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Sample records for active vibrational modes

  1. Activated vibrational modes and Fermi resonance in tip-enhanced Raman spectroscopy.

    PubMed

    Sun, Mengtao; Fang, Yurui; Zhang, Zhenyu; Xu, Hongxing

    2013-02-01

    Using p-aminothiophenol (PATP) molecules on a gold substrate and high-vacuum tip-enhanced Raman spectroscopy (HV-TERS), we show that the vibrational spectra of these molecules are distinctly different from those in typical surface-enhanced Raman spectroscopy. Detailed first-principles calculations help to assign the Raman peaks in the TERS measurements as Raman-active and IR-active vibrational modes of dimercaptoazobenzene (DMAB), providing strong spectroscopic evidence for the dimerization of PATP molecules to DMAB under the TERS setup. The activation of the IR-active modes is due to enhanced electromagnetic field gradient effects within the gap region of the highly asymmetric tip-surface geometry. Fermi resonances are also observed in HV-TERS. These findings help to broaden the versatility of TERS as a promising technique for ultrasensitive molecular spectroscopy.

  2. Enzyme activation and catalysis: characterisation of the vibrational modes of substrate and product in protochlorophyllide oxidoreductase.

    PubMed

    Sytina, Olga A; Alexandre, Maxime T; Heyes, Derren J; Hunter, C Neil; Robert, Bruno; van Grondelle, Rienk; Groot, Marie Louise

    2011-02-14

    The light-dependent reduction of protochlorophyllide, a key step in the synthesis of chlorophyll, is catalyzed by the enzyme protochlorophyllide oxidoreductase (POR) and requires two photons (O. A. Sytina et al., Nature, 2008, 456, 1001-1008). The first photon activates the enzyme-substrate complex, a subsequent second photon initiates the photochemistry by triggering the formation of a catalytic intermediate. These two events are characterized by different spectral changes in the infra-red spectral region. Here, we investigate the vibrational frequencies of the POR-bound and unbound substrate, and product, and thus provide a detailed assignment of the spectral changes in the 1800-1250 cm(-1) region associated with the catalytic conversion of PChlide:NADPH:TyrOH into Chlide:NADP(+):TyrO(-). Fluorescence line narrowed spectra of the POR-bound Pchlide reveal a C=O keto group downshifted by more than 20 cm(-1) to a relatively low vibrational frequency of 1653 cm(-1), as compared to the unbound Pchlide, indicating that binding of the chromophore to the protein occurs via strong hydrogen bond(s). The frequencies of the C=C vibrational modes are consistent with a six-coordinated state of the POR-bound Pchlide, suggesting that there are two coordination interactions between the central Mg atom of the chromophore and protein residues, and/or a water molecule. The frequencies of the C=C vibrational modes of Chlide are consistent with a five-coordinated state, indicating a single interaction between the central Mg atom of the chromophore and a water molecule. Rapid-scan FTIR measurements on the Pchlide:POR:NADPH complex at 4 cm(-1) spectral resolution reveal a new band in the 1670 cm(-1) region. The FTIR spectra of the enzyme activation phase indicate involvement of a nucleotide-binding structural motif, and an increased exposure of the protein to solvent after activation.

  3. Identification of the optically active vibrational modes in the photoluminescence of MEH-PPV films.

    PubMed

    da Silva, M A T; Dias, I F L; Duarte, J L; Laureto, E; Silvestre, I; Cury, L A; Guimarães, P S S

    2008-03-07

    The temperature dependence of the photoluminescence properties of a thin film of poly[2-methoxy-5-(2(')-ethylhexyloxy)-p-phenylene-vinylene], MEH-PPV, fabricated by spin coating, is analyzed. The evolution with temperature of the peak energy of the purely electronic transition, of the first vibronic band, of the effective conjugation length, and of the Huang-Rhys factors are discussed. The asymmetric character of the pure electronic transition peak and the contribution of the individual vibrational modes to the first vibronic band line shape are considered by a model developed by Cury et al. [J. Chem. Phys. 121, 3836 (2004)]. The temperature dependence of the Huang-Rhys factors of the main vibrational modes pertaining to the first vibronic band allows us to identify two competing vibrational modes. These results show that the electron coupling to different vibrational modes depends on temperature via reduction of thermal disorder.

