequency. Finally, we analytical compute the quasi-normal modes (QNM frequency of the perturbative master field in large dimensions limit. Our analytical QNM frequencies agree well with the numerical results in large enough finite dimensions.

  3. Analysis of normal and epileptic seizure EEG signals using empirical mode decomposition.

    Science.gov (United States)

    Pachori, Ram Bilas; Bajaj, Varun

    2011-12-01

    Epilepsy is one of the most common neurological disorders characterized by transient and unexpected electrical disturbance of the brain. The electroencephalogram (EEG) is an invaluable measurement for the purpose of assessing brain activities, containing information relating to the different physiological states of the brain. It is a very effective tool for understanding the complex dynamical behavior of the brain. This paper presents the application of empirical mode decomposition (EMD) for analysis of EEG signals. The EMD decomposes a EEG signal into a finite set of bandlimited signals termed intrinsic mode functions (IMFs). The Hilbert transformation of IMFs provides analytic signal representation of IMFs. The area measured from the trace of the analytic IMFs, which have circular form in the complex plane, has been used as a feature in order to discriminate normal EEG signals from the epileptic seizure EEG signals. It has been shown that the area measure of the IMFs has given good discrimination performance. Simulation results illustrate the effectiveness of the proposed method. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

  4. Notch strengthening or weakening governed by transition of shear failure to normal mode fracture.

    Science.gov (United States)

    Lei, Xianqi; Li, Congling; Shi, Xinghua; Xu, Xianghong; Wei, Yujie

    2015-05-29

    It is generally observed that the existence of geometrical discontinuity like notches in materials will lead to strength weakening, as a resultant of local stress concentration. By comparing the influence of notches to the strength of three typical materials, aluminum alloys with intermediate tensile ductility, metallic glasses with no tensile ductility, and brittle ceramics, we observed strengthening in aluminum alloys and metallic glasses: Tensile strength of the net section in circumferentially notched cylinders increases with the constraint quantified by the ratio of notch depth over notch root radius; in contrast, the ceramic exhibit notch weakening. The strengthening in the former two is due to resultant deformation transition: Shear failure occurs in intact samples while samples with deep notches break in normal mode fracture. No such deformation transition was observed in the ceramic, and stress concentration leads to its notch weakening. The experimental results are confirmed by theoretical analyses and numerical simulation. The results reported here suggest that the conventional criterion to use brittleness and/or ductility to differentiate notch strengthening or weakening is not physically sound. Notch strengthening or weakening relies on the existence of failure mode transition and materials exhibiting shear failure while subjected to tension will notch strengthen.

  5. Finite element normal mode analysis of resistance welding jointed of dissimilar plate hat structure

    Science.gov (United States)

    Nazri, N. A.; Sani, M. S. M.

    2017-10-01

    Structural joints offer connection between structural element (beam, plate, solid etc.) in order to build a whole assembled structure. The complex behaviour of connecting elements plays a valuable role in characteristics of dynamic such as natural frequencies and mode shapes. In automotive structures, the trustworthiness arrangement of the structure extremely depends on joints. In this paper, top hat structure is modelled and designed with spot welding joint using dissimilar materials which is mild steel 1010 and stainless steel 304, using finite element software. Different types of connector elements such as rigid body element (RBE2), welding joint element (CWELD), and bar element (CBAR) are applied to represent real connection between two dissimilar plates. Normal mode analysis is simulated with different types of joining element in order to determine modal properties. Natural frequencies using RBE2, CBAR and CWELD are compared to equivalent rigid body method. Connection that gives the lowest percentage error among these three will be selected as the most reliable joining for resistance spot weld. From the analysis, it is shown that CWELD is better compared to others in term of weld joining among dissimilar plate materials. It is expected that joint modelling of finite element plays significant role in structural dynamics.

  6. 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

  7. Observation of a universal donor-dependent vibrational mode in graphene.

    Science.gov (United States)

    Fedorov, A V; Verbitskiy, N I; Haberer, D; Struzzi, C; Petaccia, L; Usachov, D; Vilkov, O Y; Vyalikh, D V; Fink, J; Knupfer, M; Büchner, B; Grüneis, A

    2014-01-01

    Electron-phonon coupling and the emergence of superconductivity in intercalated graphite have been studied extensively. Yet, phonon-mediated superconductivity has never been observed in the 2D equivalent of these materials, doped monolayer graphene. Here we perform angle-resolved photoemission spectroscopy to try to find an electron donor for graphene that is capable of inducing strong electron-phonon coupling and superconductivity. We examine the electron donor species Cs, Rb, K, Na, Li, Ca and for each we determine the full electronic band structure, the Eliashberg function and the superconducting critical temperature Tc from the spectral function. An unexpected low-energy peak appears for all dopants with an energy and intensity that depend on the dopant atom. We show that this peak is the result of a dopant-related vibration. The low energy and high intensity of this peak are crucially important for achieving superconductivity, with Ca being the most promising candidate for realizing superconductivity in graphene.

  8. Investigation of polyvinylidene fluoride (PVDF) films in identifying high-frequency vibration modes of flexible plates.

    Science.gov (United States)

    Chuang, Kuo-Chih; Liou, Hong-Cin; Ma, Chien-Ching

    2014-06-01

    Compared with piezoelectric ceramics such as lead zirconate titanate (PZT) ceramics, the low density and high compliance of the PVDF films make them a more suitable choice in modal testing, especially for detecting high-frequency modes in flexible or inflatable structures. In this work, dynamic sensing performances of PVDF films for flexible structures in modal testing are examined, with considerations including the repeatability of the impact source, the accuracy of the sensing responses, and the influences of the nodal lines on the frequency spectra of the transient responses. Two flexible plates with different boundary conditions and thickness are considered. Experimental results, compared with FEM computations or theoretical predictions, demonstrate the excellent dynamic sensing performance of the PVDF film in modal testing applications, especially for identification of high-frequency modes on flexible structures.

  9. Vibration suppression in flexible structures via the sliding-mode control approach

    Science.gov (United States)

    Drakunov, S.; Oezguener, Uemit

    1994-01-01

    Sliding mode control became very popular recently because it makes the closed loop system highly insensitive to external disturbances and parameter variations. Sliding algorithms for flexible structures have been used previously, but these were based on finite-dimensional models. An extension of this approach for differential-difference systems is obtained. That makes if possible to apply sliding-mode control algorithms to the variety of nondispersive flexible structures which can be described as differential-difference systems. The main idea of using this technique for dispersive structures is to reduce the order of the controlled part of the system by applying an integral transformation. We can say that transformation 'absorbs' the dispersive properties of the flexible structure as the controlled part becomes dispersive.

  10. Nonlinear vibration analysis of axially moving strings based on gyroscopic modes decoupling

    Science.gov (United States)

    Yang, Xiao-Dong; Wu, Hang; Qian, Ying-Jing; Zhang, Wei; Lim, C. W.

    2017-04-01

    A novel idea that applies the multiple scale analysis to a discretized decoupled system of gyroscopic continua is introduced and an axial moving string is treated as an example. First, the invariant manifold method is applied to the discretized ordinary differential equations of the axially moving string. Complex gyroscopic mode functions that agree well with true analytical results are obtained. The gyroscopic modes are subsequently used for the discretized ordinary differential equations with gyroscopic and nonlinear coupling terms that yield a gyroscopically decoupled system. Further the method of multiple scales is used to obtain the equations at a slow scale. This novel procedure is compared to solutions obtained by directly applying the classical multiple scale analysis to the gyroscopically coupled system without decoupling. The modal decoupled system analysis yields better frequency with comparing to the classic method. The proposed methodology provides a novel alternative for nonlinear dynamic analysis of gyroscopic continua.

  11. The molecular structure, geometry, stability, thermal and fundamental modes of vibration of glycine dimer by DFT methods.

    Science.gov (United States)

    Kishor Kumar, J; Gunasekaran, S; Loganathan, S; Anand, G; Kumaresan, S

    2013-11-01

    Glycine is an important amino acid for building up protein synthesis. Single crystal of glycine dimer was grown from aqueous solution by slow evaporation method. Powder X-ray diffraction analysis confirms the crystalline nature of grown crystal. It is interesting to study the molecular structure of a dimer, having well-defined channels formed through amphoterism bonding between CO⋯H bonds with split-valence basis sets, and the conformer is mirror symmetrical, in which the protonated organic cation plays a significant role to have a dimer pattern. Amphiprotic molecules, like dimeric glycine which can either donate or accept a proton (H(+)) from each other. Optical absorption study reveals that the transparency of the crystal in the entire visible region and the cutoff wavelength was found to be 235nm. Powder SHG test and thermogravimetric analysis shows glycine dimer crystal is optically active and thermally stable. The molecular structure, geometry, stability and theoretical vibrational spectra were calculated for glycine as a monomer and as a dimer linked by the amphoterism hydrogen bonding. The theoretical studies were performed using the B3LYP density functional method with the 6-311G (d,p) basis set. The detailed interpretation of the vibrational spectra has been made on the basis of normal coordinate analysis. Copyright © 2013 Elsevier B.V. All rights reserved.

  12. Analytical aspects of Randomdec analysis. [for vibration modes and nondestructive flaw detection

    Science.gov (United States)

    Reed, R. E.

    1979-01-01

    Relationships between Randomdec analysis and conventional methods of analysis such as Fourier and modal analysis are shown. The Randomdec signature is described in terms of the Fourier amplitude coefficients. Using this result, the effect of filtering the time history is shown. For a linear, two mode model, signatures are compared to the free response of the system subjected to different initial conditions to show the relationship of displacement and acceleration signatures to the physical system. Detection and location of flaws is also discussed.

  13. Residual mode correction in calibrating nonlinear damper for vibration control of flexible structures

    Science.gov (United States)

    Sun, Limin; Chen, Lin

    2017-10-01

    Residual mode correction is found crucial in calibrating linear resonant absorbers for flexible structures. The classic modal representation augmented with stiffness and inertia correction terms accounting for non-resonant modes improves the calibration accuracy and meanwhile avoids complex modal analysis of the full system. This paper explores the augmented modal representation in calibrating control devices with nonlinearity, by studying a taut cable attached with a general viscous damper and its Equivalent Dynamic Systems (EDSs), i.e. the augmented modal representations connected to the same damper. As nonlinearity is concerned, Frequency Response Functions (FRFs) of the EDSs are investigated in detail for parameter calibration, using the harmonic balance method in combination with numerical continuation. The FRFs of the EDSs and corresponding calibration results are then compared with those of the full system documented in the literature for varied structural modes, damper locations and nonlinearity. General agreement is found and in particular the EDS with both stiffness and inertia corrections (quasi-dynamic correction) performs best among available approximate methods. This indicates that the augmented modal representation although derived from linear cases is applicable to a relatively wide range of damper nonlinearity. Calibration of nonlinear devices by this means still requires numerical analysis while the efficiency is largely improved owing to the system order reduction.

  14. Intermolecular vibrational modes and H-bond interactions in crystalline urea investigated by terahertz spectroscopy and theoretical calculation

    Science.gov (United States)

    Zhao, Yonghong; Li, Zhi; Liu, Jianjun; Hu, Cong; Zhang, Huo; Qin, Binyi; Wu, Yifang

    2018-01-01

    The characteristic absorption spectra of crystalline urea in 0.6-1.8 THz region have been measured by terahertz time-domain spectroscopy at room temperature experimentally. Five broad absorption peaks were observed at 0.69, 1.08, 1.27, 1.47 and 1.64 THz respectively. Moreover, density functional theory (DFT) calculation has been performed for the isolated urea molecule, and there is no infrared intensity in the region below 1.8 THz. This means that single molecule calculations are failure to predict the experimental spectra of urea crystals. To simulate these spectra, calculations on a cluster of seven urea molecules using M06-2X and B3LYP-D3 are performed, and we found that M06-2X perform better. The observed THz vibrational modes are assigned to bending and torsional modes related to the intermolecular H-bond interactions with the help of potential energy distribution (PED) method. Using the reduced-density-gradient (RDG) analysis, the positions and types of intermolecular H-bond interactions in urea crystals are visualized. Therefore, we can confirm that terahertz spectroscopy can be used as an effective means to detect intermolecular H-bond interactions in molecular crystals.

  15. Charge-sensitive vibrational modes in the (EDT-TTF-OX)2AsF6 chiral molecular conductors

    Science.gov (United States)

    Olejniczak, Iwona; Frąckowiak, Arkadiusz; Matysiak, Jacek; Madalan, Augustin; Pop, Flavia; Avarvari, Narcis

    2014-03-01

    Infrared and Raman spectra of three chiral molecular conductors (EDT-TTF-OX)2AsF6, comprising of two salts based on enantiopure EDT-TTF-OX donor molecules and one based on their racemic mixture, have been measured as a function of temperature. In the frequency range of the C=C stretching vibrations of EDT-TTF-OX, charge-sensitive modes are identified based on theoretical calculations for neutral and oxidized EDT-TTF-OX using density functional theory (DFT) methods. The positions of C=C stretching modes in both Raman and infrared spectra of the (EDT-TTF-OX)2AsF6 materials are analyzed assuming a linear relationship between the frequency and charge of the molecule. The charge density on the EDTTTF-OX donor molecule is estimated to be +0.5 in all investigated materials and does not change with temperature. Therefore we suggest, that M-I transition observed in (EDT-TTF-OX)2AsF6 chiral molecular conductors at low temperature is not related to the charge ordering mechanism.

  16. Full-Dimensional Franck-Condon Factors in the Harmonic Normal Mode Basis for the tilde{A} ^1A_u--tilde{X} ^1Σ_g^+ Transition of Acetylene

    Science.gov (United States)

    Park, Barratt; Field, Robert W.

    2014-06-01

    Methods developed by J. K. G. Watson for calculation of Franck-Condon Factors in systems undergoing linear leftrightarrow bent electronic transitions in the harmonic normal mode basis have been extended to the acetylene tilde{A} ^1A_u--tilde{X} ^1Σ_g^+ transition in full dimension. Because the intensity of the overlap accumulates away from linear geometry, the Hamiltonian of the linear tilde{X} state may be approximately separated into 3 rotations and 3N-6 vibrations, resulting in a one-to-one correspondence between the normal modes in the linear and bent geometries. The calculated results reproduce experimental intensities quantitatively only at low quanta of vibrational excitation due to the exclusion of anharmonic effects. However, the qualitative results explain a number of observations that were previously not understood. A change of basis to local bending modes of the tilde{X} state has been performed to investigate Franck-Condon access to zero order bright states with extreme local bend excitation. These states are known to emerge above 12 quanta of bend excitation and are of interest because the local bending mode lies along the reaction coordinate in the acetylene rightleftharpoons vinylidene isomerization. The results indicate that the best strategy for reaching extreme local benders involves Stimulated Emission Pumping from tilde{A}-state levels with high excitation in ν_3' and ν_4', contrary to existing semi-classical arguments that ν_6' grants the best access to local bend states.

  17. Zero, normal and super-radiant modes for scalar and spinor fields in Kerr–anti de Sitter spacetime

    Science.gov (United States)

    Kenmoku, Masakatsu; Cho, Yongmin; Shigemoto, Kazuyasu; Yoon, Jong Hyuk

    2017-11-01

    We study zero and normal modes for scalar and spinor fields in Kerr–anti de Sitter spacetime as a bound state problem with Dirichlet and Neumann boundary conditions. Zero mode is defined as its momentum near the horizon to be zero: p_H=ω-Ω_Hm=0 , and is shown not to exist as a physical state for both scalar and spinor fields. Physical normal modes must satisfy the spectrum condition p_H>0 as results of (i) non-existence of zero mode and (ii) the analyticity with respect to the rotation parameter of Kerr–anti de Sitter spacetime. Under the spectrum condition, the super-radiant modes are shown to be type 2 super-radiance, which is characterized by negative frequency ω0 . The type 2 super-radiant modes are necessary for the completeness relation of normal modes and are stable. Applying the spectrum condition to black hole thermodynamics, the brick wall model is shown to be well-defined.

  18. Oversampling in virtual visual sensors as a means to recover higher modes of vibration

    Science.gov (United States)

    Shariati, Ali; Schumacher, Thomas

    2015-03-01

    Vibration-based structural health monitoring (SHM) techniques require modal information from the monitored structure in order to estimate the location and severity of damage. Natural frequencies also provide useful information to calibrate finite element models. There are several types of physical sensors that can measure the response over a range of frequencies. For most of those sensors however, accessibility, limitation of measurement points, wiring, and high system cost represent major challenges. Recent optical sensing approaches offer advantages such as easy access to visible areas, distributed sensing capabilities, and comparatively inexpensive data recording while having no wiring issues. In this research we propose a novel methodology to measure natural frequencies of structures using digital video cameras based on virtual visual sensors (VVS). In our initial study where we worked with commercially available inexpensive digital video cameras we found that for multiple degrees of freedom systems it is difficult to detect all of the natural frequencies simultaneously due to low quantization resolution. In this study we show how oversampling enabled by the use of high-end high-frame-rate video cameras enable recovering all of the three natural frequencies from a three story lab-scale structure.

  19. 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)

  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. 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.

  2. 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.

  3. Elliptically polarised normal modes under conditions of nonstationary electromagnetically induced transparency

    Science.gov (United States)

    Parshkov, O. M.

    2017-11-01

    We report the results of numerical simulation of the evolution of a weak elliptically polarised input probe pulse in the case of electromagnetically induced transparency in the field of elliptically polarised control light. It is shown that the electric field strength of any input probe pulse can be represented as a sum of the electric field strengths of two subpulses whose polarisation ellipses have the same constant eccentricities and mutually perpendicular directions of the major axes, one of these axes being parallel to the major axis of the polarisation ellipse of the control light. The directions of rotation of the electric field strength vectors of subpulses are mutually opposite. Subpulses move with different velocities in a medium, which leads to their spatial separation. In the propagation of subpulses, their polarisation characteristics (eccentricities and directions of major axes of polarisation ellipses) remain unchanged. At any stage of evolution, including the instants of significant spatial overlapping of subpulses, the intensity of the probe light in the medium is the sum of their intensities. Consequently, these subpulses are nonstationary mutually orthogonal elliptically polarised normal modes of the probe field whose existence is related to the medium anisotropy caused by the control field. The simulation is carried out for a scheme of degenerate quantum transitions between 3P0, 3P10 and 3P2 levels of the 208Pb isotope, taking into account the Doppler broadening of the spectral lines under the assumption that the probe field has a higher frequency than the control field.

  4. The Theoretical Foundation of 3D Alfvén Resonances: Normal Modes

    Science.gov (United States)

    Wright, Andrew N.; Elsden, Thomas

    2016-12-01

    We consider the resonant coupling of fast and Alfvén magnetohydrodynamic (MHD) waves in a 3D equilibrium. Numerical solutions to normal modes (\\propto \\exp (-iω t)) are presented, along with a theoretical framework to interpret them. The solutions we find are fundamentally different from those in 1D and 2D. In 3D there exists an infinite number of possible resonant solutions within a “Resonant Zone,” and we show how boundary conditions and locally 2D regions can favor particular solutions. A unique feature of the resonance in 3D is switching between different permissible solutions when the boundary of the Resonant Zone is encountered. The theoretical foundation that we develop relies upon recognizing that, in 3D, the orientation of the resonant surface will not align in a simple fashion with an equilibrium coordinate. We present a method for generating the Alfvén wave natural frequencies for an arbitrarily oriented Alfvén wave, which requires a careful treatment of scale factors describing the background magnetic field geometry.

  5. Characterizing structure connectivity correlation with the default mode network in Alzheimer's patients and normal controls

    Science.gov (United States)

    Guo, Jia; Xu, Peng; Song, Chao; Yao, Li; Zhao, Xiaojie

    2012-03-01

    Magnetic resonance diffusion tensor imaging (DTI) is a kind of effective measure to do non-invasive investigation on brain fiber structure at present. Studies of fiber tracking based on DTI showed that there was structural connection of white matter fiber among the nodes of resting-state functional network, denoting that the connection of white matter was the basis of gray matter regions in functional network. Nevertheless, relationship between these structure connectivity regions and functional network has not been clearly indicated. Moreover, research of fMRI found that activation of default mode network (DMN) in Alzheimer's disease (AD) was significantly descended, especially in hippocampus and posterior cingulated cortex (PCC). The relationship between this change of DMN activity and structural connection among functional networks needs further research. In this study, fast marching tractography (FMT) algorithm was adopted to quantitative calculate fiber connectivity value between regions, and hippocampus and PCC which were two important regions in DMN related with AD were selected to compute white matter connection region between them in elderly normal control (NC) and AD patient. The fiber connectivity value was extracted to do the correlation analysis with activity intensity of DMN. Results showed that, between PCC and hippocampus of NC, there exited region with significant high connectivity value of white matter fiber whose performance has relatively strong correlation with the activity of DMN, while there was no significant white matter connection region between them for AD patient which might be related with reduced network activation in these two regions of AD.

  6. Analyzing the vibrational response of an AFM cantilever in liquid with the consideration of tip mass by comparing the hydrodynamic and contact repulsive force models in higher modes

    Science.gov (United States)

    Korayem, Moharam Habibnejad; Nahavandi, Amir

    2017-04-01

    This paper investigates the vibration of a tapping-mode Atomic Force Microscope (AFM) cantilever covered with two whole piezoelectric layers in a liquid medium. The authors of this article have already modeled the vibration of a cantilever immersed in liquid over rough surfaces. Five new ideas have been considered for improving the results of the previous work. Mass and damping of a cantilever probe tip have been considered. Since the probe tip of an AFM cantilever has a mass, which can itself affect the natural frequency of vibration, the significance of this mass has been explored. Also, two hydrodynamic force models for analyzing the mass and damping added to a cantilever in liquid medium have been evaluated. In modeling the vibration of a cantilever in liquid, simplifications are made to the theoretical equations used in the modeling, which may make the obtained results different from those in the real case. So, two hydrodynamic force models are introduced and compared with each other. In addition to the already introduced DMT model, the JKR model has been proposed. The forces acting on a probe tip have attractive and repulsive effects. The attractive Van der Waals force can vary depending on the surface smoothness or roughness, and the repulsive contact force, which is independent of the type of surface roughness and usually varies with the hardness or softness of a surface. When the first mode is used in the vibration of an AFM cantilever, the changes of the existing physical parameters in the simulation do not usually produce a significant difference in the response. Thus, three cantilever vibration modes have been investigated. Finally, an analytical approach for obtaining the response of equations is presented which solves the resulting motion equation by the Laplace method and, thus, a time function is obtained for cantilever deflection is determined. Also, using the COMSOL software to model a cantilever in a liquid medium, the computed natural

  7. Calculation of exact vibration modes for plane grillages by the dynamic stiffness method

    Science.gov (United States)

    Hallauer, W. L., Jr.; Liu, R. Y. L.

    1982-01-01

    A dynamic stiffness method is developed for the calculation of the exact modal parameters for plane grillages which consist of straight and uniform beams with coincident elastic and inertial axes. Elementary bending-torsion beam theory is utilized, and bending translation is restricted to one direction. The exact bending-torsion dynamic stiffness matrix is obtained for a straight and uniform beam element with coincident elastic and inertial axes. The element stiffness matrices are assembled using the standard procedure of the static stiffness method to form the dynamic stiffness matrix of the complete grillage. The exact natural frequencies, mode shapes, and generalized masses of the grillage are then calculated by solving a nonlinear eigenvalue problem based on the dynamic stiffness matrix. The exact modal solutions for an example grillage are calculated and compared with the approximate solutions obtained by using the finite element method.

  8. 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.

  9. Vibration control of a ship engine system using high-load magnetorheological mounts associated with a new indirect fuzzy sliding mode controller

    Science.gov (United States)

    Phu, Do Xuan; Choi, Seung-Bok

    2015-02-01

    In this work, a new high-load magnetorheological (MR) fluid mount system is devised and applied to control vibration in a ship engine. In the investigation of vibration-control performance, a new modified indirect fuzzy sliding mode controller is formulated and realized. The design of the proposed MR mount is based on the flow mode of MR fluid, and it includes two separated coils for generating a magnetic field. An optimization process is carried out to achieve maximal damping force under certain design constraints, such as the allowable height of the mount. As an actuating smart fluid, a new plate-like iron-particle-based MR fluid is used, instead of the conventional spherical iron-particle-based MR fluid. After evaluating the field-dependent yield stress of the MR fluid, the field-dependent damping force required to control unwanted vibration in the ship engine is determined. Subsequently, an appropriate-sized MR mount is manufactured and its damping characteristics are evaluated. After confirming the sufficient damping force level of the manufactured MR mount, a medium-sized ship engine mount system consisting of eight MR mounts is established, and its dynamic governing equations are derived. A new modified indirect fuzzy sliding mode controller is then formulated and applied to the engine mount system. The displacement and velocity responses show that the unwanted vibrations of the ship engine system can be effectively controlled in both the axial and radial directions by applying the proposed control methodology.

  10. Utilization of normal mode initial conditions for detecting errors in the dynamics part of primitive equation global models

    Science.gov (United States)

    Chao, W. C.; Geller, M. A.

    1982-01-01

    When a global atmospheric basic state has constant angular velocity and its temperature varies with altitude only, there exist normal mode solutions to the linearized global primitive equations. The use of these normal modes, which have known behavior in time, is superior to the use of the Rossby-Haurwitz wave as initial conditions for detecting errors in the dynamics part of primitive equation global models. With these initial conditions, integration through only one time step is sufficient to detect many formulation and coding errors. Other tests are still required for detecting problems of nonlinear instability and conservation of integral properties, however.

  11. Large net-normal dispersion Er-doped fibre laser mode-locked with a nonlinear amplifying loop mirror

    CERN Document Server

    Bowen, Patrick; Broderick, Neil G R

    2016-01-01

    We report on an environmentally stable, all-PM-fibre, Er-doped, mode-locked laser with a central wavelength of 1550 nm. Significantly, the laser possesses large net-normal dispersion such that its dynamics are comparable to that of an all-normal dispersion fibre laser at 1 {\\mu}m with an analogous architecture. The laser is mode-locked with a nonlinear amplifying loop mirror to produce pulses that are externally compressible to 500 fs. Experimental results are in good agreement with numerical simulations.

  12. Configuration of three distributed lines for reducing noise due to the coupling of the common and normal modes

    Science.gov (United States)

    Jinno, Souma; Toki, Hiroshi; Abe, Masayoshi

    2017-02-01

    In this study, the coupling between the common and normal modes in distributed lines and the resulting electromagnetic noise were considered. The telegraph equations of three distributed lines with the boundary conditions of a lumped circuit reveal the presence of mode-coupling noise. To reduce the coupling noise, the geometrically and electrically symmetric configuration of the three distributed lines is proposed. The simulation results show that the proposed configuration can decrease the mode-coupling noise by a factor of 1 ×10-8 in comparison with that of asymmetric configurations.

  13. 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.

  14. 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

  15. The impact of phonation mode and vocal technique on vocal fold closure in young females with normal voice quality.

    Science.gov (United States)

    De Bodt, Marc S; Clement, Gregory; Wuyts, Floris L; Borghs, Cindy; Van Lierde, Kristiane M

    2012-11-01

    Because voice quality depends substantially on vocal fold closure (VFC), voice therapists try to modify VFC by specific voice techniques or adjustments in phonation mode. This study demonstrates the impact of six different phonation modes on VFC in healthy subjects. For this study, 21 female subjects with normal voice quality were selected. The impact of different phonation modes and voice techniques was examined by fiberoptic laryngovideoendoscopy during different modes of phonation: habitual phonation, high pitch, low pitch, resonance on /m/, Coblenzer's "abspannen," and chant talk. The video recordings were judged by three experienced professionals (two Speech and Language Pathologist and one laryngologist) by means of a visual analog scale. Statistical analysis showed that only resonance on /m/ significantly improved VFC compared with habitual phonation. All other phonation modes and techniques, except low-pitched phonation, led to a significant worse closure in comparison with the closure at normal pitch. The glottic closure observed by low-pitched phonation was not significantly different than the closure at habitual pitch. Interrater agreement was moderate to very good, depending on the mode of phonation. The results of this study allow a better understanding of the impact of phonation mode and vocal therapy techniques on VFC in healthy subjects and give an indication about the impact of these methods to influence VFC. Copyright © 2012 The Voice Foundation. Published by Mosby, Inc. All rights reserved.

  16. Calculated low-energy electron-impact vibrational excitation cross sections for CO2 molecule

    CERN Document Server

    Laporta, V; Celiberto, R

    2016-01-01

    Vibrational-excitation cross sections of ground electronic state of carbon dioxide molecule by electron-impact through the CO2-(2\\Pi) shape resonance is considered in the separation of the normal modes approximation. Resonance curves and widths are computed for each vibrational mode. The calculations assume decoupling between normal modes and employ the local complex potential model for the treatment of the nuclear dynamics, usually adopted for the electron-scattering involving diatomic molecules. Results are presented for excitation up to 10 vibrational levels in each mode and comparison with data present in the literature is discussed.

  17. Macrocycle and substituent vibrational modes of nonplanar nickel (II) octaethyltetraphenylporphyrin from its resonance Raman, near-infrared-excited FT Raman, and FT-IR spectra and deuterium isotope shifts

    Energy Technology Data Exchange (ETDEWEB)

    Stichternath, A.; Schweitzer-Stenner, R.; Dreybrodt, W. (Univ. of Bremen (Germany)); Mak, R.S.W.; Li, X.Y. (Hong Kong Univ. of Science and Technology (Hong Kong)); Sparks, L.D.; Shelnutt, J.A. (Sandia National Lab., Albuquerque, NM (United States) Univ. of New Mexico, Albuquerque (United States)); Medforth, C.J.; Smith, K.M. (Univ. of California, Davis (United States))

    1993-04-15

    We have employed Raman dispersion, FT Raman, and FT-IR spectroscopy to identify a large number of resonance Raman lines of Ni(II) octaethyltetraphenylporphyrin dissolved in CS[sub 2]. The Raman depolarization dispersion technique was used to derive the symmetry of the normal modes giving rise to the observed Raman lines. By combining this information and the already available normal coordinates of Ni(II) tetraphenylporphyrin and Ni(II) octaethylporphyrin, many of the Raman-modes of the macrocycle could be assigned. Some resonance-enhanced Raman lines were found to arise from vibrations of the ethyl and phenyl substituents. They were identified by comparing resonance Raman, FT Raman, and FT infrared spectra of the Ni(II) octaethyltetraphenylporphyrin and its d[sub 20] isotopomer. All Raman lines normally referred to as core-size markers are found to be significantly shifted to lower frequencies with respect to their positions in Ni(II) octaethylporphyrin, in accordance with earlier findings (Shelnutt et al., J. Am. Chem. Soc. 113, 4077, 1991). This suggests that the molecule is in a highly nonplanar conformation. This notion is further corroborated by the strong dispersion of the depolarization ratio observed for nearly all A[sub 1g] and A[sub 2g] modes of the macrocycle. 27 refs., 13 figs., 2 tabs.

  18. 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.

  19. Vibrational energy transport in acetylbenzonitrile described by an ab initio-based quantum tier model

    Science.gov (United States)

    Fujisaki, Hiroshi; Yagi, Kiyoshi; Kikuchi, Hiroto; Takami, Toshiya; Stock, Gerhard

    2017-01-01

    Performing comprehensive quantum-chemical calculations, a vibrational Hamiltonian of acetylbenzonitrile is constructed, on the basis of which a quantum-mechanical "tier model" is developed that describes the vibrational dynamics following excitation of the CN stretch mode. Taking into account 36 vibrational modes and cubic and quartic anharmonic couplings between up to three different modes, the tier model calculations are shown to qualitatively reproduce the main findings of the experiments of Rubtsov and coworkers (2011), including the energy relaxation of the initially excited CN mode and the structure-dependent vibrational transport. Moreover, the calculations suggest that the experimentally measured cross-peak among the CN and CO modes does not correspond to direct excitation of the CO normal mode but rather reflects excited low-frequency vibrations that anharmonically couple to the CO mode. Complementary quasiclassical trajectory calculations are found to be in good overall agreement with the quantum calculations.

  20. Influence of curvature strain and Van der Waals force on the inter-layer vibration mode of WS2 nanotubes: A confocal micro-Raman spectroscopic study

    Science.gov (United States)

    Wang, Xiao Hu; Zheng, Chang Cheng; Ning, Ji Qiang

    2016-01-01

    Transition-metal dichalcogenides (TMDs) nanostructures including nanotubes and monolayers have attracted great interests in materials science, chemistry to condensed matter physics. We present an interesting study of the vibration modes in multi-walled tungsten sulfide (WS2) nanotubes prepared via sulfurizing tungsten oxide (WO3) nanowires which are investigated by confocal micro-Raman spectroscopy. The inter-layer vibration mode of WS2 nanotubes, A1g, is found to be sensitive to the diameter and curvature strain, while the in-plane vibration mode, E12g, is not. A1g mode frequency shows a redshift by 2.5 cm−1 for the multi-layered nanotubes with small outer-diameters, which is an outcome of the competition between the Van der Waals force stiffening and the curvature strain softening. We also show that the Raman peak intensity ratio is significantly different between the 1–2 wall layered nanotubes and monolayer flat sheets. PMID:27620879

  1. Efforts toward developing probes of protein dynamics: vibrational dephasing and relaxation of carbon-deuterium stretching modes in deuterated leucine.

    Science.gov (United States)

    Zimmermann, Jörg; Gundogdu, Kenan; Cremeens, Matthew E; Bandaria, Jigar N; Hwang, Gil Tae; Thielges, Megan C; Cheatum, Christopher M; Romesberg, Floyd E

    2009-06-11

    The spectral position of C-D stretching absorptions in the so-called "transparent window" of protein absorption (1800-2300 cm(-1)) makes them well suited as probes of protein dynamics with high temporal and structural resolution. We have previously incorporated single deuterated amino acids into proteins to site-selectively follow protein folding and ligand binding by steady-state FT IR spectroscopy. Ultimately, our goal is to use C-D bonds as probes in time-resolved IR spectroscopy to study dynamics and intramolecular vibrational energy redistribution (IVR) in proteins. As a step toward this goal, we now present the first time-resolved experiments characterizing the population and dephasing dynamics of selectively excited C-D bonds in a deuterated amino acid. Three differently deuterated, Boc-protected leucines were selected to systematically alter the number of additional C-D bonds that may mediate IVR out of the initially populated bright C-D stretching mode. Three-pulse photon echo experiments show that the steady-state C-D absorption linewidths are broadened by both homogeneous and inhomogeneous effects, and transient grating experiments reveal that IVR occurs on a subpicosecond time scale and is nonstatistical. The results have important implications for the interpretation of steady-state C-D spectra and demonstrate the potential utility of C-D bonds as probes of dynamics and IVR within a protein.

  2. Flexible Helicoids, Atomic Force Microscopy (AFM Cantilevers in High Mode Vibration, and Concave Notch Hinges in Precision Measurements and Research

    Directory of Open Access Journals (Sweden)

    Yakov Tseytlin

    2012-05-01

    Full Text Available Flexible structures are the main components in many precision measuring and research systems. They provide miniaturization, repeatability, minimal damping, low measuring forces, and very high resolution. This article focuses on the modeling, development, and comparison of three typical flexible micro- nano-structures: flexible helicoids, atomic force microscopy (AFM cantilevers, and concave notch hinges. Our theory yields results which allow us to increase the accuracy and functionality of these structures in new fields of application such as the modeling of helicoidal DNA molecules’ mechanics, the definition of instantaneous center of rotation in concave flexure notch hinges, and the estimation of the increase of spring constants and resolution at higher mode vibration in AFM cantilevers with an additional concentrated and end extended mass. We developed the original kinetostatic, reverse conformal mapping of approximating contours, and non-linear thermomechanical fluctuation methods for calculation, comparison, and research of the micromechanical structures. These methods simplify complicated solutions in micro elasticity but provide them with necessary accuracy. All our calculation results in this article and in all corresponding referenced author’s publications are in a good agreement with experimental and finite element modeling data within 10% or less.

  3. Virtual interface substructure synthesis method for normal mode analysis of super-large molecular complexes at atomic resolution.

    Science.gov (United States)

    Chen, Xuehui; Sun, Yunxiang; An, Xiongbo; Ming, Dengming

    2011-10-14

    Normal mode analysis of large biomolecular complexes at atomic resolution remains challenging in computational structure biology due to the requirement of large amount of memory space and central processing unit time. In this paper, we present a method called virtual interface substructure synthesis method or VISSM to calculate approximate normal modes of large biomolecular complexes at atomic resolution. VISSM introduces the subunit interfaces as independent substructures that join contacting molecules so as to keep the integrity of the system. Compared with other approximate methods, VISSM delivers atomic modes with no need of a coarse-graining-then-projection procedure. The method was examined for 54 protein-complexes with the conventional all-atom normal mode analysis using CHARMM simulation program and the overlap of the first 100 low-frequency modes is greater than 0.7 for 49 complexes, indicating its accuracy and reliability. We then applied VISSM to the satellite panicum mosaic virus (SPMV, 78,300 atoms) and to F-actin filament structures of up to 39-mer, 228,813 atoms and found that VISSM calculations capture functionally important conformational changes accessible to these structures at atomic resolution. Our results support the idea that the dynamics of a large biomolecular complex might be understood based on the motions of its component subunits and the way in which subunits bind one another. © 2011 American Institute of Physics

  4. Three-mode factor analysis of data on retention in normal-phase high-performance liquid chromatography

    NARCIS (Netherlands)

    Ligny, C.L. de; Spanjer, M.C.; Houwelingen, J.C. van; Weesie, H.M.

    1984-01-01

    It is shown that the Snyder equation is not quite satisfactory for fitting retention data in normal-phase high-performance liquid chromatography (HPLC) on chemically bonded phases. This equation is a special case of the mathematical—statistical three-mode factor analysis model. This model, in its

  5. Bayesian normal modes identification and estimation of elastic coefficients in resonant ultrasound spectroscopy

    OpenAIRE

    de Bernard, Simon; Marrelec, Guillaume; Laugier, Pascal; GRIMAL, Quentin

    2015-01-01

    International audience; Resonant ultrasound spectroscopy is an experimental technique for measuring the stiffness of anisotropic solid materials. The free vibration resonant frequencies of a specimen are measured and the stiffness coefficients of the material adjusted to minimize the difference between experimental and predicted frequencies. An issue of this inverse approach is that the measured frequencies are not easily paired with their predicted counterpart, leading to ambiguities in the ...

  6. Evolutionary conservation of protein vibrational dynamics.

    Science.gov (United States)

    Maguid, Sandra; Fernandez-Alberti, Sebastian; Echave, Julian

    2008-10-01

    The aim of the present work is to study the evolutionary divergence of vibrational protein dynamics. To this end, we used the Gaussian Network Model to perform a systematic analysis of normal mode conservation on a large dataset of proteins classified into homologous sets of family pairs and superfamily pairs. We found that the lowest most collective normal modes are the most conserved ones. More precisely, there is, on average, a linear correlation between normal mode conservation and mode collectivity. These results imply that the previously observed conservation of backbone flexibility (B-factor) profiles is due to the conservation of the most collective modes, which contribute the most to such profiles. We discuss the possible roles of normal mode robustness and natural selection in the determination of the observed behavior. Finally, we draw some practical implications for dynamics-based protein alignment and classification and discuss possible caveats of the present approach.

  7. Stable, accurate and efficient computation of normal modes for horizontal stratified models

    Science.gov (United States)

    Wu, Bo; Chen, Xiaofei

    2016-08-01

    We propose an adaptive root-determining strategy that is very useful when dealing with trapped modes or Stoneley modes whose energies become very insignificant on the free surface in the presence of low-velocity layers or fluid layers in the model. Loss of modes in these cases or inaccuracy in the calculation of these modes may then be easily avoided. Built upon the generalized reflection/transmission coefficients, the concept of `family of secular functions' that we herein call `adaptive mode observers' is thus naturally introduced to implement this strategy, the underlying idea of which has been distinctly noted for the first time and may be generalized to other applications such as free oscillations or applied to other methods in use when these cases are encountered. Additionally, we have made further improvements upon the generalized reflection/transmission coefficient method; mode observers associated with only the free surface and low-velocity layers (and the fluid/solid interface if the model contains fluid layers) are adequate to guarantee no loss and high precision at the same time of any physically existent modes without excessive calculations. Finally, the conventional definition of the fundamental mode is reconsidered, which is entailed in the cases under study. Some computational aspects are remarked on. With the additional help afforded by our superior root-searching scheme and the possibility of speeding calculation using a less number of layers aided by the concept of `turning point', our algorithm is remarkably efficient as well as stable and accurate and can be used as a powerful tool for widely related applications.

  8. The optimization of single mode basis functions for polyatomic vibrational problems with application to the water molecule

    Science.gov (United States)

    Schwenke, David W.

    1992-01-01

    The optimization of the wave functions is considered for coupled vibrations represented by linear combinations of products of functions depending only on a single vibrational coordinate. The functions themselves are optimized as well as configuration list. For the H2O molecule highly accurate results are obtained for the lowest 15 levels using significantly shorter expansions than would otherwise be possible.

  9. 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…

  10. Beam Diffraction Effects in the Backward Wave Regions of Viscoelastic Leaky Lamb Modes for Plate Transmission at Normal Incidence.

    Science.gov (United States)

    Aanes, Magne; Lohne, Kjetil Daae; Lunde, Per; Vestrheim, Magne

    2017-10-01

    Plane-wave theory for fluid-embedded isotropic plates is often used in ultrasonic guided-wave applications, and to estimate wall thickness, corrosion, or sound velocities in plates and pipes. In such structures, measured ultrasonic transmission through the solid material is affected by acoustic beam diffraction effects, and the results may deviate from plane-wave descriptions, which are insufficient to describe the complex effects that occur. When exciting a fluid-embedded steel plate with a pulsed ultrasonic beam at normal incidence, resonance frequency downshift, axial sound pressure level increase, and beam narrowing have been observed, for measured resonance peaks in the frequency regions of certain leaky Lamb mode branches of the plate. In the ranges of other leaky Lamb mode branches, the observed effects are different. Measurements, finite element, and angular spectrum modeling are used to indicate a close connection between these beam diffraction phenomena and the backward wave characteristics of certain leaky Lamb mode pairs, in the frequency and Poisson's ratio regions around coincidence of two Lamb mode cutoff frequencies of similar symmetry. In particular, such observations made for the steel plate's fundamental thickness-extensional (TE) mode appear to be caused by acoustic beam excitation of the backward wave regions of the S -2 vl and S 2 vl leaky Lamb modes.

  11. Vibration mode shapes visualization in industrial environment by real-time time-averaged phase-stepped electronic speckle pattern interferometry at 10.6 μm and shearography at 532 nm

    Science.gov (United States)

    Languy, Fabian; Vandenrijt, Jean-François; Thizy, Cédric; Rochet, Jonathan; Loffet, Christophe; Simon, Daniel; Georges, Marc P.

    2016-12-01

    We present our investigations on two interferometric methods suitable for industrial conditions dedicated to the visualization of vibration modes of aeronautic blades. First, we consider long-wave infrared (LWIR) electronic speckle pattern interferometry (ESPI). The use of long wavelength allows measuring larger amplitudes of vibrations compared with what can be achieved with visible light. Also longer wavelengths allow lower sensitivity to external perturbations. Second, shearography at 532 nm is used as an alternative to LWIR ESPI. Both methods are used in time-averaged mode with the use of phase-stepping. This allows transforming Bessel fringes, typical to time averaging, into phase values that provide higher contrast and improve the visualization of vibration mode shapes. Laboratory experimental results with both techniques allowed comparison of techniques, leading to selection of shearography. Finally a vibration test on electrodynamic shaker is performed in an industrial environment and mode shapes are obtained with good quality by shearography.