  4. Vibrational modes of nanolines

    NASA Astrophysics Data System (ADS)

    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.

  5. Study on active vibration control for high order mode of flexible beam using smart material piezoelectric ceramic

    NASA Astrophysics Data System (ADS)

    Wu, Da-fang; Huang, Liang; Mu, Meng; Wang, Yue-wu; Wu, Shuang

    2011-11-01

    In order to reduce effective load and lower the launch cost, many light-weight flexible structures are employed in spacecraft. The research of active control on flexible structural vibration is very important in spacecraft design. Active vibration control on a flexible beam with smart material piezoelectric pieces bonded in surface is investigated experimentally using independent modal space control method, which is able to control the first three modes independently. A comparison between the systems responses before and after control indicates that the modal damping of flexible structure is greatly improved after active control is performed, indicating remarkable vibration suppression effect. Dynamic equation of the flexible beam is deducted by Hamilton principle, and numerical simulation of active vibration control on the first three order vibration modes is also conducted in this paper. The simulation result matches experimental result very well. Both experimental and numerical results indicate that the independent modal control method using piezoelectric patch as driving element is a very effective approach to realize vibration suppression, which has promising applications in aerospace field.

  6. Study on active vibration control for high order mode of flexible beam using smart material piezoelectric ceramic

    NASA Astrophysics Data System (ADS)

    Wu, Da-fang; Huang, Liang; Mu, Meng; Wang, Yue-wu; Wu, Shuang

    2012-04-01

    In order to reduce effective load and lower the launch cost, many light-weight flexible structures are employed in spacecraft. The research of active control on flexible structural vibration is very important in spacecraft design. Active vibration control on a flexible beam with smart material piezoelectric pieces bonded in surface is investigated experimentally using independent modal space control method, which is able to control the first three modes independently. A comparison between the systems responses before and after control indicates that the modal damping of flexible structure is greatly improved after active control is performed, indicating remarkable vibration suppression effect. Dynamic equation of the flexible beam is deducted by Hamilton principle, and numerical simulation of active vibration control on the first three order vibration modes is also conducted in this paper. The simulation result matches experimental result very well. Both experimental and numerical results indicate that the independent modal control method using piezoelectric patch as driving element is a very effective approach to realize vibration suppression, which has promising applications in aerospace field.

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

    PubMed

    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.

  8. Quantitative analysis of the temperature dependency in Raman active vibrational modes of molybdenum disulfide atomic layers.

    PubMed

    Najmaei, Sina; Ajayan, Pulickel M; Lou, J

    2013-10-21

    Raman spectroscopy is utilized to quantify the temperature dependency of the vibrational modes in molybdenum disulfide (MoS2) atomic layers. These analyses are essential for understanding the structural properties and phononic behaviors of this two-dimensional (2D) material. We quantitatively analyze the temperature dependent shifts of the Raman peak positions in the temperature range from 300 to 550 K, and find that both planar and out-of-plane characteristic modes are highly sensitive to temperature variations. This temperature dependency is linear and can be fully explained by the first-order temperature coefficient. Using a semi-quantitative model, we evaluate the contributions of the material's thermal expansion and intrinsic temperature effects to this dependency. We reveal that the dominating source of shift in the peak position of planar mode E2g(1) for samples of all thicknesses investigated is the four-phonon process. In addition to the four-phonon process, thermal expansion plays a significant role in the temperature dependency of the out-of-plane mode, A1g. The thickness dependency of the temperature coefficient for MoS2 and a drastic change in behaviors of samples from bi- to single-layered are also demonstrated. We further explore the role of defects in the thermal properties of MoS2 by examining the temperature dependency of Raman modes in CVD-grown samples.

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

    PubMed

    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.