  12. 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.

  13. 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

  14. Influence of surface micro-beams with large deflection on the resonance frequency of a quartz crystal resonator in thickness-shear mode vibrations

    Directory of Open Access Journals (Sweden)

    Chi Luo

    2017-03-01

    Full Text Available We study the dynamic behavior of a quartz crystal resonator (QCR in thickness-shear vibrations with the upper surface covered by an array of micro-beams (MBs under large deflection. Through taking into account the continuous conditions of shear force and bending moment at the interface of MBs/resonator, dependences of frequency shift of the compound QCR system versus material parameter and geometrical parameter are illustrated in detail for nonlinear and linear vibrations. It is found that the frequency shift produces a little right (left translation for increasing elastic modulus (length/radius ratio of MBs. Moreover, the frequency right (left translation distance caused by nonlinear deformation becomes more serious in the second-order mode than in the first-order one.

  15. Direct evidence for mode-specific vibrational energy relaxation from quantum time-dependent perturbation theory. III. The nu(4) and nu(7) modes of nonplanar nickel porphyrin models.

    Science.gov (United States)

    Zhang, Yong; Straub, John E

    2009-06-07

    The time scales and pathways of vibrational energy relaxation (VER) of the nu(4) and nu(7) modes of three nickel porphyrin models, nickel porphine (NiP), nickel protoporphyrin IX (Ni-heme), and nickel octaethylporphyrin (NiOEP), were studied using a non-Markovian time-dependent perturbation theory at the B3LYP/6-31G(d) level. When NiP is calculated with D(4h) symmetry, it has the planar structure and the same VER properties as ferrous iron porphine (FeP). The porphine cores of both Ni-heme and NiOEP were distorted from a planar geometry, assuming a nonplanar structure, similar to that of the heme structure in cytochrome c. The VER time scales of Ni-heme are found to be similar to those predicted for a planar iron heme, but the derived pathways have distinctly different features. In particular, the strong coupling between the nu(7) mode and the overtone of the approximately 350 cm(-1) gamma(7) mode, observed for planar porphyrins, is absent in both nonplanar nickel porphyrins. Direct energy exchange between the nu(4) and nu(7) modes is not observed in NiOEP, but is found to play an essential role in the VER of the nu(4) mode in Ni-heme. The Ni-heme isopropionate groups are involved in the dominant VER pathways of both the nu(4) and nu(7) modes of Ni-heme. However, in contrast with VER pathways derived in planar iron heme, the isopropionate groups are not observed to play an essential role relative to other side chains in spatially directing the vibrational energy flow.

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

    Indian Academy of Sciences (India)

    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 strengths of the ...

  17. Spline-based Rayleigh-Ritz methods for the approximation of the natural modes of vibration for flexible beams with tip bodies

    Science.gov (United States)

    Rosen, I. G.

    1986-01-01

    Rayleigh-Ritz methods for the approximation of the natural modes for a class of vibration problems involving flexible beams with tip bodies using subspaces of piecewise polynomial spline functions are developed. An abstract operator-theoretic formulation of the eigenvalue problem is derived and spectral properties investigated. The existing theory for spline-based Rayleigh-Ritz methods applied to elliptic differential operators and the approximation properties of interpolatory splines are used to argue convergence and establish rates of convergence. An example and numerical results are discussed.

  18. Robust vibration control at critical resonant modes using indirect-driven self-sensing actuation in mechatronic systems.

    Science.gov (United States)

    Hong, Fan; Pang, Chee Khiang

    2012-11-01

    This paper presents an improved indirect-driven self-sensing actuation circuit for robust vibration control of piezoelectrically-actuated flexible structures in mechatronic systems. The circuit acts as a high-pass filter and provides better self-sensing strain signals with wider sensing bandwidth and higher signal-to-noise ratio. An adaptive non-model-based control is used to compensate for the structural vibrations using the strain signals from the circuit. The proposed scheme is implemented in a PZT-actuated suspension of a commercial dual-stage hard disk drive. Experimental results show improvements of 50% and 75% in the vibration suppression at 5.4kHz and 21kHz respectively, compared to the conventional PI control. Copyright © 2012 ISA. Published by Elsevier Ltd. All rights reserved.

  19. Quantum control spectroscopy of vibrational modes: Comparison of control scenarios for ground and excited states in {beta}-carotene

    Energy Technology Data Exchange (ETDEWEB)

    Hauer, Juergen; Buckup, Tiago [Fachbereich Chemie, Physikalische Chemie, Philipps-Universitaet Marburg, Hans-Meerwein-Strasse, D-35043 Marburg (Germany); Motzkus, Marcus [Fachbereich Chemie, Physikalische Chemie, Philipps-Universitaet Marburg, Hans-Meerwein-Strasse, D-35043 Marburg (Germany)], E-mail: motzkus@staff.uni-marburg.de

    2008-06-23

    Quantum control spectroscopy (QCS) is used as a tool to study, address selectively and enhance vibrational wavepacket motion in large solvated molecules. By contrasting the application of Fourier-limited and phase-modulated excitation on different electronic states, the interplay between the controllability of vibrational coherence and electronic resonance is revealed. We contrast control on electronic ground and excited state by introducing an additional pump beam prior to a DFWM-sequence (Pump-DFWM). Via phase modulation of this initial pump pulse, coherent control is extended to structural evolution on the vibrationally hot ground state (hot-S{sub 0}) and lowest lying excited state (S{sub 1}) of {beta}-carotene. In an open loop setup, the control scenarios for these different electronic states are compared in their effectiveness and mechanism.

  20. Nonclassicality in two-mode BEC

    OpenAIRE

    Giri, Sandip Kumar; Sen, Biswajit; Ooi, C H Raymond; Pathak, Anirban

    2013-01-01

    The operator solution of a completely quantum mechanical Hamiltonian of the Raman processes is used here to investigate the possibility of obtaining intermodal entanglement between different modes involved in the Raman processes (e.g. pump mode, Stokes mode, vibration (phonon) mode and anti-Stokes mode). Intermodal entanglement is reported between a) pump mode and anti-Stokes mode, b) pump mode and vibration (phonon) mode c) Stokes mode and vibration phonon mode, d) Stokes mode and anti-stoke...

  1. A user's guide to the SUDAN computer program for determining the vibration modes of structural systems. Ph.D. Thesis - Case Western Reserve Univ., Jun. 1963

    Science.gov (United States)

    Kvaternik, R. G.; Durling, B. J.

    1978-01-01

    The use of the SUDAN computer program for analyzing structural systems for their natural modes and frequencies of vibration is described. SUDAN is intended for structures which can be represented as an equivalent system of beam, spring, and rigid-body substructures. User-written constraint equations are used to analytically join the mass and stiffness matrices of the substructures to form the mass and stiffness matrices of the complete structure from which all the frequencies and modes of the system are determined. The SUDAN program can treat the case in which both the mass and stiffness matrices of the coupled system may be singular simultaneously. A general description of the FORTRAN IV program is given, the computer hardware and software specifications are indicated, and the input required by the program is described.

  2. Full Article: Stoichiometry, Vibrational Modes and Structure of Molten Nb2O5-K2S2O7 Mixtures

    DEFF Research Database (Denmark)

    Boghosian, S.; Borup, F.; Berg, Rolf W.

    1998-01-01

    The dissolution reaction of Nb205 in pure molten K2S207 has been studied and high temperature Raman spectroscopy has been used for determining the vibrational and structural properties of the Nb(V) complex(es) formed according to the reaction Nb205 + n S207(2-) -> complex. By means of a recently ...

  3. 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

  4. 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.

  5. 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.

  6. Resonance Raman and vibrational mode analysis used to predict ligand geometry for docking simulations of a water soluble porphyrin and tubulin.

    Science.gov (United States)

    McMicken, Brady; Parker, James E; Thomas, Robert J; Brancaleon, Lorenzo

    2016-09-01

    The ability to modify the conformation of a protein by controlled partial unfolding may have practical applications such as inhibiting its function or providing non-native photosensitive properties. A water-soluble porphyrin, meso-tetrakis (p-sulfonatophenyl) porphyrin (TSPP), non-covalently bound to tubulin can be used as a photosensitizer, which upon irradiation can lead to conformational changes of the protein. To fully understand the mechanism responsible for this partial unfolding and determine the amino acid residues and atoms involved, it is essential to find the most likely binding location and the configuration of the ligand and protein. Techniques typically used to analyze atomic position details, such as nuclear magnetic resonance and X-ray crystallography, require large concentrations, which are incompatible with the dilute conditions required in experiments for photoinduced mechanisms. Instead, we develop an atomistic description of the TSPP-tubulin complex using vibrational mode analysis from density functional theory calculations correlated to resonance Raman spectra of the porphyrin paired with docking simulations. Changes in the Raman peaks of the porphyrin molecule correlate with changes in its structural vibrational modes when bound to tubulin. The data allow us to construct the relative geometry of the porphyrin when bound to protein, which are then used with docking simulations to find the most likely configuration of the TSPP-tubulin complex.

  7. Importance of C*-H based modes and large amplitude motion effects in vibrational circular dichroism spectra: the case of the chiral adduct of dimethyl fumarate and anthracene.

    Science.gov (United States)

    Passarello, Marco; Abbate, Sergio; Longhi, Giovanna; Lepri, Susan; Ruzziconi, Renzo; Nicu, Valentin Paul

    2014-06-19

    The role played by the C*-H based modes (C* being the chiral carbon atom) and the large amplitude motions in the vibrational absorption (VA) and vibrational circular dichroism (VCD) spectra is investigated. The example of an adduct of dimethyl fumarate and anthracene, i.e., dimethyl-(+)-(11R,12R)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate, and two deuterated isotopomers thereof specially synthesized for this goal, are considered. By comparing the experimental and DFT calculated spectra of the undeuterated and deuterated species, we demonstrate that the C*-H bending, rocking, and stretching modes in the VA and VCD spectra are clearly identified in well defined spectroscopic features. Further, significant information about the conformer distribution is gathered by analyzing the VA and VCD data of both the fingerprint and the C-H stretching regions, with particular attention paid to the band shape data. Effects related to the large amplitude motions of the two methoxy moieties have been simulated by performing linear transit (LT) calculations, which consists of varying systematically the relative positions of the two methoxy moieties and calculating VCD spectra for the partially optimized structures obtained in this way. The LT method allows one to improve the quality of calculated spectra, as compared to experimental results, especially in regard to relative intensities and bandwidths.

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

    Science.gov (United States)

    Glantz-Gashai, Yitav; Meirson, Tomer; Reuveni, Eli; Samson, Abraham O

    2017-01-01

    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. PMID:28684899

  9. Vibrational assignments for 7-methyl-4-bromomethylcoumarin, as aided by RHF and B3LYP/6-31G* calculations.

    Science.gov (United States)

    Sortur, Veenasangeeta; Yenagi, Jayashree; Tonannavar, J; Jadhav, V B; Kulkarni, M V

    2008-11-15

    Infrared (4000-400 cm(-1)) and Raman (3500-50 cm(-1)) spectral measurements have been made for the solid sample of 7-methyl-4-bromomethylcoumarin. Electronic structure calculations at RHF/6-31G* and B3LYP/6-31G* levels of theory have been performed, giving equilibrium geometries, harmonic vibrational spectra and normal modes. Different orientations of bromomethyl group have yielded only two conformers, of which the most stable one lying lower from the other conformer by approximately 7.99 kJ/mol, is non-planar with no symmetry. A complete assignment of the vibrational modes, aided by the calculations, has been proposed. Coupled vibrations are manifest in many modes. Some spectral features, compared to 6-methyl-4-bromomethylcoumarin, show changes across both IR and Raman spectra, involving mainly skeletal vibrations, and to a lesser degree, methyl and bromomethyl vibrations. Low-frequency vibrations below 150 cm(-1) are assigned to lattice modes.

  10. Vibrational Inelastic Electron Tunneling Spectroscopy of Surface Adsorbed Single Molecules at Sub-Kelvin Temperature

    OpenAIRE

    Jiang, Chi-Lun

    2015-01-01

    With a 600mk homebuilt UHV STM system, we studied molecular vibration at the solid surface with inelastic electron tunneling spectroscopy (IETS) of Acetylene single molecules adsorbed on Cu(100) surface and revealed five new vibrational modes that were previously inaccessible to STM-IETS at 8K temperature. The identification of vibrational IETS features with normalized conductance change (Δσ/σ) as low as 0.24% was demonstrated. Facilitated by the high energy resolution, we also revealed the a...

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

    Science.gov (United States)

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

    2009-07-01

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

  12. Noninvasive monitoring of vocal fold vertical vibration using the acoustic Doppler effect.

    Science.gov (United States)

    Tao, Chao; Jiang, Jack J; Wu, Dan; Liu, Xiaojun; Chodara, Ann

    2012-11-01

    To validate a proposed method of noninvasively monitoring vocal fold vertical vibration through utilization of the acoustic Doppler effect and the waveguide property of the vocal tract. Validation case-control study. In this device, an ultrasound beam is generated and directed into the mouth. The vocal tract, acting as a natural waveguide, guides the ultrasound beam toward the vibrating vocal folds. The vertical velocity of vocal fold vibration is then recovered from the Doppler frequency of the reflected ultrasound. One subject (age 32, male) was studied and measurements were taken under three modes of vocal fold vibration: breathing (no vibration), whispering (irregular vibration), and normal phonation (regular vibration). The peak-to-peak amplitude of the measured velocity of vocal fold vertical vibration was about 0.16 m/s, and the fundamental frequency was 172 Hz; the extracted velocity information showed a reasonable waveform and value in comparison with the previous studies. In all three modes of phonation, the Doppler frequencies derived from the reflected ultrasound corresponded with the vertical velocity of vocal fold vibration as expected. The proposed method can accurately represent the characteristics of different phonation modes such as no phonation, whisper and normal phonation. The proposed device could be used in daily monitoring and assessment of vocal function and vocal fold vibration. Copyright © 2012 The Voice Foundation. Published by Mosby, Inc. All rights reserved.

  13. Component mode synthesis and large deflection vibration of complex structures. Volume 1: Examples of NASTRAN modal synthesis capability

    Science.gov (United States)

    Mei, Chuh; Shen, Mo-How

    1987-01-01

    The use of NASTRAN model synthesis capability is illustrated. A classical truss problem is examined and the results are compared to results from other methods to test for accuracy. The problem is examined using both fixed interface modes and free interface modes. The solution is carried out for an applied dynamic load as far as recovery of forces in individual members as a function of time. Another small beam problem is used to compare different means of combining substructures.

  14. Normal mode solution for low-frequency sound propagation in a downward refracting atmosphere above a complex impedance plane.

    Science.gov (United States)

    Raspet, R; Baird, G; Wu, W

    1992-03-01

    The development of the fast field and parabolic equation solutions to the wave equation has made it possible to solve for the combined effects of refraction in a layered atmosphere and the interaction of sound with a complex impedance ground surface. In many respects the numerical methods have advanced beyond our understanding of the basic phenomena. In an earlier study [J. Acoust. Soc. Am. 89, 107-114 (1991)], the residue series solution for upward refraction was investigated and provided insight into the nature of the interaction of refraction and ground reflection. In this paper results are presented of a similar normal mode solution for downward refraction above a complex impedance ground surface. This model is used to investigate when the surface wave is excited for downward refraction conditions and to develop criteria for the maximum range of cylindrical decay as a function of phase and magnitude of the ground impedance and the magnitude of the sound velocity gradient.

  15. Ultra-broadband dissipative soliton and noise-like pulse generation from a normal dispersion mode-locked Tm-doped all-fiber laser.

    Science.gov (United States)

    Sobon, Grzegorz; Sotor, Jaroslaw; Martynkien, Tadeusz; Abramski, Krzysztof M

    2016-03-21

    We report generation of ultra-broadband dissipative solitons and noise-like pulses from a simple, fully fiberized mode-locked Tm-doped fiber laser. The oscillator operates in the normal net dispersion regime and is mode-locked via nonlinear polarization evolution. Depending on the cavity dispersion, the laser was capable of generating 60 nm or 100 nm broad dissipative solitons. These are the broadest spectra generated from a normal dispersion mode-locked Tm-doped fiber laser so far. The same oscillator might also operate in the noise-like pulse regime with extremely broad emission spectra (over 300 nm), which also significantly outperforms the previous reports.

  16. 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.

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

    Science.gov (United States)

    Gupta, Garima; Sehgal, Stuti

    2012-01-30

    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. 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. 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. 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.

  18. Deciphering the mismatch recognition cycle in MutS and MSH2-MSH6 using normal-mode analysis.

    Science.gov (United States)

    Mukherjee, Shayantani; Law, Sean M; Feig, Michael

    2009-03-04

    Postreplication DNA mismatch repair is essential for maintaining the integrity of genomic information in prokaryotes and eukaryotes. The first step in mismatch repair is the recognition of base-base mismatches and insertions/deletions by bacterial MutS or eukaryotic MSH2-MSH6. Crystal structures of both proteins bound to mismatch DNA reveal a similar molecular architecture but provide limited insight into the detailed molecular mechanism of long-range allostery involved in mismatch recognition and repair initiation. This study describes normal-mode calculations of MutS and MSH2-MSH6 with and without DNA. The results reveal similar protein flexibilities and suggest common dynamic and functional characteristics. A strongly correlated motion is present between the lever domain and ATPase domains, which suggests a pathway for long-range allostery from the N-terminal DNA binding domain to the C-terminal ATPase domains, as indicated by experimental studies. A detailed analysis of individual low-frequency modes of both MutS and MSH2-MSH6 shows changes in the DNA-binding domains coupled to the ATPase sites, which are interpreted in the context of experimental data to arrive at a complete molecular-level mismatch recognition cycle. Distinct conformational states are proposed for DNA scanning, mismatch recognition, repair initiation, and sliding along DNA after mismatch recognition. Hypotheses based on the results presented here form the basis for further experimental and computational studies.

  19. Comparison of all-atom and coarse-grained normal mode analysis in the elastic network model

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Ming Wen; O' Riordan, Brian; Kim, Byung [University of Massachusetts Amherst, Amherst (United States); Kim, Moon Ki [Sungkyunkwan University, Suwon (Korea, Republic of)

    2013-11-15

    Elastic network-based normal mode analyses (EN-NMA) of four pairs of open-closed proteins (Lactoferrin, Maltodextrin-binding protein, LAO-binding protein, and Adenylate kinase) were conducted using both all-atom and coarse-grained models. The results indicated that the performance of the all-atom model was similar to that of the coarse-grained model in terms of predicting the conformational changes of backbones. Moreover, dynamic behavior was examined by studying relative atomic displacements and shapes of the dominant mode. For instance, for Maltodextrin-binding protein, the results from the all-atom model differed from those of the coarse-grained model, especially for residues that are biologically relevant. The coarse-grained model has better computational efficiency than the allatom model. However, the former may misrepresent the key dynamics of a protein related to biological functions as a consequence of excessive coarse approximation. Considering that the current power even in a high-end personal computer is sufficient to handle most of protein structures with up to 1,000 residues in a reasonable manner, which can only be used with supercomputers a few decades ago, an all-atom-based EN-NMA may deserve more attention as a reliable and powerful computational tool for protein dynamics study over the conventional coarse-graining approach.

  20. Effects of topological defects and diatom vacancies on characteristic vibration modes and Raman intensities of zigzag single-walled carbon nanotubes.

    Science.gov (United States)

    Saidi, Wissam A

    2014-09-04

    Defects are ubiquitous in carbon nanotubes (CNTs), despite their large formation energies, and have astounding effects on their physicochemical properties. In this study, we employ density-functional theory (DFT) calculations to study systematically the atomic structure, stability, and characteristic vibrations of pristine and defected zigzag CNTs, where the defects are of the form of Stone-Wales (SW) and diatom vacancies (DV). The DFT optimized structures and the phonon modes are subsequently used in conjunction with a semiempirical bond-polarization model to study the nonresonant Raman spectra. For each defect type, we find two CNT structures with defects parallel or oblique to the tube axis. For the SW defects, the two structures have similar formation energies, whereas for the DV defect, only defects parallel to the tube axis are likely to exist. The results show that the defects induce a blue shift in the radial breathing mode (RBM) of metallic CNTs, whereas this mode is not shifted for semiconducting CNTs. However, the RBM shift or its Raman profile is not sensitive to the defect type. The G-band showed more sensitivity to the defects in the form of a red/blue shift in the frequency, or a partial/complete defragmentation of the G bands.

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

    Science.gov (United States)

    Gascooke, Jason R; Lawrance, Warren D

    2013-02-28

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

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

    Science.gov (United States)

    Gascooke, Jason R.; Lawrance, Warren D.

    2013-02-01

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

  3. N-H stretching modes around 3300 wavenumber from peptide backbones observed by chiral sum frequency generation vibrational spectroscopy.

    Science.gov (United States)

    Fu, Li; Wang, Zhuguang; Yan, Elsa C Y

    2014-09-01

    We present a detailed analysis of the molecular origin of the chiral sum frequency generation (SFG) signals of proteins and peptides at interfaces in the N-H stretching vibrational region. The N-H stretching can be a probe for investigating structural and functional properties of proteins, but remains technically difficult to analyze due to the overlapping with the O-H stretching of water molecules. Chiral SFG spectroscopy offers unique tools to study the N-H stretching from proteins at interfaces without interference from the water background. However, the molecular origin of the N-H stretching signals of proteins is still unclear. This work provides a justification of the origin of chiral N-H signals by analyzing the vibrational frequencies, examining chiral SFG theory, studying proton (hydrogen/deuterium) exchange kinetics, and performing optical control experiments. The results demonstrate that the chiral N-H stretching signals at ~3300 cm(-1) originate from the amide group of the protein backbones. This chiral N-H stretching signal offers an in situ, real-time, and background-free probe for interrogating the protein structures and dynamics at interfaces at the molecular level. © 2014 Wiley Periodicals, Inc.

  4. Vibrational mode-selected differential scattering of NH3+ methanol (d1, d3, d4): Control of product branching by hydrogen-bonded complex formation

    Science.gov (United States)

    Fu, Hungshin; Qian, Jun; Green, Richard J.; Anderson, Scott L.

    1998-02-01

    We report a study of vibrational mode effects and differential scattering in reaction of NH3+ with CD3OD, CD3OH, and CH3OD over the collision energy range from 0.1 to 5 eV. At low collision energies, abstraction of both methyl and hydroxyl D atoms is observed with roughly equal probability, even though methyl D-abstraction should be favored on both energetic and statistical grounds. Branching between the two abstraction reactions is controlled by two different hydrogen-bonded complexes. Formation of these complexes is enhanced by NH3+ umbrella bending, unaffected by the NH3+ symmetric stretch, and inhibited by collision energy. Endoergic proton transfer is mediated at low energies by a third hydrogen-bonded complex, formation of which is enhanced by both umbrella bending and the symmetric stretch. Charge transfer (CT) has a significant cross section only when the NH3+ umbrella bend excitation exceeds the endoergicity. Collision energy and symmetric stretching appear to have no effect on CT. At high collision energies all reactions become direct, with near spectator stripping dynamics. In this energy range product branching appears to be controlled by collision geometry and there are no significant vibrational effects.

  5. A Robust Vibration Control of a Magnetorheological Damper Based Railway Suspension Using a Novel Adaptive Type 2 Fuzzy Sliding Mode Controller

    Directory of Open Access Journals (Sweden)

    Sy Dung Nguyen

    2017-01-01

    Full Text Available This work proposes a novel adaptive type 2 fuzzy sliding controller (AT2FC for vibration control of magnetorheological damper- (MRD- based railway suspensions subjected to uncertainty and disturbance (UAD. The AT2FC is constituted of four main parts. The first one is a sliding mode controller (SMC for specifying the main damping force supporting the suspension. This controller is designed via Lyapunov stability theory. The second one is an interpolation model based on an interval type 2 fuzzy logic system for determination of optimal parameters of the SMC. The third one is a nonlinear UAD observer to compensate for external disturbances. The fourth one is an inverse MRD model (T2F-I-MRD for specifying the input current. In the operating process, an adaptively optimal structure deriving from the SMC is created (called the Ad-op-SMC to adapt to the real status. Working as an actuator, the input current for MRD is then determined by the T2F-I-MRD to generate the required damping force which is estimated by the Ad-op-SMC and the nonlinear observer. It is shown that the obtained survey results reflect the AT2FC’s excellent vibration control performance compared with the other controllers.

  6. Effects of brain amyloid deposition and reduced glucose metabolism on the default mode of brain function in normal aging.

    Science.gov (United States)

    Kikuchi, Mitsuru; Hirosawa, Tetsu; Yokokura, Masamichi; Yagi, Shunsuke; Mori, Norio; Yoshikawa, Etsuji; Yoshihara, Yujiro; Sugihara, Genichi; Takebayashi, Kiyokazu; Iwata, Yasuhide; Suzuki, Katsuaki; Nakamura, Kazuhiko; Ueki, Takatoshi; Minabe, Yoshio; Ouchi, Yasuomi

    2011-08-03

    Brain β-amyloid (Aβ) deposition during normal aging is highlighted as an initial pathogenetic event in the development of Alzheimer's disease. Many recent brain imaging studies have focused on areas deactivated during cognitive tasks [the default mode network (DMN), i.e., medial frontal gyrus/anterior cingulate cortex and precuneus/posterior cingulate cortex], where the strength of functional coordination was more or less affected by cerebral Aβ deposits. In the present positron emission tomography study, to investigate whether regional glucose metabolic alterations and Aβ deposits seen in nondemented elderly human subjects (n = 22) are of pathophysiological importance in changes of brain hemodynamic coordination in DMN during normal aging, we measured cerebral glucose metabolism with [(18)F]FDG, Aβ deposits with [(11)C]PIB, and regional cerebral blood flow during control and working memory tasks by H(2)(15)O on the same day. Data were analyzed using both region of interest and statistical parametric mapping. Our results indicated that the amount of Aβ deposits was negatively correlated with hemodynamic similarity between medial frontal and medial posterior regions, and the lower similarity was associated with poorer working memory performance. In contrast, brain glucose metabolism was not related to this medial hemodynamic similarity. These findings suggest that traceable Aβ deposition, but not glucose hypometabolism, in the brain plays an important role in occurrence of neuronal discoordination in DMN along with poor working memory in healthy elderly people.

  7. Molecular structure, Normal Coordinate Analysis, harmonic vibrational frequencies, Natural Bond Orbital, TD-DFT calculations and biological activity analysis of antioxidant drug 7-hydroxycoumarin

    Science.gov (United States)

    Sebastian, S.; Sylvestre, S.; Jayarajan, D.; Amalanathan, M.; Oudayakumar, K.; Gnanapoongothai, T.; Jayavarthanan, T.

    2013-01-01

    In this work, we report harmonic vibrational frequencies, molecular structure, NBO and HOMO, LUMO analysis of Umbelliferone also known as 7-hydroxycoumarin (7HC). The optimized geometric bond lengths and bond angles obtained by computation (monomer and dimmer) shows good agreement with experimental XRD data. Harmonic frequencies of 7HC were determined and analyzed by DFT utilizing 6-311+G(d,p) as basis set. The assignments of the vibrational spectra have been carried out with the help of Normal Coordinate Analysis (NCA) following the Scaled Quantum Mechanical Force Field Methodology (SQMFF). The change in electron density (ED) in the σ* and π* antibonding orbitals and stabilization energies E(2) have been calculated by Natural Bond Orbital (NBO) analysis to give clear evidence of stabilization originating in the hyperconjugation of hydrogen-bonded interaction. The energy and oscillator strength calculated by Time-Dependent Density Functional Theory (TD-DFT) complements with the experimental findings. The simulated spectra satisfactorily coincides with the experimental spectra. Microbial activity of studied compounds was tested against Staphylococcus aureus, Streptococcus pyogenes, Bacillus subtilis, Escherichia coli, Psuedomonas aeruginosa, Klebsiella pneumoniae, Proteus mirabilis, Shigella flexneri, Salmonella typhi and Enterococcus faecalis.

  8. 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...... bimolecular complexes with donors such as alcohols, amines and acids. We have applied the modified model to a series of complexes of different hydrogen bond type and complex energy. We found that the differences between local mode (LM) and LMPT calculated fundamental XH-stretching transition wavenumbers...

  9. FTIR spectra and normal-mode analysis of a tetranuclear Manganese adamantane-like complex in two electrochemically prepared oxidation states: Relevance to the oxygen-evolving complex of Photosystem II

    Energy Technology Data Exchange (ETDEWEB)

    Visser, Hendrik; Dube, Christopher E.; Armstrong, William H.; Sauer, Kenneth; Yachandra, Vittal K.

    2002-03-19

    The IR spectra and normal-mode analysis of the adamantane-like compound [Mn4O6(bpea)4]n+ in two oxidation states, MnIV4 and MnIIIMnIV3, that are relevant to the oxygen-evolving complex of photosystem II are presented. Mn-O vibrational modes are identified with isotopic exchange, 16O->18O, of the mono-(mu)-oxo bridging atoms in the complex. IR spectra of the MnIIIMnIV3 species are obtained by electrochemical reduction of the MnIV4 species using a spectroelectrochemical cell, based on attenuated total reflection [Visser et al. Anal Chem 2001, 73, 4374-4378]. A novel method of subtraction is used to reduce background contributions from solvent and ligand modes, and the difference and double-difference spectra are used in identifying Mn-O bridging modes that are sensitive to oxidation state change. Two strong IR bands are observed for the MnIV4 species at 745 and 707 cm-1 and a weaker band at 510 cm-1. Upon reduction, the MnIIIMnIV3 species exhibits two strong IR bands at 745 and 680 cm-1, and several weaker bands are observed in the 510 - 425 cm-1 range. A normal mode analysis is performed to assign all the relevant bridging modes in the oxidized MnIV4 and reduced MnIIIMnIV3 species. The calculated force constants for the MnIV4 species are = 3.15 mdynAngstrom, = 0.55 mdyn/Angstrom, and = 0.20 mdyn/Angstrom. The force constants for the MnIIIMnIV3 species are = 3.10 mdyn/Angstrom, = 2.45 mdyn/Angstrom, = 0.40, and = 0.15 mdyn/Angstrom. This study provides insights for the identification of Mn-O modes in the IR spectra of the photosynthetic oxygen-evolving complex during its catalytic cycle.

  10. Principal component and normal mode analysis of proteins; a quantitative comparison using the GroEL subunit.

    Science.gov (United States)

    Skjaerven, Lars; Martinez, Aurora; Reuter, Nathalie

    2011-01-01

    Principal component analysis (PCA) and normal mode analysis (NMA) have emerged as two invaluable tools for studying conformational changes in proteins. To compare these approaches for studying protein dynamics, we have used a subunit of the GroEL chaperone, whose dynamics is well characterized. We first show that both PCA on trajectories from molecular dynamics (MD) simulations and NMA reveal a general dynamical behavior in agreement with what has previously been described for GroEL. We thus compare the reproducibility of PCA on independent MD runs and subsequently investigate the influence of the length of the MD simulations. We show that there is a relatively poor one-to-one correspondence between eigenvectors obtained from two independent runs and conclude that caution should be taken when analyzing principal components individually. We also observe that increasing the simulation length does not improve the agreement with the experimental structural difference. In fact, relatively short MD simulations are sufficient for this purpose. We observe a rapid convergence of the eigenvectors (after ca. 6 ns). Although there is not always a clear one-to-one correspondence, there is a qualitatively good agreement between the movements described by the first five modes obtained with the three different approaches; PCA, all-atoms NMA, and coarse-grained NMA. It is particularly interesting to relate this to the computational cost of the three methods. The results we obtain on the GroEL subunit contribute to the generalization of robust and reproducible strategies for the study of protein dynamics, using either NMA or PCA of trajectories from MD simulations. © 2010 Wiley-Liss, Inc.

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

    Science.gov (United States)

    Mackeprang, Kasper; Kjaergaard, Henrik G.

    2017-04-01

    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 bimolecular complexes with donors such as alcohols, amines and acids. We have applied the modified model to a series of complexes of different hydrogen bond type and complex energy. We found that the differences between local mode (LM) and LMPT calculated fundamental XH-stretching transition wavenumbers and oscillator strengths were correlated with the strength of the hydrogen bond. Overall, we have found that the LMPT model in most cases predicts transition wavenumbers within 20 cm-1 of the experimental values.

  12. Non-Gaussian statistics of amide I mode frequency fluctuation of N-methylacetamide in methanol solution: Linear and nonlinear vibrational spectra

    Science.gov (United States)

    Kwac, Kijeong; Lee, Hochan; Cho, Minhaeng

    2004-01-01

    By carrying out molecular dynamics simulations of an N-methylacetamide (NMA) in methanol solution, the amide I mode frequency fluctuation and hydrogen bonding dynamics were theoretically investigated. Combining an extrapolation formula developed from systematic ab initio calculation studies of NMA-(CH3OH)n clusters with a classical molecular dynamics simulation method, we were able to quantitatively describe the solvatochromic vibrational frequency shift induced by the hydrogen-bonding interaction between NMA and solvent methanol. It was found that the fluctuating amide I mode frequency distribution is notably non-Gaussian and it can be decomposed into two Gaussian peaks that are associated with two distinctively different solvation structures. The ensemble-average-calculated linear response function associated with the IR absorption is found to be oscillating, which is in turn related to the doublet amide I band shape. Numerically calculated infrared absorption spectra are directly compared with experiment and the agreement was found to be excellent. By using the Onsager's regression hypothesis, the rate constants of the interconversion process between the two solvation structures were obtained. Then, the nonlinear response functions associated with two-dimensional infrared pump-probe spectroscopy were simulated. The physics behind the two-dimensional line shape and origin of the cross peaks in the time-resolved pump-probe spectra is explained and the result is compared with 2D spectra experimentally measured recently by Woutersen et al. [S. Woutersen, Y. Mu, G. Stock, and P. Hamm, Chem. Phys. 266, 137 (2001)].

  13. Vibration Analysis Of a Self-Excited Elastic Beam

    Directory of Open Access Journals (Sweden)

    M. A. Barrón-M

    2010-08-01

    Full Text Available The vibration behavior and the energy exchange among the normal modes of a clamped-free self-excited elasticbeam are analyzed in this work. To model this kind of beam, the damping term of a van der Pol oscillator is directlyadded to the equation of a linear elastic beam, yielding a single nonlinear partial differential equation. To solve thisequation, a spectral method is employed. Three vibration modes are considered in the analysis, and the values of theself-exciting constant are varied in order to cover from linear to nonlinear vibration behavior. Multiple frequencies ofthe nonlinear beam are determined through the power spectral density of the beam free-end time series. Given thatthis relatively simple model mimics at least in a qualitative way some key issues of the fluid-structure problem, it couldbe potentially useful for fatigue studies and vibration analysis of rotating blades in turbomachinery.

  14. Selective generation of two pulse modes in a single all normal dispersion fiber laser oscillator and analysis of their optical characteristics

    Science.gov (United States)

    Kim, S.; Choi, M.; Song, J. Y.; Lee, J. H.; Kim, Y.

    2017-02-01

    Fiber ultrafast pulses such as mode-locked and noise-like pulses have useful optical characteristics for high precision metrology applications. In this study, we develop an ytterbium doped fiber laser with all normal dispersion which can selectively generate two pulse modes, mode-locked and noise-like pulses, by a turn-key system including polarization control and selective detection parts. The spectral and temporal characteristics of two pulses generated from the single oscillator are analyzed and compared with each other through optical spectrum, RF spectrum and autocorrelation. Furthermore, spectral coherence characteristics are verified through interference signals generated by balanced and unbalanced arm interferometers.

  15. Analysis of Functional Motions in Brownian Molecular Machines with an Efficient Block Normal Mode Approach: Myosin-II and Ca2+-ATPase

    Science.gov (United States)

    Li, Guohui; Cui, Qiang

    2004-01-01

    The structural flexibilities of two molecular machines, myosin and Ca2+-ATPase, have been analyzed with normal mode analysis and discussed in the context of their energy conversion functions. The normal mode analysis with physical intermolecular interactions was made possible by an improved implementation of the block normal mode (BNM) approach. The BNM results clearly illustrated that the large-scale conformational transitions implicated in the functional cycles of the two motor systems can be largely captured with a small number of low-frequency normal modes. Therefore, the results support the idea that structural flexibility is an essential part of the construction principle of molecular motors through evolution. Such a feature is expected to be more prevalent in motor proteins than in simpler systems (e.g., signal transduction proteins) because in the former, large-scale conformational transitions often have to occur before the chemical events (e.g., ATP hydrolysis in myosin and ATP binding/phosphorylation in Ca2+-ATPase). This highlights the importance of Brownian motions associated with the protein domains that are involved in the functional transitions; in this sense, Brownian molecular machines is an appropriate description of molecular motors, although the normal mode results do not address the origin of the ratchet effect. The results also suggest that it might be more appropriate to describe functional transitions in some molecular motors as intrinsic elastic motions modulating local structural changes in the active site, which in turn gets stabilized by the subsequent chemical events, in contrast with the conventional idea of local changes somehow getting amplified into larger-scale motions. In the case of myosin, for example, we favor the idea that Brownian motions associated with the flexible converter propagates to the Switch I/II region, where the salt-bridge formation gets stabilized by ATP hydrolysis, in contrast with the textbook notion that ATP

  16. Age-related changes in ocular vestibular-evoked myogenic potentials via galvanic vestibular stimulation and bone-conducted vibration modes.

    Science.gov (United States)

    Chang, Chih-Ming; Young, Yi-Ho; Cheng, Po-Wen

    2012-12-01

    The age-related changes in ocular vestibular-evoked myogenic potentials (oVEMPs) elicited by galvanic vestibular stimulation (GVS) and bone-conducted vibration (BCV) might be attributed to the morphological degeneration of the vestibular system. This study employed GVS and BCV modes for eliciting oVEMPs in healthy subjects to explore the effect of aging on the vestibulo-ocular reflex (VOR) pathway. Sixty-nine healthy subjects (aged 22-69 years) were divided into 5 groups of 12-19 subjects by decades of age. All subjects underwent oVEMPs using GVS and BCV modes. The prevalence and parameters of oVEMPs, including nI latency, pI latency, nI-pI interval, and nI-pI amplitude were measured and compared. The prevalences of GVS-oVEMPs had nonsignificant differences among all age groups, whereas that of BCV-oVEMPs in the over-60 group was significantly lower than those in the under-60 groups. In GVS-oVEMPs, the group over 60 years had significantly longer nI, pI latencies, and smaller amplitudes when compared with those under 60 years. In BCV-oVEMPs, the nI and pI latencies in the over-60 group were significantly longer than those of the under-60 groups, while the nI-pI amplitudes of groups over 50 years were significantly smaller than those of groups under 50 years. All oVEMP parameters exhibited significant differences between GVS- and BCV-oVEMPs in each age group.

  17. 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.

  18. The effect of cobalt substitution in crystal structure and vibrational modes of CuFe{sub 2}O{sub 4} powders obtained by polymeric precursor method

    Energy Technology Data Exchange (ETDEWEB)

    Silva, M.D.P.; Silva, F.C. [Departamento de Química, CCET, Universidade Federal do Maranhão, 65085-580 São Luís, MA (Brazil); Sinfrônio, F.S.M. [Departamento de Engenharia Elétrica, CCET, Universidade Federal do Maranhão, 65085-580 São Luís, MA (Brazil); Paschoal, A.R. [Departamento de Física, Universidade Federal do Ceará, Campus do Pici, 60455-760 Fortaleza, CE (Brazil); Silva, E.N. [Departamento de Física, CCET, Universidade Federal do Maranhão, 65085-580 São Luís, MA (Brazil); Paschoal, C.W.A., E-mail: paschoal@ufma.br [Departamento de Física, CCET, Universidade Federal do Maranhão, 65085-580 São Luís, MA (Brazil); Department of Materials Science and Engineering, University of California Berkeley, 94720-1760 Berkeley, CA (United States); Department of Physics, University of California Berkeley, 94720-7300 Berkeley, CA (United States)

    2014-01-25

    Highlights: • We synthesized mixed spinels by polymeric precursor method. • We investigated the structural and vibrational properties of the mixed. • We investigated the synthesis condition effects in these properties. • We proposed a complete phonon description for CuFe{sub 2}O{sub 4} and CoFe{sub 2}O{sub 4} spinels. -- Abstract: In this work Co–Cu mixed spinel Co{sub 1−x}Cu{sub x}Fe{sub 2}O{sub 4} powders were obtained by polymeric precursors method at several annealing temperatures between 700 and 1200 °C. The samples were characterized by means of X-ray powder diffraction, confirming the ideal inverse spinel structure for CoFe{sub 2}O{sub 4} sample and the tetragonal distorted inverse spinel structure for CuFe{sub 2}O{sub 4} sample. Based on FWHM evaluation, we estimated that crystallite sizes varies between 27 and 37 nm for the non-substituted samples. The optical-active modes were determined by infrared and Raman spectroscopies. The phonon spectra showed a local tetragonal distortion for mixed samples.

  19. Extracting and Applying SV-SV Shear Modes from Vertical Vibrator Data Across Geothermal Prospects Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Hardage, Bob [Bureau of Economic Geology

    2013-07-01

    This 3-year project was terminated at the end of Year 1 because the DOE Geothermal project-evaluation committee decided one Milestone was not met and also concluded that our technology would not be successful. The Review Panel recommended a ?no-go? decision be implemented by DOE. The Principal Investigator and his research team disagreed with the conclusions reached by the DOE evaluation committee and wrote a scientifically based rebuttal to the erroneous claims made by the evaluators. We were not told if our arguments were presented to the people who evaluated our work and made the ?no-go? decision. Whatever the case regarding the information we supplied in rebuttal, we received an official letter from Laura Merrick, Contracting Officer at the Golden Field Office, dated June 11, 2013 in which we were informed that project funding would cease and instructed us to prepare a final report before September 5, 2013. In spite of the rebuttal arguments we presented to DOE, this official letter repeated the conclusions of the Review Panel that we had already proven to be incorrect. This is the final report that we are expected to deliver. The theme of this report will be another rebuttal of the technical deficiencies claimed by the DOE Geothermal Review Panel about the value and accomplishments of the work we did in Phase 1 of the project. The material in this report will present images made from direct-S modes produced by vertical-force sources using the software and research findings we developed in Phase 1 that the DOE Review Panel said would not be successful. We made these images in great haste when we were informed that DOE Geothermal rejected our rebuttal arguments and still regarded our technical work to be substandard. We thought it was more important to respond quickly rather than to take additional time to create better quality images than what we present in this Final Report.

  20. 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.

  1. Induced Current Measurement of Rod Vibrations

    Science.gov (United States)

    Sawicki, Charles A.

    2003-01-01

    The longitudinal normal modes of vibration of rods are similar to the modes seen in pipes open at both ends. A maximum of particle displacement exists at both ends and an integral number (n) of half wavelengths fit into the rod length. The frequencies fn of the normal modes is given by Eq. (1), where L is the rod length and V is the wave velocity: fn = nV/2L. Many methods have been used to measure the velocity of these waves. The Kundt's tube method commonly used in student labs will not be discussed here. A simpler related method has been described by Nicklin.2 Kluk3 measured velocities in a wide range of materials using a frequency counter and microphone to study sounds produced by impacts. Several earlier methods4,5 used phonograph cartridges complete with needles to detect vibrations in excited rods. A recent interesting experiment6 used wave-induced changes in magnetization produced in an iron rod by striking one end. The travel time, measured as the impulsive wave reflects back and forth, gave the wave velocity for the iron rod. In the method described here, a small magnet is attached to the rod with epoxy, and vibrations are detected using the current induced in a few loops of wire. The experiment is simple and yields very accurate velocity values.