  10. Satellites of Xe transitions induced by infrared active vibrational modes of CF4 and C2F6 molecules.

    PubMed

    Alekseev, Vadim A; Schwentner, Nikolaus

    2011-07-28

    Absorption and luminescence excitation spectra of Xe/CF(4) mixtures were studied in the vacuum UV region at high resolution using tunable synchrotron radiation. Pressure-broadened resonance bands and bands associated with dipole-forbidden states of the Xe atom due to collision-induced breakdown of the optical selection rules are reported. The spectra display in addition numerous satellite bands corresponding to transitions to vibrationally excited states of a Xe-CF(4) collisional complex. These satellites are located at energies of Xe atom transition increased by one quantum energy in the IR active v(3) vibrational mode of CF(4) (v(3) = 1281 cm(-1)). Satellites of both resonance and dipole-forbidden transitions were observed. Satellites of low lying resonance states are spectrally broad bands closely resembling in shape their parent pressure-broadened resonance bands. In contrast, satellites of dipole-forbidden states and of high lying resonance states are spectrally narrow bands (FWHM ∼10 cm(-1)). The satellites of dipole-forbidden states are orders of magnitude stronger than transitions to their parent states due to collision-induced breakdown of the optical selection rules. These satellites are attributed to a coupling of dipole-forbidden and resonance states induced by the electric field of the transient CF(4) (v(3) = 0 ↔ v(3) = 1) dipole. Similar satellites are present in spectra of Xe/C(2)F(6) mixtures where these bands are induced by the IR active v(10) mode of C(2)F(6). Transitions to vibrationally excited states of Xe-CF(4)(C(2)F(6)) collision pairs were also observed in two-photon LIF spectra.

  11. Localized vibrational modes in diamond

    NASA Astrophysics Data System (ADS)

    Murzaev, R. T.; Bachurin, D. V.; Korznikova, E. A.; Dmitriev, S. V.

    2017-03-01

    Discrete breather (DB) or, synonymously, intrinsic localized mode (ILM) is a spatially localized and time-periodic vibrational mode in a defect-free nonlinear lattice, e.g., in a crystal lattice. Standing DB and DB clusters (double and triple) are studied in diamond using molecular dynamics method with the AIREBO interatomic potentials. Single DB can be easily excited by applying initial shifts, A0, to a pair of nearest atoms along the valence bond in the opposite directions. Admissible excitation amplitudes are 0.09 ≤A0 /a0 ≤ 0.12, where a0 is the equilibrium interatomic distance. The core of a DB is a pair of nearest carbon atoms oscillating out-of-phase, while the neighboring atoms oscillate with one order of magnitude lower amplitudes. DB frequency is above the top of the phonon spectrum and increases with the oscillation amplitude. DB lives for more than 100 oscillation periods which approximately corresponds to 2 ps. The range of initial amplitudes and other conditions necessary for the excitation of double and triple DB clusters as well as their lifetime are investigated in detail. Two different mechanisms of energy exchange between DBs in the DB clusters are revealed, which is the main result of the present study. Our results contribute to a deeper understanding of the nonlinear lattice dynamics of diamond.

  12. Vibrational dynamics of DNA. I. Vibrational basis modes and couplings

    NASA Astrophysics Data System (ADS)

    Lee, Chewook; Park, Kwang-Hee; Cho, Minhaeng

    2006-09-01

    Carrying out density functional theory calculations of four DNA bases, base derivatives, Watson-Crick (WC) base pairs, and multiple-layer base pair stacks, we studied vibrational dynamics of delocalized modes with frequency ranging from 1400to1800cm-1. These modes have been found to be highly sensitive to structure fluctuation and base pair conformation of DNA. By identifying eight fundamental basis modes, it is shown that the normal modes of base pairs and multilayer base pair stacks can be described by linear combinations of these vibrational basis modes. By using the Hessian matrix reconstruction method, vibrational coupling constants between the basis modes are determined for WC base pairs and multilayer systems and are found to be most strongly affected by the hydrogen bonding interaction between bases. It is also found that the propeller twist and buckle motions do not strongly affect vibrational couplings and basis mode frequencies. Numerically simulated IR spectra of guanine-cytosine and adenine-thymine bases pairs as well as of multilayer base pair stacks are presented and described in terms of coupled basis modes. It turns out that, due to the small interlayer base-base vibrational interactions, the IR absorption spectrum of multilayer base pair system does not strongly depend on the number of base pairs.