  2. Modeling and Analysis of a Multi-Degree-of-Freedom Micro-Vibration Simulator

    Directory of Open Access Journals (Sweden)

    Xiaoming Wang

    2017-01-01

    Full Text Available To reproduce the disturbance forces and moments generated by the reaction/momentum wheel assembly, a multi-degree-of-freedom micro-vibration simulator is proposed. This can be used in the ground vibration experiments of an optical payload replacing the real action/momentum wheel assembly. First, the detailed structure of the micro-vibration simulator is introduced. Then, the complete system kinematic and dynamic models of the micro-vibration simulator are derived. In addition, the disturbance forces and moments produced by the micro-vibration simulator are calculated. Finally, the normal mode analysis and a cosimulation are adopted to verify the validity of this method. The analysis and simulation results show that the micro-vibration simulator can exactly reproduce the disturbance forces and moments with different amplitudes and different frequency ranges.

  3. The effects of solvent on the conformation and the collective motions of protein: Normal mode analysis and molecular dynamics simulations of melittin in water and in vacuum

    Science.gov (United States)

    Kitao, Akio; Hirata, Fumio; Gō, Nobuhiro

    1991-12-01

    The effects of solvent on the conformation and dynamics of protein is studied by computer simulation. The dynamics is studied by focusing mainly on collective motions of the protein molecule. Three types of simulation, normal mode analysis, molecular dynamics in vacuum, and molecular dynamics in water are applied to melittin, the major component of bee venom. To define collective motions principal, component analysis as well as normal mode analysis has been carried out. The principal components with large fluctuation amplitudes have a very good correspondence with the low-frequency normal modes. Trajectories of the molecular dynamics simulation are projected onto the principal axes. From the projected motions time correlation functions are calculated. The results indicate that the very-low-frequency modes, whose frequencies are less than ≈ 50 cm -1, are overdamping in water with relaxation times roushly twice as long as the period of the oscillatory motion. Effective Langevin mode analysis is carried out by using the friction coefficient matrix determined from the velocity correlation function calculated from the molecular dynamics trajectory in water. This analysis reproduces the results of the simulation in water reasonably well. The presence of the solvent water is found also to affect the shape of the potential energy surface in such a way that it produces many local minima with low-energy barriers in between, the envelope of which is given by the surface in vacuum. Inter-minimum transitions endow the conformational dynamics of proteins in water another diffusive character, which already exists in the intra-minimum collective motions.

  4. 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...

  5. Development of allometric equations to establish normal limits for M-mode echocardiographic measurements in the Italian population. Gruppo Ligure Della Società Italiana di Ecografia Cardiovascolare.

    Science.gov (United States)

    1996-05-01

    Despite general acceptance of the normal limits for M-mode echocardiographic measurements established in the U.S.A. in the late seventies, several studies have shown that those limits of normality have some limitations which restrict their use in clinical practice, and that these limits should be specific for the population that should be studied. To date, however, there is no reference method to calculate normal limits of M-mode echocardiographic measurements in the Italian population. 627 healthy volunteers (382 males, 245 females) ranging in age from 4 to 89 years, were prospectively examined, using two-dimensionally directed M-mode echocardiography, in 13 echocardiographic laboratories. End-diastolic and-systolic left ventricular diameters, interventricular septum and posterior wall thickness, end-diastolic aortic dimension and end-systolic left atrial diameter were measured following the recommendations of the American Society of Echocardiography. Age, gender, weight, height, heart rate and blood pressure were used as determinants of the echocardiographic measurements. The specificity of the resulting normal limits of echocardiographic measurements was then tested on an independent population of 145 normal subjects (92 males, 53 females) who were prospectively examined after the development of the model. Gender, age and weight were significant and independent determinants in nearly all the echocardiographic measurements performed. After logarithmic transformation of all the variables, we developed sex specific regression models which allow calculation of 95% prediction intervals for the cardiac chamber size and wall thickness, using an exponential multivariate regression model. Ninety-one percent of the echocardiographic measurements performed on the control population (range 84.6-94.1%) were correctly identified as normal using our model. Conversely, the specificity of the existing reference models developed in the U.S.A. or in the Netherlands identified

  6. Structural Stability and Vibration

    DEFF Research Database (Denmark)

    Wiggers, Sine Leergaard; Pedersen, Pauli

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

  7. Study of different HILIC, mixed-mode, and other aqueous normal-phase approaches for the liquid chromatography/mass spectrometry-based determination of challenging polar pesticides.

    Science.gov (United States)

    Vass, Andrea; Robles-Molina, José; Pérez-Ortega, Patricia; Gilbert-López, Bienvenida; Dernovics, Mihaly; Molina-Díaz, Antonio; García-Reyes, Juan F

    2016-07-01

    The aim of the study was to evaluate the performance of different chromatographic approaches for the liquid chromatography/mass spectrometry (LC-MS(/MS)) determination of 24 highly polar pesticides. The studied compounds, which are in most cases unsuitable for conventional LC-MS(/MS) multiresidue methods were tested with nine different chromatographic conditions, including two different hydrophilic interaction liquid chromatography (HILIC) columns, two zwitterionic-type mixed-mode columns, three normal-phase columns operated in HILIC-mode (bare silica and two silica-based chemically bonded columns (cyano and amino)), and two standard reversed-phase C18 columns. Different sets of chromatographic parameters in positive (for 17 analytes) and negative ionization modes (for nine analytes) were examined. In order to compare the different approaches, a semi-quantitative classification was proposed, calculated as the percentage of an empirical performance value, which consisted of three main features: (i) capacity factor (k) to characterize analyte separation from the void, (ii) relative response factor, and (iii) peak shape based on analytes' peak width. While no single method was able to provide appropriate detection of all the 24 studied species in a single run, the best suited approach for the compounds ionized in positive mode was based on a UHPLC HILIC column with 1.8 μm particle size, providing appropriate results for 22 out of the 24 species tested. In contrast, the detection of glyphosate and aminomethylphosphonic acid could only be achieved with a zwitterionic-type mixed-mode column, which proved to be suitable only for the pesticides detected in negative ion mode. Finally, the selected approach (UHPLC HILIC) was found to be useful for the determination of multiple pesticides in oranges using HILIC-ESI-MS/MS, with limits of quantitation in the low microgram per kilogram in most cases. Graphical Abstract HILIC improves separation of multiclass polar pesticides.

  8. 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

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

    Science.gov (United States)

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

    2007-11-01

    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/cm3.

  10. Reduction of timing jitter and intensity noise in normal-dispersion passively mode-locked fiber lasers by narrow band-pass filtering.

    Science.gov (United States)

    Qin, Peng; Song, Youjian; Kim, Hyoji; Shin, Junho; Kwon, Dohyeon; Hu, Minglie; Wang, Chingyue; Kim, Jungwon

    2014-11-17

    Fiber lasers mode-locked with normal cavity dispersion have recently attracted great attention due to large output pulse energy and femtosecond pulse duration. Here we accurately characterized the timing jitter of normal-dispersion fiber lasers using a balanced cross-correlation method. The timing jitter characterization experiments show that the timing jitter of normal-dispersion mode-locked fiber lasers can be significantly reduced by using narrow band-pass filtering (e.g., 7-nm bandwidth filtering in this work). We further identify that the timing jitter of the fiber laser is confined in a limited range, which is almost independent of cavity dispersion map due to the amplifier-similariton formation by insertion of the narrow bandpass filter. The lowest observed timing jitter reaches 0.57 fs (rms) integrated from 10 kHz to 10 MHz Fourier frequency. The rms relative intensity noise (RIN) is also reduced from 0.37% to 0.02% (integrated from 1 kHz to 5 MHz Fourier frequency) by the insertion of narrow band-pass filter.

  11. Normal modes excited by the 2010 Chile earthquake: no evidence for an ultra-slow component to the source (Invited)

    Science.gov (United States)

    Okal, E.; Hongsresawat, S.; Stein, S. A.

    2010-12-01

    With a CMT moment of 1.84E29 dyn*cm, the 2010 Maule, Chile earthquake is the second largest since the inception of modern digital recording, and the fourth (or fifth) largest to ever be quantified. Among the very selective group of such "mega-events", several earthquakes (1960 Chile, 2004 Sumatra, 1964 Alaska) have been shown to feature an ultra-slow component to their source, expressed as an increase in moment with the period of measurement, and the question has been raised of whether this behavior is a universal feature of the Earth's largest earthquakes. We study the source of the Maule earthquake through a quantification of the Earth's modes in the period range 600 - 3200 s, using the algorithm of Stein and Geller [1977] to model the full splitting of the gravest modes. Our results indicate that all spectral lines are compatible with the CMT moment (within a factor of 15%), and thus preclude the existence of a slow component to its source. In this respect, the event is most comparable to the 2005 Nias earthquake which had a similar moment, and incidentally, also featured a bilateral rupture. It also differs most significantly from the neighboring great 1960 event which was characterized by an extremely slow precursory component to its source.

  12. Raman active modes of NiSi crystal

    Energy Technology Data Exchange (ETDEWEB)

    Wan Li, E-mail: liwan_china@yahoo.com.c [Department of Physics, Wenzhou University (China); Tang Bo; Cheng Xinhong; Ren Yiming; Zhang Xuefei; Xu Dapeng; Luo Haijun; Huang Yunmi [Department of Physics, Wenzhou University (China)

    2009-08-01

    Raman scattering intensities of the NiSi Raman-active modes have been calculated with three Raman measurement configurations, which can be used for the symmetry assignment of the NiSi Raman peaks. Raman-active vibrations of the NiSi crystal have also been theoretically studied. Results show that the lattices with A{sub g} and B{sub 2g} modes vibrate only in the plane normal to the NiSi[0 1 0] direction while the lattices with B{sub 1g} and B{sub 3g} modes vibrate only along the NiSi[0 1 0] axis. Based on such study, the relationship between the anisotropic strain distribution in the NiSi thin film and the Raman peak shifts has been briefly discussed.

  13. Comment on "Antisymmetric resonant mode and negative refraction in double-ring resonators under normal-to-plane incidence".

    Science.gov (United States)

    Tung, Nguyen Thanh

    2011-03-01

    In a recent paper, Ding, Liang, Zhang, Zhou, and Yuan [Phys. Rev. E 79, 016604 (2009)] reported a negative refraction of double-ring resonator structure at the normal incidence based on an intrinsical electric and an antisymmetric resonances. We argue that the antisymmetric resonance does not respond to a negative permeability, and the left-handed nature comes from the single-negative refraction rather than the double-negative one.

  14. Assessment of the cardiovascular regulation during robotic assisted locomotion in normal subjects: autoregressive spectral analysis vs empirical mode decomposition.

    Science.gov (United States)

    Magagnin, V; Caiani, E G; Fusini, L; Turiel, M; Licari, V; Bo, I; Cerutti, S; Porta, A

    2008-01-01

    Robotic assisted locomotion systems are recently gaining appreciation as methods to rehabilitate individuals with lost sensory motor function. In the present study we compare autoregressive power spectral analysis and empirical mode decomposition (EMD) applied to the analysis of short-term heart period variability regarding their ability to typify autonomic response during a robotic assisted locomotion session consisting in the following phases: 1) sitting position; 2) standing position; 3) suspension during subject instrumentation; 4) robotic assisted treadmill locomotion with partial body weight support; 5) standing recovery after exercise. Results showed a significant tachycardia during the suspension phase, but no significant changes of spectral indexes. On the contrary, when spectral indexes were derived according to EMD, changes were evidenced during the suspension and walking phases. The EMD method is more powerful than autoregressive spectral analysis in detecting variations of parasympathetic and sympathetic modulations elicited by a robotic-assisted locomotion protocol.

  15. Three-dimensional integral equation approach to light scattering, extinction cross sections, local density of states, and quasi-normal modes

    DEFF Research Database (Denmark)

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

    2013-01-01

    scatterers in a homogeneous background medium. In addition, we show how several physically important quantities may readily be calculated with the formalism. These quantities include the extinction cross section, the total Green’s tensor, the projected local density of states, and the Purcell factor as well...... as the quasi-normal modes of leaky resonators with the associated resonance frequencies and quality factors. We demonstrate the calculations for the well-known plasmonic dimer consisting of two silver nanoparticles and thus illustrate the versatility of the formalism for use in modeling of advanced...

  16. Vibrational spectra and DFT calculations of sonderianin diterpene

    Science.gov (United States)

    Oliveira, I. M. M.; Santos, H. S.; Sena, D. M.; Cruz, B. G.; Teixeira, A. M. R.; Freire, P. T. C.; Braz-Filho, R.; Sousa, J. W.; Albuquerque, M. R. J. R.; Bandeira, P. N.; Bernardino, A. C. S. S.; Gusmão, G. O. M.; Bento, R. R. F.

    2015-11-01

    In the present study, the natural product sonderianin diterpene (C21H26O4), a diterpenoid isolated from Croton blanchetianus, with potential application in the drug industry, was characterized by nuclear magnetic resonance, infrared and Raman spectroscopy. Vibrational spectra were supported by Density Functional Theory calculations. Infrared and Raman spectra of sonderianin were recorded at ambient temperature in the regions from 400 cm-1 to 3600 cm-1 and from 40 cm-1 to 3500 cm-1, respectively. DFT calculations with the hybrid functional B3LYP and the basis set 6-31 G(d,p) were performed with the purpose of obtaining information on the structural and vibrational properties of this organic compound. A comparison with experimental spectra allowed us to assign all of the normal modes of the crystal. The assignment of the normal modes was carried out by means of potential energy distribution.

  17. Vibrational analysis of amino acids: cysteine, serine, β-chloroalanine

    Science.gov (United States)

    Susi, Heino; Byler, D. Michael; Gerasimowicz, Walter V.

    1983-10-01

    Normal coordinate calculations were carried out involving a total of seven isotopically substituted analogs of the amino acids cysteine, serine, and β-chloroalanine. Raman spectra were obtained for polycrystalline β-chloroalanine and the ND 3 analog. Overlay calculations were employed to obtain 55 force constants which reproduce 206 observed frequencies of seven molecules with an average error of ca. 9 cm -1. The valence force field used was based on local symmetry coordinates. Band assignments were based on the potential energy distribution. About 60% of the normal modes of the seven isotopomers can be called group vibrations by the PED criterion. Most skeletal stretching and bending vibrations are highly mixed and cannot be assigned to individual bond stretching or angle deformation modes.

  18. Vibrating soap films An analog for quantum chaos on billiards

    CERN Document Server

    Arcos, E; Cuatlayol, P A; Prian, M L H; Méndez-Sánchez, R A; Hernández-Saldaña, H

    1998-01-01

    We present an experimental setup based on the normal modes of vibrating soap films which shows quantum features of integrable and chaotic billiards. In particular, we obtain the so-called scars -narrow linear regions with high probability along classical periodic orbits- for the classically chaotic billiards. We show that these scars are also visible at low frequencies. Finally, we suggest some applications of our experimental setup in other related two-dimensional wave phenomena.

  19. Transverse Vibrations of Clamped and Simply-Supported Circular Plates with Two Dimensional Thickness Variation

    Directory of Open Access Journals (Sweden)

    N. Bhardwaj

    2012-01-01

    Full Text Available Two dimensional boundary characteristic orthonormal polynomials are used in the Ritz method for the vibration analysis of clamped and simply-supported circular plates of varying thickness. The thickness variation in the radial direction is linear whereas in the circumferential direction the thickness varies according to cos kθ, where k is an integer. In order to verify the validity, convergence and accuracy of the results, comparison studies are made against existing results for the special case of linearly tapered thickness plates. Variations in frequencies for the first six normal modes of vibration and mode shapes for various taper parameters are presented.

  20. 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...

  1. Cardiac Time Intervals by Tissue Doppler Imaging M-Mode: Normal Values and Association with Established Echocardiographic and Invasive Measures of Systolic and Diastolic Function.

    Directory of Open Access Journals (Sweden)

    Tor Biering-Sørensen

    Full Text Available To define normal values of the cardiac time intervals obtained by tissue Doppler imaging (TDI M-mode through the mitral valve (MV. Furthermore, to evaluate the association of the myocardial performance index (MPI obtained by TDI M-mode (MPITDI and the conventional method of obtaining MPI (MPIConv, with established echocardiographic and invasive measures of systolic and diastolic function.In a large community based population study (n = 974, where all are free of any cardiovascular disease and cardiovascular risk factors, cardiac time intervals, including isovolumic relaxation time (IVRT, isovolumic contraction time (IVCT, and ejection time (ET were obtained by TDI M-mode through the MV. IVCT/ET, IVRT/ET and the MPI ((IVRT+IVCT/ET were calculated. We also included a validation population (n = 44 of patients who underwent left heart catheterization and had the MPITDI and MPIConv measured.IVRT, IVRT/ET and MPI all increased significantly with increasing age in both genders (p<0.001 for all. IVCT, ET, IVRT/ET, and MPI differed significantly between males and females, displaying that women, in general exhibit better cardiac function. MPITDI was significantly associated with invasive (dP/dt max and echocardiographic measures of systolic (LVEF, global longitudinal strain and global strainrate s and diastolic function (e', global strainrate e(p<0.05 for all, whereas MPIConv was significantly associated with LVEF, e' and global strainrate e (p<0.05 for all.Normal values of cardiac time intervals differed between genders and deteriorated with increasing age. The MPITDI (but not MPIConv is associated with most invasive and established echocardiographic measures of systolic and diastolic function.

  2. 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.

  3. Vibrational entropy differences between mesophile and thermophile proteins and their use in protein engineering.

    Science.gov (United States)

    Frappier, Vincent; Najmanovich, Rafael

    2015-04-01

    We recently introduced ENCoM, an elastic network atomic contact model, as the first coarse-grained normal mode analysis method that accounts for the nature of amino acids and can predict the effect of mutations on thermostability based on changes vibrational entropy. In this proof-of-concept article, we use pairs of mesophile and thermophile homolog proteins with identical structures to determine if a measure of vibrational entropy based on normal mode analysis can discriminate thermophile from mesophile proteins. We observe that in around 60% of cases, thermophile proteins are more rigid at equivalent temperatures than their mesophile counterpart and this difference can guide the design of proteins to increase their thermostability through series of mutations. We observe that mutations separating thermophile proteins from their mesophile orthologs contribute independently to a decrease in vibrational entropy and discuss the application and implications of this methodology to protein engineering. © 2014 The Protein Society.

  4. Normal coordinate analysis, molecular structure, vibrational and electronic spectral investigation of 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione by ab initio HF and DFT method

    Science.gov (United States)

    Prabakaran, A.; Muthu, S.

    2014-01-01

    In the present work, the characterization of 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione (7DDMP26D) molecule was carried out by quantum chemical method and vibrational spectral techniques. The FT-IR (4000-400 cm-1) and FT-Raman (4000-100 cm-1) spectra of 7DDMP26D were recorded in solid phase. The UV-Vis absorption spectrum of the 7DDMP26D was recorded in the range of 200-400 nm. The molecular geometry, harmonic vibrational frequencies and bonding features of 7DDMP26D in the ground state have been calculated by HF and DFT methods using 6-31G(d,p) basis set. The complete vibrational frequency assignments were made by normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMF). The molecular stability and bond strength were investigated by applying the natural bond orbital analysis (NBO). The electronic properties, such as excitation energies, absorption wavelength, HOMO and LUMO energies were performed by time-depended DFT (TD-DFT) approach. The other molecular properties like electrostatic potential (ESP), Fukui function and thermodynamic properties of the title compound at different temperatures have been calculated. Finally, the calculation results were analyzed to simulate infrared, FT-Raman and UV spectra of the title compound which shows better agreement with observed spectra.

  5. Experimental and numerical investigations of vibration characteristics for parallel-type and series-type triple-layered piezoceramic bimorphs.

    Science.gov (United States)

    Huang, Yu-Hsi; Ma, Chien-Ching

    2009-12-01

    The dynamic characteristics of parallel-type and series-type piezoelectric bimorphs are analyzed in this study. The transverse (out-of-plane) and planar (in-plane) vibrations for piezoceramic bimorphs in normal and abnormal connections are investigated experimentally by 2 noncontact optical techniques and impedance analyzer. Electronic speckle pattern interferometry (ESPI) is the major experimental technique for measuring the resonant frequency and corresponding vibration mode shape. Out-of-plane and in-plane vibrations of piezoelectric bimorphs at resonance are obtained by a self-arranged ESPI optical setup. The laser Doppler vibrometer (LDV) is a point-wise measurement technique for out-of-plane displacement and is used to determine the out-of-plane resonant frequencies. The impedance analyzer is used to measure the resonant frequencies for in-plane motions. It is noted from the experimental results that the out-of-plane modes are the dominant motion for the normal connection and only symmetric vibration mode shapes can be excited. The in-plane motions are large enough to be measured using the ESPI method for normal connections. The in-plane resonant modes are observed for parallel-type piezoelectric bimorph in parallel connections; however, the in-plane mode shapes are similar to the out-of-plane mode shapes for the series-type piezoelectric bimorph in series connection. Hence, the particle motions of the piezoelectric bimorph at resonance are essentially 3-D for the normal connection. It is interesting to note that both symmetric and asymmetric out-of-plane vibration mode shapes can be excited with large applied voltage but no in-plane motion is observed for the abnormal connection. In addition to experimental methods, numerical computations based on the finite element method are used to verify the experimental results. Good agreements of the resonant frequencies and mode shapes are obtained for experimental and numerical results.

  6. Mode damping in a commensurate monolayer solid

    DEFF Research Database (Denmark)

    Bruch, Ludwig Walter; Hansen, Flemming Yssing

    1997-01-01

    The normal modes of a commensurate monolayer solid may be damped by mixing with elastic waves of the substrate. This was shown by Hall, Mills, and Black [Phys. Rev. B 32, 4932 (1985)], for perpendicular adsorbate vibrations in the presence of an isotropic elastic medium. That work is generalized...... anisotropy of the elastic behavior of the graphite leads to quite different wave-vector dependence of the damping for modes polarized perpendicular and parallel to the substrate. A phenomenological extension of the elasticity theory of the graphite to include bond-bending energies improves the description...

  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. Resonant vibration control of rotating beams

    DEFF Research Database (Denmark)

    Svendsen, Martin Nymann; Krenk, Steen; Høgsberg, Jan Becker

    2011-01-01

    Rotatingstructures,like e.g.wind turbine blades, may be prone to vibrations associated with particular modes of vibration. It is demonstrated, how this type of vibrations can be reduced by using a collocated sensor–actuator system, governed by a resonant controller. The theory is here demonstrated...... modal connectivity, only very limited modal spill-over is generated. The controller acts by resonance and therefore has only a moderate energy consumption, and successfully reduces modal vibrations at the resonance frequency....

  9. 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.

  10. Vibration Attenuation of Plate Using Multiple Vibration Absorbers

    Directory of Open Access Journals (Sweden)

    Zaman Izzuddin

    2014-07-01

    Full Text Available Vibrations are undesired phenomenon and it can cause harm, distress and unsettling influence to the systems or structures, for example, aircraft, automobile, machinery and building. One of the approach to limit this vibration by introducing passive vibration absorber attached to the structure. In this paper, the adequacy of utilizing passive vibration absorbers are investigated. The vibration absorber system is designed to minimize the vibration of a thin plate fixed along edges. The plate’s vibration characteristics, such as, natural frequency and mode shape are determined using three techniques: theoretical equations, finite element (FE analysis and experiment. The results demonstrate that the first four natural frequencies of fixed-fixed ends plate are 48, 121, 193 and 242 Hz, and these results are corroborated well with theoretical, FE simulation and experiment. The experiment work is further carried out with attached single and multiple vibration absorbers onto plate by tuning the absorber’s frequency to match with the excitation frequency. The outcomes depict that multiple vibration absorbers are more viable in lessening the global structural vibration.

  11. A normal mode summation process and a frequency harmonic process for the modelling, recompression and migration of dispersive seismic surveys. Eine Normalmodensummations- und ein Frequenz-Wellenzahl-Verfahren zur Modellierung, Rekompression und Migration dispersiver Floezwellen

    Energy Technology Data Exchange (ETDEWEB)

    Breitzke, M.

    1990-02-09

    A normal mode summation process and a frequency harmonic process for the modelling, recomposition and migration of dispersive seismic surveys. The use of underground seismic surveys to locate seams and to position small techtonic or atechtonic faults predominantly used in coal mining requires, because of the dispersive seismic waves, special computer processing. This work is concerned with two such techniques. The first is a normal mode summation process for modelling and recompression, this means the time-dependent deconvolution of dispersive waves from underground transmission data with any number of superimposed modes. The second is a recursive frequency harmonics migration process for dispersive waves from underground reflexion data. (orig.).

  12. Vibrational Relaxation in Neat Crystals of Naphthalene by Picosecond CARS

    NARCIS (Netherlands)

    Hesp, Ben H.; Wiersma, Douwe A.

    1980-01-01

    Picosecond delayed CARS experiments on totally symmetric modes in naphthalene at 1.5 K are reported. The Raman lineshape of the vibrational excitons is lorentzian and vibrational relaxation can be surprisingly slow. The Raman lineshape of the Ag exciton level of the 766 cm-1 vibrational mode reveals

  13. The KRAKEN Normal Mode Program

    Science.gov (United States)

    1992-05-22

    Gaussian beam tracing referred to as geometric beam tracing. For those familiar with tradi- tional implementations of ray tracing, the results are often...and Homer P. Bucker, " Gaussian beam tracing for computing ocean acoustic fields," J. Acoust. Soc. Amer. 82, 1349-1359 (1987). The following programs...are used with BELLHOP: BELLHOP Main program for doing Gaussian beam tracing PLOTRAY Produces plots of central rays of beams ANGLES Given the source and

  14. 14 CFR 27.907 - Engine vibration.

    Science.gov (United States)

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Engine vibration. 27.907 Section 27.907... STANDARDS: NORMAL CATEGORY ROTORCRAFT Powerplant General § 27.907 Engine vibration. (a) Each engine must be installed to prevent the harmful vibration of any part of the engine or rotorcraft. (b) The addition of the...

  15. 14 CFR 27.251 - Vibration.

    Science.gov (United States)

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Vibration. 27.251 Section 27.251... STANDARDS: NORMAL CATEGORY ROTORCRAFT Flight Miscellaneous Flight Requirements § 27.251 Vibration. Each part of the rotorcraft must be free from excessive vibration under each appropriate speed and power...

  16. Multiple Rabi Splittings under Ultrastrong Vibrational Coupling.

    Science.gov (United States)

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

    2016-10-07

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

  17. 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.

  18. Normal coordinate analysis and vibrational spectroscopy (FT-IR and FT-Raman) studies of (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid using ab initio HF and DFT method

    Science.gov (United States)

    Prabakaran, A.; Muthu, S.

    2012-12-01

    The FT-IR and FT-Raman spectra of (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid (2ADMA) were recorded in the region 4000-400 cm-1 and 4000-100 cm-1, respectively. The geometrical structure, harmonic vibrational frequency, infrared intensity, Raman activities and bonding features of this compound was carried out by ab initio HF and DFT methods with 6-31G (d,p) basis set. The complete vibrational frequency assignments were made by normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMF). The electric dipole moment (μ) and the first-order hyperpolarizability (β0) values have been the computed quantum mechanically. The calculated HOMO and LUMO energies show that, the charge transfer occurs within the molecule. The charge delocalizations of these molecules have been analyzed using NBO analysis. The solvent effects have been calculated using TD-DFT in combination with the polarized continuum model (PCM), and the results are in good agreement with experimental measurements. The other molecular properties like Mulliken population analysis, electrostatic potential (ESP) and thermodynamic properties of the title compound at the different temperatures have been calculated. Finally, the calculation results were applied to simulate infrared and Raman spectra of the title compound which shows good agreement with observed spectra.

  19. 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...

  20. Ultrafast vibrational population transfer dynamics in 2-acetylcyclopentanone studied by 2D IR spectroscopy.

    Science.gov (United States)

    Park, Sungnam; Ji, Minbiao

    2011-03-14

    2-Acetylcyclopentanone (2-ACP), which is a β-dicarbonyl compound, undergoes keto-enol isomerization, and its enol tautomers are stabilized by a cyclic intramolecular hydrogen bond. 2-ACP (keto form) has symmetric and asymmetric vibrational modes of the two carbonyl groups at 1748 and 1715 cm(-1) , respectively, which are well separated from the carbonyl modes of its enol tautomers in the FTIR spectrum. We have investigated 2-ACP dissolved in carbon tetrachloride by 2D IR spectroscopy and IR pump-probe spectroscopy. Vibrational population transfer dynamics between the two carbonyl modes were observed by 2D IR spectroscopy. To extract the population exchange dynamics (i.e., the down- and uphill population transfer rate constants), we used the normalized volumes of the cross-peaks with respect to the diagonal peaks at the same emission frequency and the survival and conditional probability functions. As expected, the downhill population transfer time constant (3.2 ps) was measured to be smaller than the uphill population transfer time constant (3.8 ps). In addition, the vibrational population relaxation dynamics of the two carbonyl modes were observed to be the same within the experimental error and were found to be much slower than vibrational population transfer between two carbonyl modes. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. First principles study of vibrational dynamics of ceria-titania hybrid clusters

    Science.gov (United States)

    Majid, Abdul; Bibi, Maryam

    2017-04-01

    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 TiO2, whereas two IR active and one Raman active modes were observed for CeO2. The comparative analysis indicates that the hybrid cluster CeTiO4 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 CeTiO4 to tailor its properties for technological visible region applications in photocatalytic and electrochemical devices.

  2. Analytical and experimental studies of natural vibrations modes of ring-stiffened truncated-cone shells with variable theoretical ring fixity

    Science.gov (United States)

    Naumann, E. C.; Catherines, D. S.; Walton, W. C., Jr.

    1971-01-01

    Experimental and analytical investigations of the vibratory behavior of ring-stiffened truncated-cone shells are described. Vibration tests were conducted on 60 deg conical shells having up to four ring stiffeners and for free-free and clamped-free edge constraints and 9 deg conical shells, for two thicknesses, each with two angle rings and for free-free, free-clamped, and clamped-clamped edge constraints. The analytical method is based on linear thin shell theory, employing the Rayleigh-Ritz method. Discrete rings are represented as composed of one or more segments, each of which is a short truncated-cone shell of uniform thickness. Equations of constraint are used to join a ring and shell along a circumferential line connection. Excellent agreement was obtained for comparisons of experimental and calculated frequencies.

  3. The Soleil View on Prototypical Organic Nitriles: Selected Vibrational Modes of Ethyl Cyanide, C_2H_5CN, and Spectroscopic Analysis Using AN Automated Spectral Assignment Procedure (asap)

    Science.gov (United States)

    Endres, Christian; Caselli, Paola; Martin-Drumel, Marie-Aline; McCarthy, Michael C.; Pirali, Olivier; Wehres, Nadine; Schlemmer, Stephan; Thorwirth, Sven

    2016-06-01

    Vibrational spectra of small organic nitriles, propionitrile and n-butyronitrile, have been investigated at high spectral resolution at the French national synchroton facility SOLEIL using Fourier-transform far-infrared spectroscopy (< 700 cm-1). The Automated Spectral Assignment Procedure (ASAP) has been used for line assignement and accurate determination of rotational level energies, in particular, of the ν20=1 and the ν12=1 states of propionitrile. The analysis does not only confirm the applicability of the ASAP in the treatment of (dense) high-resolution infrared spectra but also reveals some of its limitations which will be discussed in some detail. M. A. Martin-Drumel, C. P. Endres, O. Zingsheim, T. Salomon, J. van Wijngaarden, O. Pirali, S. Gruet, F. Lewen, S. Schlemmer, M. C. McCarthy, and S. Thorwirth 2015, J. Mol. Spectrosc. 315, 72

  4. Microbubble Surface Modes

    NARCIS (Netherlands)

    Versluis, Michel; Palanchon, P.; Goertz, D.; van der Meer, S.M.; Chin, C.T.; Lohse, Detlef; de Jong, N.

    2004-01-01

    We have investigated surface vibrations generated by ultrasound excitation of individual unencapsulated micron-sized bubbles. In addition, we present surface modes (n=2 and 3) observed for phospholipid-coated ultrasound contrast agents excited through excitation of radial modes at frequencies

  5. Blade Vibration Measurement System

    Science.gov (United States)

    Platt, Michael J.

    2014-01-01

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

  6. Optical properties of a vibrationally modulated solid state Mott insulator.

    Science.gov (United States)

    Kaiser, S; Clark, S R; Nicoletti, D; Cotugno, G; Tobey, R I; Dean, N; Lupi, S; Okamoto, H; Hasegawa, T; Jaksch, D; Cavalleri, A

    2014-01-22

    Optical pulses at THz and mid-infrared frequencies tuned to specific vibrational resonances modulate the lattice along chosen normal mode coordinates. In this way, solids can be switched between competing electronic phases and new states are created. Here, we use vibrational modulation to make electronic interactions (Hubbard-U) in Mott-insulator time dependent. Mid-infrared optical pulses excite localized molecular vibrations in ET-F2TCNQ, a prototypical one-dimensional Mott-insulator. A broadband ultrafast probe interrogates the resulting optical spectrum between THz and visible frequencies. A red-shifted charge-transfer resonance is observed, consistent with a time-averaged reduction of the electronic correlation strength U. Secondly, a sideband manifold inside of the Mott-gap appears, resulting from a periodically modulated U. The response is compared to computations based on a quantum-modulated dynamic Hubbard model. Heuristic fitting suggests asymmetric holon-doublon coupling to the molecules and that electron double-occupancies strongly squeeze the vibrational mode.

  7. Vibrational analysis of L-alanine and deuterated analogs

    Science.gov (United States)

    Susi, Heino; Byler, D. Michael

    1980-05-01

    Raman spectra of the polycrystalline L-alanine analogs CH 3CH(NH +3)COO -, CH 3CH(ND +3)-COO -, CD 3CD(NH +3)COO -, and CD 3CD(ND +3)COO - have been obtained. A normal coordinate analysis is carried out based on the experimental frequencies of the four isotopic analogs and a 34 parameter valence-type force field defined in terms of local symmetry coordinates. The final refinement, in which five stretching force constants are constrained to fixed values obtained from bond length data, results in an average error of 7 cm -1 (0.9%) for the observed frequencies of the four isotopically substituted molecules. Band assignments are given in terms of the potential energy distribution for local symmetry coordinates. For non-deuterated L-alanine, the vibrations above 1420 cm -1 and below 950 cm -1 may be described as localized group vibrations. By contrast, the eight modes in the middle frequency range, viz. the three skeletal stretching, the COO - symmetric stretching, one NH +3 rocking, the symmetric CH 3 deformation, and the two methyne CH deformation vibrations, are very strongly coupled to one another. Some decoupling appears to take place in the perdeutero molecule, and all but five modes can be described as localized group vibrations.

  8. Vibrational Probes: From Small Molecule Solvatochromism Theory and Experiments to Applications in Complex Systems.

    Science.gov (United States)

    Błasiak, Bartosz; Londergan, Casey H; Webb, Lauren J; Cho, Minhaeng

    2017-04-18

    The vibrational frequency of a chosen normal mode is one of the most accurately measurable spectroscopic properties of molecules in condensed phases. Accordingly, infrared absorption and Raman scattering spectroscopy have provided valuable information on both distributions and ensemble-average values of molecular vibrational frequencies, and these frequencies are now routinely used to investigate structure, conformation, and even absolute configuration of chemical and biological molecules of interest. Recent advancements in coherent time-domain nonlinear vibrational spectroscopy have allowed the study of heterogeneous distributions of local structures and thermally driven ultrafast fluctuations of vibrational frequencies. To fully utilize IR probe functional groups for quantitative bioassays, a variety of biological and chemical techniques have been developed to site-specifically introduce vibrational probe groups into proteins and nucleic acids. These IR-probe-labeled biomolecules and chemically reactive systems are subject to linear and nonlinear vibrational spectroscopic investigations and provide information on the local electric field, conformational changes, site-site protein contacts, and/or function-defining features of biomolecules. A rapidly expanding library of data from such experiments requires an interpretive method with atom-level chemical accuracy. However, despite prolonged efforts to develop an all-encompassing theory for describing vibrational solvatochromism and electrochromism as well as dynamic fluctuations of instantaneous vibrational frequencies, purely empirical and highly approximate theoretical models have often been used to interpret experimental results. They are, in many cases, based on the simple assumption that the vibrational frequency of an IR reporter is solely dictated by electric potential or field distribution around the vibrational chromophore. Such simplified description of vibrational solvatochromism generally referred to as

  9. 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.

  10. Experimental Studies of the Collisional Excitation of Infrared Active Vibrational Stretch Modes in CO2 and H2O with an Intersecting, Hyperthermal Molecular Beam Apparatus. Volume 1

    Science.gov (United States)

    1975-02-01

    thoumgh the pinhole into the diverging -:tine bhown in Fig. 4 and then on into the coiicon chai her. The remaining flow is pumped out through an anular ...molecules are prepared under single collision conditions in opposed high velocity flows , one of which contains H20 or CO2 while the other contains a...molecular collision partner. Hyperthermal vclocity flows are required since the threshold activation energy of the 11 0 and CO V modes are 0. 466 and

  11. Monitoring vibrations

    Energy Technology Data Exchange (ETDEWEB)

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

    2003-12-01

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

  12. Ultrafast electronic relaxation and vibrational dynamics in a polyacetylene derivative

    Science.gov (United States)

    Kobayashi, Takayoshi; Iiyama, Tsugumasa; Okamura, Kotaro; Du, Juan; Masuda, Toshio

    2013-04-01

    Real-time vibrational spectra in a polyacetylene derivative, poly[o-TFMPA([o-(trifluoromethyl) phenyl]acetylene)] in a broad electronic spectral region were observed using a sub-7-fs laser. Using the frequencies and initial phases of vibrational modes obtained by the spectroscopy, the assignment of the wavepackets was made. From the first moment, Huang-Rhys parameters were determined for six most prominent modes, which characterize the potential hypersurface composed of multi-dimensional vibrational mode spaces.

  13. Ambient Vibration Test on Reinforced Concrete Bridges

    Directory of Open Access Journals (Sweden)

    Idris Nurul Shazwin

    2016-01-01

    Full Text Available An investigation was carried out to determine dynamic characteristic of reinforced concrete (RC bridges by using ambient vibration test (AVT. The ambient vibration sources on bridges may come from traffic, wind, wave motion and seismic events. AVT describes the dynamic characteristics of the bridge and ground by measuring the natural frequencies using highly sensitive seismometer sensor. This test is beneficial due to light weight equipment and smaller number of operator required, cheap and easy to be handled. It is able to give a true picture of the bridge dynamic behavior without any artificial force excitation when vibration data is recorded. A three-span reinforced concrete bridge located in Sri Medan, Batu Pahat, Johor was measured by using microtremor equipment consist of three units of 1 Hz eigenfrequency passive sensors used in this test was performed in normal operating condition without excitation required from any active sources or short period noise perturbations. Ten measurements were conducted on the bridge deck and ten measurements on the ground surface in order to identify the natural frequencies of the bridge. Several peak frequencies were identified from three components of Fourier Amplitude Spectra (FAS in transverse (North-South, longitudinal (East-West and vertical (Up-Down direction as well as squared average Horizontal to Vertical Spectral Ratio (HVSR of ground response, computed by using Geopsy software. From the result, it was expected the bridge have five vibration modes frequencies in the range of 1.0 Hz and 7.0 Hz with the first two modes in the transverse and longitudinal direction having a frequency 1.0 Hz, the third mode is 2.2 Hz in transverse direction, fourth and fifth mode is 5.8 Hz and 7.0 Hz. For ground natural frequencies are in range 1.0 Hz to 1.3 Hz for North-South direction and 1.0 Hz to 1.6 Hz for East-West direction. Finally the results are compared with several empirical formulas for simple

  14. 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.

  15. Vibrational properties of organic donor-acceptor molecular crystals: Anthracene-pyromellitic-dianhydride (PMDA) as a case study

    Energy Technology Data Exchange (ETDEWEB)

    Fonari, A.; Corbin, N. S.; Coropceanu, V., E-mail: jean-luc.bredas@kaust.edu.sa, E-mail: coropceanu@gatech.edu [School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics, Georgia Institute of Technology, Atlanta, Georgia 30332-0400 (United States); Vermeulen, D.; McNeil, L. E. [Department of Physics and Astronomy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599-3255 (United States); Goetz, K. P.; Jurchescu, O. D. [Department of Physics, Wake Forest University, Winston-Salem, North Carolina 27109-7507 (United States); Bredas, J. L., E-mail: jean-luc.bredas@kaust.edu.sa, E-mail: coropceanu@gatech.edu [School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics, Georgia Institute of Technology, Atlanta, Georgia 30332-0400 (United States); Solar and Photovoltaics Engineering Research Center, Division of Physical Science and Engineering, King Abdullah University of Science and Technology, Thuwal 23955-6900 (Saudi Arabia)

    2015-12-14

    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 theoretical Raman 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.

  16. Hierarchies of intramolecular vibration-rotation dynamical processes in acetylene up to 13,000 cm-1

    Science.gov (United States)

    Perry, David S.; Martens, Jonathan; Amyay, Badr; Herman, Michel

    2012-11-01

    The vibration-rotation dynamics of ? acetylene are computed from a spectroscopic Hamiltonian with 468 parameters fit to 19,582 vibration-rotation transitions up to 13,000 cm-1 of vibrational energy. In this energy range, both the bending and the CH stretching vibrations can reach large amplitudes, but the maximum energy remains below the threshold for isomerization to vinylidene. In contrast to the behavior at energies below 5000 cm-1 [Mol. Phys. 108, 1115 (2010)], excitation of single bright states leads, in almost all cases, to computed intramolecular vibrational redistribution (IVR) that is irreversible on the timescales investigated. Hierarchies of IVR processes on timescales ranging from 20 fs to 20 ps result when different bright states are excited. Different parts of the vibrational quantum number space are explored as a result of the four different classes of coupling terms: vibrational l-type resonance, anharmonic resonances, the rotational l-type resonance, and Coriolis couplings. The initial IVR rates are very different depending on whether the bright states are bending states or stretching states, normal modes or local modes, edge states or interior states. However, the rates of the rotationally mediated couplings do not depend substantially on these distinctions.

  17. 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.

  18. Performance of nonlinear mechanical, resonant-shunted piezoelectric, and electronic vibration absorbers for multi-degree-of-freedom structures

    Science.gov (United States)

    Agnes, Gregory Stephen

    Linear vibration absorbers are a valuable tool used to suppress vibrations due to harmonic excitation in structural systems. Limited evaluation of the performance of nonlinear vibration absorbers for nonlinear structures exists in the current literature. The state of the art is extended in this work to vibration absorbers in their three major physical implementations: the mechanical vibration absorber, the inductive-resistive shunted piezoelectric vibration absorber, and the electronic vibration absorber (also denoted a positive position feedback controller). A single, consistent, physically similar model capable of examining the response of all three devices is developed. The performance of vibration absorbers attached to single-degree-of-freedom structures is next examined for performance, robustness, and stability. Perturbation techniques and numerical analysis combine to yield insight into the tuning of nonlinear vibration absorbers for both linear and nonlinear structures. The results both clarify and validate the existing literature on mechanical vibration absorbers. Several new results, including an analytical expression for the suppression region's location and bandwidth and requirements for its robust performance, are derived. Nonlinear multiple-degree-of-freedom structures are next evaluated. The theory of Non-linear Normal Modes is extended to include consideration of modal damping, excitation, and small linear coupling, allowing estimation of vibration absorber performance. The dynamics of the N+1-degree-of-freedom system reduce to those of a two-degree-of-freedom system on a four-dimensional nonlinear modal manifold, thereby simplifying the analysis. Quantitative agreement is shown to require a higher order model which is recommended for future investigation. Finally, experimental investigation on both single and multi-degree-of-freedom systems is performed since few experiments on this topic are reported in the literature. The experimental results

  19. 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 .