  13. Helical Lattice Vibrational Modes in DNA.

    DTIC Science & Technology

    1988-03-10

    VIBRATIONAL MODES IN DNA(U) PURDUE UNIV l’ LAFAYETTE IND DEPT OF PHYSICS V V PRRGHU ET AL. UNCLR~~lll’ 16I MAR *6 N99914...Initiative Organization 1400014-86-K-0252 Washinton, D.C. 20301-7100 %0 %0 .0 Helical Lattixce VibrationalModes in DNA V.V. Prabhu, ’.,.K. Sclhrol!, L.L...8217+"+ " ’. % " " % ") . " ". ".",°. " . % % . . ,.-. -.-. -. ,, . . - . -]. o % % % o. -.-. , .%** %-N% Revised version Helical Lattice Vibrational Modes in DNA 1 A recent

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

    NASA Technical Reports Server (NTRS)

    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.

  15. Vibrational modes and damping in the cochlear partition

    NASA Astrophysics Data System (ADS)

    O'Maoiléidigh, Dáibhid; Hudspeth, A. J.

    2015-12-01

    It has been assumed in models of cochlear mechanics that the primary role of the cochlear active process is to counteract the damping of the basilar membrane, the vibration of which is much larger in a living animal than post mortem. Recent measurements of the relative motion between the reticular lamina and basilar membrane imply that this assumption is incorrect. We propose that damping is distributed throughout the cochlear partition rather than being concentrated in the basilar membrane. In the absence of significant damping, the cochlear partition possesses three modes of vibration, each associated with its own locus of Hopf bifurcations. Hair-cell activity can amplify any of these modes if the system's operating point lies near the corresponding bifurcation. The distribution of damping determines which mode of vibration predominates. For physiological levels of damping, only one mode produces a vibration pattern consistent with experimental measurements of relative motion and basilar-membrane motion.

  16. Vibrational lifetimes of protein amide modes

    SciTech Connect

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

    1995-12-31

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

  17. Deriving Strain Modes From Vibrational Tests

    NASA Technical Reports Server (NTRS)

    Young, J. W.; Joanides, J. C.

    1985-01-01

    Measurements and theoretical analysis complement each other. Experimental acceleration and strain data used to calculate coefficients of low-frequency vibrational modes of object under test. An iterative comparison of experimental and calculated strains give modal model of improved accuracy that predicts strains under operating conditions. Method useful in fatigue life and reliability analyses of buildings, pumps, engines, vehicles, and other systems subject to vibrations and loud noises during operation.

  18. Relating normal vibrational modes to local vibrational modes with the help of an adiabatic connection scheme.

    PubMed

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

    2012-08-28

    Information on the electronic structure of a molecule and its chemical bonds is encoded in the molecular normal vibrational modes. However, normal vibrational modes result from a coupling of local vibrational modes, which means that only the latter can provide detailed insight into bonding and other structural features. In this work, it is proven that the adiabatic internal coordinate vibrational modes of Konkoli and Cremer [Int. J. Quantum Chem. 67, 29 (1998)] represent a unique set of local modes that is directly related to the normal vibrational modes. The missing link between these two sets of modes are the compliance constants of Decius, which turn out to be the reciprocals of the local mode force constants of Konkoli and Cremer. Using the compliance constants matrix, the local mode frequencies of any molecule can be converted into its normal mode frequencies with the help of an adiabatic connection scheme that defines the coupling of the local modes in terms of coupling frequencies and reveals how avoided crossings between the local modes lead to changes in the character of the normal modes.

  19. Skyrmion vibration modes within the rational map ansatz

    SciTech Connect

    Lin, W. T.; Piette, B.

    2008-06-15

    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. Instability of vibrational modes in hexagonal lattice

    NASA Astrophysics Data System (ADS)

    Korznikova, Elena A.; Bachurin, Dmitry V.; Fomin, Sergey Yu.; Chetverikov, Alexander P.; Dmitriev, Sergey V.

    2017-02-01

    The phenomenon of modulational instability is investigated for all four delocalized short-wave vibrational modes recently found for the two-dimensional hexagonal lattice with the help of a group-theoretic approach. The polynomial pair potential with hard-type quartic nonlinearity ( β-FPU potential with β > 0) is used to describe interactions between atoms. As expected for the hard-type anharmonic interactions, for all four modes the frequency is found to increase with the amplitude. Frequency of the modes I and III bifurcates from the upper edge of the phonon spectrum, while that of the modes II and IV increases from inside the spectrum. It is also shown that the considered model supports spatially localized vibrational mode called discrete breather (DB) or intrinsic localized mode. DB frequency increases with the amplitude above the phonon spectrum. Two different scenarios of the mode decay were revealed. In the first scenario (for modes I and III), development of the modulational instability leads to a formation of long-lived DBs that radiate their energy slowly until thermal equilibrium is reached. In the second scenario (for modes II and IV) a transition to thermal oscillations of atoms is observed with no formation of DBs.

  1. Tuning vibrational mode localization with frequency windowing

    NASA Astrophysics Data System (ADS)

    Cheng, Xiaolu; Talbot, Justin J.; Steele, Ryan P.

    2016-09-01

    Local-mode coordinates have previously been shown to be an effective starting point for anharmonic vibrational spectroscopy calculations. This general approach borrows techniques from localized-orbital machinery in electronic structure theory and generates a new set of spatially localized vibrational modes. These modes exhibit a well-behaved spatial decay of anharmonic mode couplings, which, in turn, allows for a systematic, a priori truncation of couplings and increased computational efficiency. Fully localized modes, however, have been found to lead to unintuitive mixtures of characteristic motions, such as stretches and bends, and accordingly large bilinear couplings. In this work, a very simple, tunable localization frequency window is introduced, in order to realize the transition from normal modes to fully localized modes. Partial localization can be achieved by localizing only pairs of modes within this traveling frequency window, which allows for intuitive interpretation of modes. The optimal window size is suggested to be a few hundreds of wave numbers, based on small- to medium-sized test systems, including water clusters and polypeptides. The new sets of partially localized coordinates retain their spatial coupling decay behavior while providing a reduced number of potential energy evaluations for convergence of anharmonic spectra.

  2. Experimental Influence Coefficients and Vibration Modes

    NASA Technical Reports Server (NTRS)

    Weidman, Deene J.; Kordes, Eldon E.

    1959-01-01

    Test results are presented for both symmetrical and antisymmetrical static loading of a wing model mounted on a three-point support system. The first six free-free vibration modes were determined experimentally. A comparison is made of the symmetrical nodal patterns and frequencies with the symmetrical nodal patterns and frequencies calculated from the experimental influence coefficients.

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

    PubMed

    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.

  4. Quantum Strong Coupling with Protein Vibrational Modes.

    PubMed

    Vergauwe, Robrecht M A; George, Jino; Chervy, Thibault; Hutchison, James A; Shalabney, Atef; Torbeev, Vladimir Y; Ebbesen, Thomas W

    2016-10-07

    In quantum electrodynamics, matter can be hybridized to confined optical fields by a process known as light-matter strong coupling. This gives rise to new hybrid light-matter states and energy levels in the coupled material, leading to modified physical and chemical properties. Here, we report for the first time the strong coupling of vibrational modes of proteins with the vacuum field of a Fabry-Perot mid-infrared cavity. For two model systems, poly(l-glutamic acid) and bovine serum albumin, strong coupling is confirmed by the anticrossing in the dispersion curve, the square root dependence on the concentration, and a vacuum Rabi splitting that is larger than the cavity and vibration line widths. These results demonstrate that strong coupling can be applied to the study of proteins with many possible applications including the elucidation of the role of vibrational dynamics in enzyme catalysis and in H/D exchange experiments.

  5. Vibrational modes in the quantum Hall system

    NASA Astrophysics Data System (ADS)

    Wooten, Rachel; Yan, Bin; Daily, Kevin; Greene, Chris H.

    The hyperspherical adiabatic technique is more familiar to atomic and nuclear few-body systems, but can also be applied with high accuracy to the many-body quantum Hall problem. This technique reformulates the Schrödinger equation for N electrons into hyperspherical coordinates, which, after extracting the trivial center of mass, describes the system in terms of a single global size coordinate known as the hyperradius R, and 2 N - 3 remaining internal angular coordinates. The solutions are approximately separable in the hyperradial coordinate, and solutions in the system are found by treating the hyperradius as an adiabatic coordinate. The approximate separability of the wave functions in this coordinate suggests the presence of hyperradial vibrational modes which are not described in conventional theories. The vibrationally excited states share the internal geometry of their quantum Hall ground states, and their excitation frequencies may vary with the number of participating particles or the strength of the confinement. We plan to discuss the features of these vibrational modes and their possible detection in quantum Hall systems. NSF.