  20. 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.

  1. Vibrational Diver

    Science.gov (United States)

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

    2014-10-01

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

  2. Concepts for a theoretical and experimental study of lifting rotor random loads and vibrations (further experiments with progressing/regressing rotor flapping modes), Phase 7-C

    Science.gov (United States)

    Hohenemser, K. H.; Crews, S. T.

    1973-01-01

    The experiments with progressing/regressing forced rotor flapping modes have been extended in several directions and the data processing method has been considerably refined. The 16 inch hingeless 2-bladed rotor model was equipped with a new set of high precision blades which removed previously encountered tracking difficulties at high advance ratio, so that tests up to .8 rotor advance ratio could be conducted. In addition to data with 1.20 blade natural flapping frequency data at 1.10 flapping frequency were obtained. Outside the wind tunnel, tests with a ground plate located at different distances below the rotor were conducted while recording the dynamic downflow at a station .2R below the rotor plane with a hot wire anemometer.

  3. 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.

  4. Shaft mode shape demonstration

    Science.gov (United States)

    Grissom, R.

    1985-01-01

    The dynamic response of a rotating machine is directly influenced by its geometric configuration and all aspects of the rotor construction. These determine two significant parameters, mass distribution and stiffness, which yield a spectrum of natural frequencies and mode shapes. The mode shapes can be presented as snapshots of the characteristic amplitude/phase reponse patterns of the shaft, due to the major forcing function of unbalance, at different rotative speeds. To demonstrate the three shaft mode shapes of the rotor rig using the Shaft Mode Demonstrator and oscilloscopes. The synchronous (1X) amplitude and phase of the rotor vibration in the vertical direction from several points along the shaft is displayed on corresponding points of the demonstrator. Unfiltered vibration from vertical and horizontal probe pairs is displayed on the oscilloscopes in orbit format for a dynamic presentation of the mode shape.

  5. Features of vibrations of structural inhomogeneous solid media

    Science.gov (United States)

    Karimbaev, Telman; Baishagirov, Khairulla; Nurgaliyeva, Saltanat

    2017-09-01

    Homogeneous or quasi-homogeneous classic models of deformation are generally used at a mathematical de-scription of deformation composite materials (CM). These theories, however, are limited within initial conditions and do not cover the most important properties of CM: heterogeneity of inertia and elasticity of components, their interaction when deforming, etc. Among the models that complement the classical theories, it is possible to allocate the so-called theory of mixture where CM is considered as two (or more) interacting homogeneous continuum. Therefore, the model increase of motion freedom degrees of the particles of such heterogeneous medium allows each component of CM to show their inertial properties. This leads to the identification of such exclusive features as "bifurcation of fre-quencies", i.e., to description of motion on each form of normal modes at two different frequencies. In the research this phenomenon was investigated by the analysis of biquadratic equation obtained at solving the proper value problem of heterogeneous medium, and was verified by testing the normal mode of frequencies of blades made of CM. In the particular case there was received a simple calculation formula for determination of bar technical frequencies from CM on the basis of the characteristic equation of natural vibrations. In this case the numerical results for the lower forms of the vibration normal mode coincide with the experimental data for homogeneous medium. The characteristic equation contains the introduced physical parameters of the two-component theory; therefore, it describes the other forms of vibration. However, in this case the freedom of structural fluctuations of CM each component is limited to their coupling and interaction, providing continuity and shared the compound materials.

  6. The Role of Symmetric-Stretch Vibration in Asymmetric-Stretch Vibrational Frequency Shift: the Case of 2CH Excitation Infrared Spectra of Acetylene-Hydrogen Van Der Waals Complex

    Science.gov (United States)

    Hou, Dan; Ma, Yong-Tao; Zhang, Xiao-Long; Zhai, Yu; Li, Hui

    2016-06-01

    Direct infrared spectra predictions for van der Waals (vdW) complexes rely on accurate intra-molecular vibrationally excited inter-molecular potential. Due to computational cost increasing with number of freedom, constructing an effective reduced-dimension potential energy surface, which only includes direct relevant intra- molecular modes, is the most feasible way and widely used in the recent potential studies. However, because of strong intra-molecular vibrational coupling, some indirect relevant modes are also play important roles in simulating infrared spectra of vdW complexes. The questions are how many intra-molecular modes are needed, and which modes are most important in determining the effective potential and direct infrared spectra simulations. Here, we explore these issues using a simple, flexible and efficient vibration-averaged approach, and apply the method to vdW complex C_2H_2-H_2. With initial examination of the intra-molecular vibrational coupling, an effective seven-dimensional ab initio potential energy surface(PES) for C_2H_2-H_2, which explicitly takes into account the Q_1,Q_2 symmetric-stretch and Q_3 asymmetric-stretch normal modes of the C_2H_2 monomer, has been generated. Analytic four-dimensional PESs are obtained by least-squares fitting vibrationally averaged interaction energies for νb{3}(C_2H_2)=0 and 1 to the Morse/long-range(MLR) potential function form. We provide the first prediction of the infrared spectra and band origin shifts for C_2H_2-H_2 dimer. We particularly examine the dependence of the symmetric-stretch normal mode on asymmetric-stretch frequency shift for the complex.

  7. Phases of Hyperconnectivity and Hypoconnectivity in the Default Mode and Salience Networks Track with Amyloid and Tau in Clinically Normal Individuals.

    Science.gov (United States)

    Schultz, Aaron P; Chhatwal, Jasmeer P; Hedden, Trey; Mormino, Elizabeth C; Hanseeuw, Bernard J; Sepulcre, Jorge; Huijbers, Willem; LaPoint, Molly; Buckley, Rachel F; Johnson, Keith A; Sperling, Reisa A

    2017-04-19

    Alzheimer's disease (AD) is characterized by two hallmark molecular pathologies: amyloid aβ1-42 and Tau neurofibrillary tangles. To date, studies of functional connectivity MRI (fcMRI) in individuals with preclinical AD have relied on associations with in vivo measures of amyloid pathology. With the recent advent of in vivo Tau-PET tracers it is now possible to extend investigations on fcMRI in a sample of cognitively normal elderly humans to regional measures of Tau. We modeled fcMRI measures across four major cortical association networks [default-mode network (DMN), salience network (SAL), dorsal attention network, and frontoparietal control network] as a function of global cortical amyloid [Pittsburgh Compound B (PiB)-PET] and regional Tau (AV1451-PET) in entorhinal, inferior temporal (IT), and inferior parietal cortex. Results showed that the interaction term between PiB and IT AV1451 was significantly associated with connectivity in the DMN and salience. The interaction revealed that amyloid-positive (aβ(+)) individuals show increased connectivity in the DMN and salience when neocortical Tau levels are low, whereas aβ(+) individuals demonstrate decreased connectivity in these networks as a function of elevated Tau-PET signal. This pattern suggests a hyperconnectivity phase followed by a hypoconnectivity phase in the course of preclinical AD.SIGNIFICANCE STATEMENT This article offers a first look at the relationship between Tau-PET imaging with F(18)-AV1451 and functional connectivity MRI (fcMRI) in the context of amyloid-PET imaging. The results suggest a nonlinear relationship between fcMRI and both Tau-PET and amyloid-PET imaging. The pattern supports recent conjecture that the AD fcMRI trajectory is characterized by periods of both hyperconnectivity and hypoconnectivity. Furthermore, this nonlinear pattern can account for the sometimes conflicting reports of associations between amyloid and fcMRI in individuals with preclinical Alzheimer's disease

  8. Vibrations of Damaged Functionally Graded Cantilever Beams

    Science.gov (United States)

    Byrd, Larry W.; Birman, Victor

    2008-02-01

    The paper discusses closed-form solutions of the problems of free and forced vibrations of a functionally graded cantilever FGM beam with and without damage. The mode of damage considered in the paper is represented by cracks that are perpendicular to the axis of the beam. Notably, such mode of damage was observed in experiments on representative FGM beams. Forced vibrations considered in the paper were generated by a kinematic excitation of the clamped end of the beam.

  9. Vibration response of misaligned rotors

    Science.gov (United States)

    Patel, Tejas H.; Darpe, Ashish K.

    2009-08-01

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

  10. Infrared spectra of thin films of α-crystalline hexafluoroethane: a manifestation of resonant dipole-dipole interaction in the range of fundamental vibrational modes ν5 and ν10

    Science.gov (United States)

    Golubkova, O. S.; Kataeva, T. S.; Shchepkin, D. N.; Asfin, R. E.

    2017-06-01

    Infrared reflection-absorption spectra of thin films of α-crystalline hexafluoroethane deposited on a gold-plated copper mirror are measured at temperatures of 70 and 80 K. The bands corresponding to strong in the dipole absorption vibrations ν5 and ν10 have complex contours, the shape of which is explained in terms of the resonant dipole-dipole interaction between identical spectrally active molecules of the crystal. Splittings of the complex ν5 and ν10 bands are explained taking into account two effects: the Davydov splitting and the LO-TO splitting of the strong modes. Bands of the asymmetric 13C12CF6 isotopologue in the absorption spectrum of the crystal exhibit an anomalously large isotope shift as compared with the shift in the spectrum of free molecules. This anomaly is explained by intermolecular resonant dipole-dipole interaction of asymmetric 13C12CF6 isotopologue with molecules of the environment, consisting of the most abundant 12C2F6 isotopologue. The correctness of the given interpretation is confirmed calculating these three effects in the model of resonant dipole-dipole interaction.

  11. Time-resolved vibrational spectroscopy of a molecular shuttle.

    Science.gov (United States)

    Panman, Matthijs R; Bodis, Pavol; Shaw, Danny J; Bakker, Bert H; Newton, Arthur C; Kay, Euan R; Leigh, David A; Buma, Wybren Jan; Brouwer, Albert M; Woutersen, Sander

    2012-02-14

    Time-resolved vibrational spectroscopy is used to investigate the inter-component motion of an ultraviolet-triggered two-station molecular shuttle. The operation cycle of this molecular shuttle involves several intermediate species, which are observable in the amide I and amide II regions of the mid-IR spectrum. Using ab initio calculations on specific parts of the rotaxane, and by comparing the transient spectra of the normal rotaxane with that of the N-deuterated version, we can assign the observed vibrational modes of each species occurring during the shuttling cycle in an unambiguous way. The complete time- and frequency-dependent data set is analyzed using singular value decomposition (SVD). Using a kinetic model to describe the time-dependent concentrations of the transient species, we derive the absorption spectra associated with each stage in the operation cycle of the molecular shuttle, including the recombination of the charged species.

  12. Three-dimensional free vibration analysis of thick laminated circular ...

    African Journals Online (AJOL)

    Dr Oke

    mechanical systems is understanding the free vibration behavior of different plate components. The dynamic response of complex engineering systems is intimately linked with plate response frequencies as well as vibration mode shapes. A thorough analysis of free vibration data is often useful in arriving at the resonant ...

  13. 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...

  14. FEM Updating of Tall Buildings using Ambient Vibration Data

    DEFF Research Database (Denmark)

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

    2005-01-01

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

  15. Broadband Radiation Modes: Estimation and Active Control

    NARCIS (Netherlands)

    Berkhoff, Arthur P.

    In this paper we give a formulation of the most efficiently radiating vibration patterns of a vibrating body, the radiation modes, in the time domain. The radiation modes can be used to arrive at efficient weighting schemes for an array of sensors in order to reduce the controller dimensionality.

  16. The Lowest Vibrational States of Urea from the Rotational Spectrum

    Science.gov (United States)

    Kisiel, Zbigniew; Thomas, Jessica; Medvedev, Ivan

    2014-06-01

    The urea molecule, (NH_2)_2CO, has a complex potential energy surface resulting from a combination of the NH_2 torsion and NH_2 inversion motions. This leads to a distribution of lowest vibrational states that is expected to be significantly different from the more familiar picture from simple inversion or normal mode models. The broadband 207-500 GHz spectrum of urea recorded in Dayton has signal to noise sufficient for assignment of rotational transitions in excited vibrational states up to at least 500 cm-1. In addition to the previously reported analysis of the ground and the lowest excited state we have been able to assign transitions in at least five other excited vibrational states. Strongly perturbed transitions in a close doublet of such states have been fitted to within experimental accuracy with a coupled fit and a splitting in the region of 1 cm-1. These assignments combined with vibrational energy estimates from relative intensity measurements allow for empirical discrimination between different models for the energy level manifestation of the large amplitude motions in urea.^b P.D.Godfrey, R.D.Brown, A.N.Hunter J. Mol. Struct., 413-414, 405-414 (1997). N.Inostroza, M.L.Senent, Chem. Phys. Lett., 524, 25 (2012).

  17. Vibrating minds

    CERN Document Server

    2009-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2005-08-01

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

  19. 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...

  20. 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.

  1. Enhanced vibrations at surfaces with back-bonds nearly parallel to the surface

    Energy Technology Data Exchange (ETDEWEB)

    Van Hove, M.A.

    2004-03-16

    It has been discovered that several very different surfaces exhibit a common property: unusually large vibration amplitudes of the outermost atoms, well beyond the enhancement normally expected at typical clean surfaces. These special surfaces are: ice H2O(0001), alpha-Al2O3(0001), alpha-Ga(010) and Si(111)-(2x1). The root-mean-square vibration amplitudes in these surfaces are at least double the bulk values. The common cause that may explain these vibration amplitudes is that the surface atoms (or molecules in the case of ice) only have back-bonds that are nearly parallel to the surface. In this geometry, vibrations, especially perpendicular to the surface, involve primarily bond bending rather than bond stretching/compression: since bond bending is relatively soft, the corresponding vibration modes can have larger amplitudes. It is suggested that theory examine and confirm this cause of enhanced surface vibration amplitudes, and explore its implication for other phenomena such as adsorption and catalysis.

  2. Experimental Modal Analysis on Vibrations in the Building Construction

    OpenAIRE

    成瀬, 治興; 佐野, 泰之; 北畠, 弘基

    1996-01-01

    This paper describes some results of vibration propagation characteristics of two rooms next door to each other in the actual building construction (including floor, walls, and upstairfloor) by experimental modal analysis. In addition, we investigate about vibration response of measuring points by forced response and sensitivity analysis. The results are summarized as follows. The vibration of lower modes gives larger effect to vibration propagation characteristics of building construction th...

  3. Another approach to vibrational analysis of stepped structures

    CSIR Research Space (South Africa)

    Fedotov, I

    2006-01-01

    Full Text Available Hz. First resonance is a pendulum mode at which the stepped bar vibrates as “rigid” pendu- lum. All other modes are “longitudinal”. Geometry of the bar was specially chosen so that vibration amplitude of the junction between the cylindrical...

  4. Vibrational Inelastic Electron Tunneling Spectroscopy of Single Acetylene Molecules Adsorbed on Copper (100) Surface

    OpenAIRE

    Jiang, Chi-Lun

    2015-01-01

    With a 600mk homebuilt UHV STM system, we studied molecular vibration at the solid surface with inelastic electron tunneling spectroscopy (IETS) of Acetylene single molecules adsorbed on Cu(100) surface. The identification of vibrational IETS features with normalized conductance change (Δσ/σ) as low as 0.24% in dI2/d2V spectra was demonstrated. Five vibrational modes with energy level at 117.70meV (Δσ/σ =0.42%), 84.07meV (Δσ/σ =0.24%), 58.46meV (Δσ/σ =1.18%), 34.80meV (Δσ/σ =0.65% ) and 22.1...

  5. Comment on plate modal wavenumber transforms in Sound and structural vibration [Academic Press (1987, 2007)] (L).

    Science.gov (United States)

    Shepherd, Micah R; Hambric, Stephen A

    2012-10-01

    The wavenumber transform for rectangular, simply supported, isotropic thin plates has been rederived to correct a technical error found in the text Sound and Structural Vibration (Academic Press, 1985/2007) by Fahy/Fahy and Gardonio. The text states that the modal wavenumber corresponds to the peak of the wavenumber spectrum. While this is approximately true for higher-order modes, it does not hold for lower-order modes due to coupling between positive and negative wavenumber energy. The modal wavenumber is shown to be related to the zeros in the wavenumber spectrum by an integer multiple of 2π normalized by the plate length.

  6. Alignment dependent chemisorption of vibrationally excited CH4(?3) on Ni(100), Ni(110), and Ni(111)”

    OpenAIRE

    B. Yoder R. Bisson P. M. Hundt and R. Beck

    2011-01-01

    We present a stereodynamics study of the dissociative chemisorption of vibrationally excited methane on the (100) (110) and (111) planes of a nickel single crystal surface. Using linearly polarized infrared excitation of the antisymmetric C–H stretch normal mode vibration (? 3 ) we aligned the angular momentum and C–H stretch amplitude of CH4 (? 3 ) in the laboratory frame and measured the alignment dependence of stateresolved reactivity of CH4 for the ?3 = 1 J = 0–3 quantum states over a ran...

  7. Alignment dependent chemisorption of vibrationally excited CH4(3) on Ni(100), Ni(110), and Ni(111).

    OpenAIRE

    Yoder Bruce; Bisson Regis; Hundt Phil Morten; Beck Rainer D.

    2011-01-01

    We present a stereodynamics study of the dissociative chemisorption of vibrationally excited methane on the (100) (110) and (111) planes of a nickel single crystal surface. Using linearly polarized infrared excitation of the antisymmetric C–H stretch normal mode vibration (? 3 ) we aligned the angular momentum and C–H stretch amplitude of CH4 (? 3 ) in the laboratory frame and measured the alignment dependence of state resolved reactivity of CH4 for the ?3 = 1 J = 0–3 quantum states over a ra...

  8. Infrared vibrational spectroscopy of [Ru(bpy)2(bpm)]2+ and [Ru(bpy)3]2+ in the excited triplet state.

    Science.gov (United States)

    Mukuta, Tatsuhiko; Fukazawa, Naoto; Murata, Kei; Inagaki, Akiko; Akita, Munetaka; Tanaka, Sei'ichi; Koshihara, Shin-ya; Onda, Ken

    2014-03-03

    This work involved a detailed investigation into the infrared vibrational spectra of ruthenium polypyridyl complexes, specifically heteroleptic [Ru(bpy)2(bpm)](2+) (bpy = 2,2'-bipyridine and bpm = 2,2'-bipyrimidine) and homoleptic [Ru(bpy)3](2+), in the excited triplet state. Transient spectra were acquired 500 ps after photoexcitation, corresponding to the vibrational ground state of the excited triplet state, using time-resolved infrared spectroscopy. We assigned the observed bands to specific ligands in [Ru(bpy)2(bpm)](2+) based on the results of deuterium substitution and identified the corresponding normal vibrational modes using quantum-chemical calculations. Through this process, the more complex vibrational bands of [Ru(bpy)3](2+) were assigned to normal vibrational modes. The results are in good agreement with the model in which excited electrons are localized on a single ligand. We also found that the vibrational bands of both complexes associated with the ligands on which electrons are little localized appear at approximately 1317 and 1608 cm(-1). These assignments should allow the study of the reaction dynamics of various photofunctional systems including ruthenium polypyridyl complexes.

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

    Science.gov (United States)

    Faucheaux, Jacob A; Hirata, So

    2015-10-07

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

  10. 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.

  11. Chatter vibrations of high-performance motorcycles

    Science.gov (United States)

    Sharp, R. S.; Watanabe, Y.

    2013-03-01

    Motorcycle racing teams occasionally experience speed-limiting vibrations of around 25 Hz frequency in mid-corner. The nature of the vibrations has not been closely defined yet and the mechanics are currently not properly understood. Conventional motorcycle-dynamics models are shown here to reveal the existence of a vibration mode that aligns with the experience being referred to, suggesting some explanations. Root loci for variations in speed or cornering vigour, demonstrating modal characteristics for small perturbations from trim states, are employed to indicate how the mode responds to changes in operation and design. Modal participation is examined for a lightly damped case. Influences on the natural frequency and damping of the mode are found and a way of stabilising the mode is suggested.

  12. Active damping of the 1D rocking mode

    NARCIS (Netherlands)

    Babakhani, B.; de Vries, Theodorus J.A.

    Active damping of a rotational vibration mode in the linear guidance of a precision machine in a one dimensional (1D) setting is considered in this paper. This so-called rocking mode presents itself in machines having linear actuation. The limitation this vibration mode imposes on the machine

  13. Normal coordinate analysis and quantum chemical study of tris(p ...

    Indian Academy of Sciences (India)

    Normal coordinate analysis and quantum chemical study at 3006, 3000, 2918 and 2997 cm. −1 are in accordance with the observed frequencies as shown in table 1. In the FT-IR spectra a highly intense peak is observed at 1652 cm. −1 and it is calculated at 1660 cm. −1 with the mode of vibrations as ν(C=O) (64%) PED,.

  14. Kinetic theory for DNA melting with vibrational entropy

    Science.gov (United States)

    Sensale, Sebastian; Peng, Zhangli; Chang, Hsueh-Chia

    2017-10-01

    By treating DNA as a vibrating nonlinear lattice, an activated kinetic theory for DNA melting is developed to capture the breakage of the hydrogen bonds and subsequent softening of torsional and bending vibration modes. With a coarse-grained lattice model, we identify a key bending mode with GHz frequency that replaces the hydrogen vibration modes as the dominant out-of-phase phonon vibration at the transition state. By associating its bending modulus to a universal in-phase bending vibration modulus at equilibrium, we can hence estimate the entropic change in the out-of-phase vibration from near-equilibrium all-atom simulations. This and estimates of torsional and bending entropy changes lead to the first predictive and sequence-dependent theory with good quantitative agreement with experimental data for the activation energy of melting of short DNA molecules without intermediate hairpin structures.

  15. Urban vibrations

    DEFF Research Database (Denmark)

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

    2012-01-01

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

  16. Damping and energy dissipation in soft tissue vibrations during running.

    Science.gov (United States)

    Khassetarash, Arash; Hassannejad, Reza; Enders, Hendrik; Ettefagh, Mir Mohammad

    2015-01-21

    It has been well accepted that the vibrations of soft tissue cannot be simulated by a single sinusoidal function. In fact, these vibrations are a combination of several vibration modes. In this study, these modes are extracted applying a recently developed method namely, partly ensemble empirical mode decomposition (PEEMD). Then, a methodology for estimating the damping properties and energy dissipation caused by damping for each mode is used. Applying this methodology on simulated signals demonstrates high accuracy. This methodology is applied to the acceleration signals of the gastrocnemius muscle during sprinting and the differences between the damping properties of different vibration modes were identified. The results were 1) the damping property of high-frequency mode was higher than that for low-frequency modes. 2) All identified modes were in under damped condition, therefore, the vibrations had an oscillatory nature. 3) The damping ratios of lower modes are about 100% increased compared to higher modes. 4) The energy dissipation occurred in lower modes were much more than that for higher mode; According to the power spectrum of the ground reaction force (GRF), which is the input force into the body, the recent finding supports the muscle tuning paradigm. It is suggested that the damping properties and energy dissipation can be used to distinguish between different running conditions (surface, fatigue, etc.). Copyright © 2014 Elsevier Ltd. All rights reserved.

  17. IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-aminouracil

    Science.gov (United States)

    Singh, J. S.

    2014-09-01

    Infrared (IR) and Raman spectra of uracil and 5-aminouracil have been recorded and analyzed between the region 200-4000 cm-1. The optimized molecular geometries, atomic polar tensor (APT) charges and vibrational characteristics have been studied theoretically using restricted Hartree-Fock (RHF) and density functional theory (DFT) methods. Using the Becke’s exchange in conjunction with Lee-Yang-Parr’s correlation functional and Becke’s three-parameter hybrid method (B3LYP), the ab initio and DFT calculations were carried out to study the optimized molecular fundamental vibrational frequencies for uracil and 5-aminouracil by employing Gaussian-03 program. The fundamental vibrational frequencies along with their corresponding intensities in IR and Raman activities and depolarization ratios of the Raman lines have also been calculated using the RHF and DFT methods employing different basis sets. In quantum chemical calculations, the most of B3LYP/6-311++G** vibrational frequencies are in the excellent agreement with available experimental assignments and helped in the reassignments of some fundamental vibrational modes. On the basis of calculated results, the assignments of some missing frequencies in the experimental study are proposed. Assuming under the Cs point group for both molecules, the distribution of normal mode of vibrations between the two species as planar (a‧) and non-planar (a″) are given by 25a‧ + 11a″, of which 30 modes (21a‧ + 9a″) correspond to the uracil moiety and 6 modes (4a‧ + 2a″) to the NH2 group. Kekule ring stretching mode is found to be comparatively higher frequency magnitude than the mode of uracil due to the involvement of hydrogen bonding of amino group. But, the ring breathing is found to be lower frequency magnitude compared to those for uracil which could be due to mass effect of the NH2 group in place of the hydrogen atom. All other bands have also been assigned different fundamentals/overtones/combinations.

  18. Inversion of the moment-tensor Mrr components of the 2012 Sumatra strike-slip double earthquake using radial normal modes

    Science.gov (United States)

    Zábranová, Eliška; Matyska, Ctirad

    2017-01-01

    On April 11, 2012, two strike-slip Sumatra earthquakes with moment magnitudes higher than 8 generated strong, preferentially horizontal, motions. If only body and surface waves are inverted, their centroid-moment-tensor (CMT) parameters producing vertical motions, in particular the Mrr components, are poorly resolved. Independent constraints can be obtained from observations of the radial free-oscillation modes. The signal of radial modes is acquired from four unperturbed superconducting gravimeter records with low noise levels in submillihertz frequency range. We show that the observed signal substantially differs from the synthetic calculations for most of the published CMTs except for the Global CMT solution, which agrees better. We perform modal inversions considering uncertainties in centroid times and calculate marginal posterior probability density function of the Mrr components. The amplitude-spectrum inversion is robust enough to estimate the intervals of admissible Mrr values. Finally, we incorporate also a phase information and reduce the trade-off between the Mrr components of the two studied events.

  19. The effect of a small initial curvature on the free vibration of clamped, rectangular plates

    Science.gov (United States)

    Adeniji-Fashola, A. A.; Oyediran, A. A.

    1986-01-01

    An analytical method of obtaining the natural frequencies and mode shapes of clamped, rectangular plates having a small initial curvature is presented. Specifically, the singular perturbation technique is used to reduce the fourth-order plate vibration problem to the simpler membrane problem with modified boundary conditions that account for the bending effects. The eigenfrequencies for plates with inverse aspect ratios varying between 0.1 and 1.0 and for the dimensionless normal prestress between 0.1 and 1.0 have been presented for values of epsilon, the normalized bending rigidity, ranging between 0.0010 and 0.2500. It is established that a small initial curvature has no effect on the frequency of vibration of the plate. However, its effect is manifested in the eigenmodes.

  20. Vibrational spectroscopy and DFT calculations of flavonoid derriobtusone A

    Science.gov (United States)

    Marques, A. N. L.; Mendes Filho, J.; Freire, P. T. C.; Santos, H. S.; Albuquerque, M. R. J. R.; Bandeira, P. N.; Leite, R. V.; Braz-Filho, R.; Gusmão, G. O. M.; Nogueira, C. E. S.; Teixeira, A. M. R.

    2017-02-01

    Flavonoids are secondary metabolites of plants which perform various functions. One subclass of flavonoid is auronol that can present immunostimulating activity. In this work Fourier-Transform Infrared with Attenuated Total Reflectance (FTIR-ATR) and Fourier-Transform Raman (FT-Raman) spectra of an auronol, derriobtusone A (C18H12O4), were obtained at room temperature. Theoretical calculations using Density Functional Theory (DFT) were performed in order to assign the normal modes and to interpret the spectra of the derriobtusone A molecule. The FTIR-ATR and FT-Raman spectra of the crystal, were recorded at room temperature in the regions 600 cm-1 to 4000 cm-1 and 40 cm-1 to 4000 cm-1, respectively. The normal modes of vibrations were obtained using Density Functional Theory with B3LYP functional and 6-31G+ (d,p) basis set. The calculated frequencies are in good agreement with those obtained experimentally. Detailed assignments of the normal modes present in both the Fourier-Transform infrared and the Fourier-Transform Raman spectra of the crystal are given.

  1. Monitoring Vibration of A Model of Rotating Machine

    Directory of Open Access Journals (Sweden)

    Arko Djajadi

    2012-03-01

    Full Text Available Mechanical movement or motion of a rotating machine normally causes additional vibration. A vibration sensing device must be added to constantly monitor vibration level of the system having a rotating machine, since the vibration frequency and amplitude cannot be measured quantitatively by only sight or touch. If the vibration signals from the machine have a lot of noise, there are possibilities that the rotating machine has defects that can lead to failure. In this experimental research project, a vibration structure is constructed in a scaled model to simulate vibration and to monitor system performance in term of vibration level in case of rotation with balanced and unbalanced condition. In this scaled model, the output signal of the vibration sensor is processed in a microcontroller and then transferred to a computer via a serial communication medium, and plotted on the screen with data plotter software developed using C language. The signal waveform of the vibration is displayed to allow further analysis of the vibration. Vibration level monitor can be set in the microcontroller to allow shutdown of the rotating machine in case of excessive vibration to protect the rotating machine from further damage. Experiment results show the agreement with theory that unbalance condition on a rotating machine can lead to larger vibration amplitude compared to balance condition. Adding and reducing the mass for balancing can be performed to obtain lower vibration level. 

  2. 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.

  3. Vibrational coupling in plasmonic molecules.

    Science.gov (United States)

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

    2017-10-31

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

  4. 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

  5. Ventricular Diastolic Function in Normal Fetuses and Fetuses with Hb Bart's Disease Assessed by Color M-Mode Propagation Velocity using Cardio-STIC-M (Spatio-Temporal Image Correlation M-Mode).

    Science.gov (United States)

    Tongsong, T; Tongprasert, F; Srisupundit, K; Luewan, S; Traisrisilp, K

    2016-10-01

    Purpose: To determine whether ventricular diastolic dysfunction contributes to the pathogenesis of fetal cardiac failure due to fetal anemia using fetal Hb Bart's disease as a live model and cardio-STIC-M as a diagnostic tool. Materials and Methods: Color cardio-STIC volume datasets were acquired from fetuses at risk for Hb Bart's disease during 18 - 22 weeks of gestation and normal pregnancies and pregnancies with hydrops fetalis caused by Hb Bart's disease at 28 - 32 weeks. The volumes were analyzed off-line for velocity propagation (Vp) of the right and left ventricles to assess ventricular diastolic function using color cardio-STIC-M. Results: The Vp for the right and left ventricles was studied in fetuses at 18 - 22 weeks, including 64 normal fetuses (group 1) and 22 fetuses with Hb Bart's disease (group 2), and in fetuses at 28 - 32 weeks, including 22 normal fetuses (group 3) and 16 fetuses with Hb Bart's hydrops fetalis (group 4). The Vp of the fetuses in group 1 and group 2 was not significantly different. However, the Vp for the right and left ventricles in group 4 was significantly lower than in group 3 (19.02 vs. 9.78, p < 0.001; and 20.24 vs. 13.40, p < 0.001, respectively). The inter-observer variability had fair agreement with the intra-class correlation coefficient of 0.531 (95 % CI 0.393 - 0.646, p < 0.001). Conclusion: Hydrops fetalis secondary to fetal anemia is initially caused by hypervolemia rather than ventricular diastolic dysfunction while ventricular diastolic compromise is a late occurring consequence of persistent hypervolemia, different from the mechanism of hydropic changes caused by cardiac causes. © Georg Thieme Verlag KG Stuttgart · New York.

  6. Numerical investigation of vortex shedding and vortex-induced vibration for flexible riser models

    Directory of Open Access Journals (Sweden)

    Zheng-Shou Chen

    2010-06-01

    Full Text Available The numerical study about the vortex-induced vibration and vortex shedding in the wake has been presented. Prior to the numerical simulation of flexible riser systems concerning engineering conditions, efficiency validating of the proposed FSI solution method have been performed. The comparison between numerical simulation and published experimental data shows that the CFD method designed for FSI solution could give acceptable result for the VIV prediction of flexible riser/pipe system. As meaningful study on VIV and vortex shedding mode with the focus on flexible riser model systems, two kinds of typical simulation cases have been carried out. One was related to the simulation of vortex visualization in the wake for a riser model subject to forced oscillation, and another was related to the simulation of fluid-structure interaction between the pipes of coupled multi-assembled riser system. The result from forced oscillation simulation shows that the vortex-induced vibration with high response frequency but small instantaneous vibration amplitude contributes to vortex conformation as much as the forced oscillation with large normalized amplitude does, when the frequency of forced oscillation was relatively high. In the multi-assembled riser systems, it has been found that the external current velocity and the distance between two pipes are the critical factors to determine the vibration state and the steady vibration state emerging in quad-pipe system may be destroyed more easily than dual-pipe system.

  7. First-principles calculations on anharmonic vibrational frequencies of polyethylene and polyacetylene in the Gamma approximation.

    Science.gov (United States)

    Keçeli, Murat; Hirata, So; Yagi, Kiyoshi

    2010-07-21

    The frequencies of the infrared- and/or Raman-active (k=0) vibrations of polyethylene and polyacetylene are computed by taking account of the anharmonicity in the potential energy surfaces (PESs) and the resulting phonon-phonon couplings explicitly. The electronic part of the calculations is based on Gaussian-basis-set crystalline orbital theory at the Hartree-Fock and second-order Møller-Plesset (MP2) perturbation levels, providing one-, two-, and/or three-dimensional slices of the PES (namely, using the so-called n-mode coupling approximation with n=3), which are in turn expanded in the fourth-order Taylor series with respect to the normal coordinates. The vibrational part uses the vibrational self-consistent field, vibrational MP2, and vibrational truncated configuration-interaction (VCI) methods within the Gamma approximation, which amounts to including only k=0 phonons. It is shown that accounting for both electron correlation and anharmonicity is essential in achieving good agreement (the mean and maximum absolute deviations less than 50 and 90 cm(-1), respectively, for polyethylene and polyacetylene) between computed and observed frequencies. The corresponding values for the calculations including only one of such effects are in excess of 120 and 300 cm(-1), respectively. The VCI calculations also reproduce semiquantitatively the frequency separation and intensity ratio of the Fermi doublet involving the nu(2)(0) fundamental and nu(8)(pi) first overtone in polyethylene.

  8. Adaptive inverse control for rotorcraft vibration reduction. Ph.D. Thesis

    Science.gov (United States)

    Jacklin, S. A.

    1985-01-01

    The Least Mean Square (LMS) algorithm is extended to solve the multiple-input, multiple-output problem of alleviating N/Rev helicopter fuselage vibration by means of adaptive inverse control. A frequency domain locally linear model is used to represent the transfer matrix relating the high harmonic pitch control inputs to the harmonic vibration outputs to be controlled. By using the inverse matrix as the controller gain matrix, an adaptive inverse regulator is formed to alleviate the N/Rev vibration. The stability and rate of convergence properties of the extended LMS algorithm are discussed. It is shown that the stability ranges for the elements of the stability gain matrix are directly related to the eigenvalues of the vibration signal information matrix for the learning phase, but not for the control phase. The overall conclusion is that the LMS adaptive inverse control method can form a robust vibration control system, but will require some tuning of the input sensor gains, the stability gain matrix, and the amount of control relaxation to be used. The learning curve of the controller during the learning phase is shown to be quantitatively close to that predicted by averaging the learning curves of the normal modes. It is shown that the best selections of the stability gain matrix elements and the amount of control relaxation is basically a compromise between slow, stable convergence and fast convergence with increased possibility of unstable identification.

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

    Science.gov (United States)

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

    2017-03-16

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

  10. H/sub 3/ /sup +/: Ab initio calculation of the vibration spectrum

    Energy Technology Data Exchange (ETDEWEB)

    Carney, G.D.; Porter, R.N.

    1976-11-01

    The vibration spectrum of H/sub 3/ /sup +/ 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/sup -1/ and a vibrationally averaged geometry of R/sub 1/=R/sub 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/sub 1/ fundamentals are nu-bar/sub E/=2516 cm/sup -1/ and nu-bar/sub A/=3185 cm/sup -1/ and those for the corresponding first overtones of the bending mode are 2nu-bar/sub E/=5004 +- 4 cm/sup -1/ and 2nu-bar/sub A/=4799 cm/sup -1/. The first overtone of the breathing mode is 6264 cm/sup -1/. The first-excited A/sub 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/sub 1/ and E vibrational bands is suggested. (AIP)

  11. 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...

  12. Vibration Analysis of a Split Path Gearbox

    Science.gov (United States)

    Krantz, Timothy L.; Rashidi, Majid

    1995-01-01

    Split path gearboxes can be attractive alternatives to the common planetary designs for rotorcraft, but because they have seen little use, they are relatively high risk designs. To help reduce the risk of fielding a rotorcraft with a split path gearbox, the vibration and dynamic characteristics of such a gearbox were studied. A mathematical model was developed by using the Lagrangian method, and it was applied to study the effect of three design variables on the natural frequencies and vibration energy of the gearbox. The first design variable, shaft angle, had little influence on the natural frequencies. The second variable, mesh phasing, had a strong effect on the levels of vibration energy, with phase angles of 0 deg and 180 deg producing low vibration levels. The third design variable, the stiffness of the shafts connecting the spur gears to the helical pinions, strongly influenced the natural frequencies of some of the vibration modes, including two of the dominant modes. We found that, to achieve the lowest level of vibration energy, the natural frequencies of these two dominant modes should be less than those of the main excitation sources.

  13. Pin-pin resonance as a reference in determining ballasted railway track vibration behaviour

    NARCIS (Netherlands)

    De Man, A.P.

    2000-01-01

    Pin-pin resonance is one of the most significant preferred vibration modes of beams, which are supported at equal distances, such as rails at sleepers in railway track structures do. Pin-pin resonance is a vibration that appears in one basic (first) mode and several higher modes, however the basic

  14. High Burn-Up Spent Nuclear Fuel Vibration Integrity Study

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jy-An John [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Wang, Hong [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Jiang, Hao [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Bevard, Bruce Balkcom [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Howard, Rob L [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Scaglione, John M [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-01-01

    The Oak Ridge National Laboratory (ORNL) has developed the cyclic integrated reversible-bending fatigue tester (CIRFT) approach to successfully demonstrate the controllable fatigue fracture on high burnup (HBU) spent nuclear fuel (SNF) in a normal vibration mode. CIRFT enables examination of the underlying mechanisms of SNF system dynamic performance. Due to the inhomogeneous composite structure of the SNF system, the detailed mechanisms of the pellet-pellet and pellet-clad interactions and the stress concentration effects at the pellet-pellet interface cannot be readily obtained from a CIRFT system measurement. Therefore, finite element analyses (FEAs) are used to translate the global moment-curvature measurement into local stress-strain profiles for further investigation. The major findings of CIRFT on the HBU SNF are as follows: SNF system interface bonding plays an important role in SNF vibration performance. Fuel structure contributes to SNF system stiffness. There are significant variations in stress and curvature of SNF systems during vibration cycles resulting from segment pellets and clad interactions. SNF failure initiates at the pellet-pellet interface region and appears to be spontaneous.

  15. 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.

  16. Terahertz mechanical vibrations in lysozyme: Raman spectroscopy vs modal analysis

    Science.gov (United States)

    Carpinteri, Alberto; Lacidogna, Giuseppe; Piana, Gianfranco; Bassani, Andrea

    2017-07-01

    The mechanical behaviour of proteins is receiving an increasing attention from the scientific community. Recently it has been suggested that mechanical vibrations play a crucial role in controlling structural configuration changes (folding) which govern proteins biological function. The mechanism behind protein folding is still not completely understood, and many efforts are being made to investigate this phenomenon. Complex molecular dynamics simulations and sophisticated experimental measurements are conducted to investigate protein dynamics and to perform protein structure predictions; however, these are two related, although quite distinct, approaches. Here we investigate mechanical vibrations of lysozyme by Raman spectroscopy and linear normal mode calculations (modal analysis). The input mechanical parameters to the numerical computations are taken from the literature. We first give an estimate of the order of magnitude of protein vibration frequencies by considering both classical wave mechanics and structural dynamics formulas. Afterwards, we perform modal analyses of some relevant chemical groups and of the full lysozyme protein. The numerical results are compared to experimental data, obtained from both in-house and literature Raman measurements. In particular, the attention is focused on a large peak at 0.84 THz (29.3 cm-1) in the Raman spectrum obtained analyzing a lyophilized powder sample.

  17. Vibrational and rotational relaxation times of solvated molecular ions

    Science.gov (United States)

    Li, M.; Owrutsky, J.; Sarisky, M.; Culver, J. P.; Yodh, A.; Hochstrasser, R. M.

    1993-04-01

    Infrared pump-probe and infrared polarization spectroscopy have been used to measure the vibrational relaxation times (T1) of the antisymmetric stretching mode and the reorientation times (TR) for N3-, NCS-, and NCO- in D2O and/or methanol. For N3-, experiments were also conducted in H2O and hexamethyl-phosphamide (HPMA) solutions. The rapid vibrational relaxation and slow reorientation observed demonstrate strong coupling between the ions and the solvents. Longer vibrational relaxation and shorter reorientation times measured for NCS- reveal weaker solvent interactions that may be due to the importance of the charge distribution and the form of the normal coordinate. A comparison of the T1 and TR times in different solvents permits a determination of the relative interaction strengths for the solvents investigated. The relatively weaker coupling of N3- in the aprotic solvent HMPA demonstrates the importance of hydrogen bonding in strong solvent interactions in ionic solutions. The experimental results are compared with recent molecular dynamics simulations of ionic solutions.

  18. Wind Turbine Rotors with Active Vibration Control

    DEFF Research Database (Denmark)

    Svendsen, Martin Nymann

    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...... formulation. The element provides an accurate representation of the eigenfrequencies and whirling modes of the gyroscopic system, and identifies lightly damped edge-wise modes. By adoption of a method for active, collocated resonant vibration of multi-degree-of-freedom systems it is demonstrated...... that these are geometrically well separated. For active vibration control in three-bladed wind turbine rotors the present work presents a resonance-based method for groups of one collective and two whirling modes. The controller is based on the existing resonant format and introduces a dual system targeting the collective...

  19. 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.

  20. Acoustical analysis of gear housing vibration

    Science.gov (United States)

    Seybert, A. F.; Wu, T. W.; Wu, X. F.; Oswald, Fred B.

    1991-01-01

    The modal and acoustical analysis of the NASA gear-noise rig is described. Experimental modal analysis techniques were used to determine the modes of vibration of the transmission housing. The resulting modal data were then used in a boundary element method (BEM) analysis to calculate the sound pressure and sound intensity on the surface of the housing as well as the radiation efficiency of each mode. The radiation efficiencies of the transmission housing modes are compared with theoretical results for finite, baffled plates. A method that uses the measured mode shapes and the BEM to predict the effect of simple structural changes on the sound radiation efficiency of the modes of vibration is also described.