  6. [A method of obtaining vibrational dephasing time of molecular multi-vibrational modes simultaneously].

    PubMed

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

    2011-02-01

    In the present paper, the authors used the time-resolved coherent anti-Stokes Raman scattering (CARS) spectroscopy based on supercontinuum developed by ourselves to acquire simultaneously the molecular vibration spectrum and vibrational dephasing time of the molecular various vibrational modes. Using benzonitrile as the sample, the authors measured its vibrational relaxation processes at its five typical vibrational modes and obtained their vibrational dephasing time respectively. In the experiment, the authors also found the phenomenon that oscillations appear in the vibrational dephasing of plane bending vibration mode of benzene ring in benzonitrile, which was caused by superposition of the two adjacent normal vibrational modes excited simultaneously. After mixing benzonitrile with anhydrous ethanol, the authors also measured their vibrational dephasing time. This method is capable of monitoring the changes of the molecular characteristics and its micro-environment, therefore it will find widespread applications in biology, chemistry and materials science.

  7. Transition Mode Shapes in a Vibrating Drop

    NASA Astrophysics Data System (ADS)

    Vukasinovic, Bojan; Smith, Marc K.; Glezer, Ari

    2000-11-01

    Vertical, time-periodic vibration of a diaphragm has been used to atomize a primary sessile drop into a fine spray of secondary droplets. The evolution and rate of atomization depend on the coupled dynamics of the sessile drop and the piezoelectrically-driven, low-mass diaphragm. The evolution of the free surface of the drop is characterized by the appearance of a hierarchy of surface waves that we investigated using high-speed imaging and laser vibrometry. At low-driving amplitudes, we see the appearance of time-harmonic axisymmetric waves on the drop's free surface induced by the motion of the contact line. As the vibration amplitude increases, azimuthal waves at the subharmonic of the forcing frequency appear around the periphery of the drop and propagate towards its center. A striking lattice mode emerges upon the breakdown of the axisymmetric wave pattern, followed by the appearance of the highly-agitated free surface of the pre-ejection mode shape. Subsequent to the breakdown of the lattice structure, the frequency of the most energetic mode is a subharmonic of the driving frequency. The complex interaction of the fundamental and subharmonic waves ultimately leads to the breakdown of the free surface and the atomization of the drop.

  8. Active damping of spacecraft structural appendage vibrations

    NASA Technical Reports Server (NTRS)

    Fedor, Joseph V. (Inventor)

    1990-01-01

    An active vibration damper system, for bending in two orthogonal directions and torsion, in each of three mutually perpendicular axes is located at the extremities of the flexible appendages of a space platform. The system components for each axis includes: an accelerometer, filtering and signal processing apparatus, and a DC motor-inertia wheel torquer. The motor torquer, when driven by a voltage proportional to the relative vibration tip velocity, produces a reaction torque for opposing and therefore damping a specific modal velocity of vibration. The relative tip velocity is obtained by integrating the difference between the signal output from the accelerometer located at the end of the appendage with the output of a usually carried accelerometer located on a relatively rigid body portion of the space platform. A selector switch, with sequential stepping logic or highest modal vibration energy logic, steps to another modal tip velocity channel and receives a signal voltage to damp another vibration mode. In this manner, several vibration modes can be damped with a single sensor/actuator pair. When a three axis damper is located on each of the major appendages of the platform, then all of the system vibration modes can be effectively damped.

  9. The spectrum of vibration modes in soft opals.

    PubMed

    Cheng, W; Wang, J J; Jonas, U; Steffen, W; Fytas, G; Penciu, R S; Economou, E N

    2005-09-22

    Numerous vibrational modes of spherical submicrometer particles in fabricated soft opals are experimentally detected by Brillouin light scattering and theoretically identified by their spherical harmonics by means of single-phonon scattering-cross-section calculations. The particle size polydispersity is reflected in the line shape of the low-frequency modes, whereas lattice vibrations are probably responsible for the observed overdamped transverse mode.

  10. Function generator for synthesizing complex vibration mode patterns

    NASA Technical Reports Server (NTRS)

    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.

  11. Hydrogen local vibrational modes in semiconductors

    SciTech Connect

    McCluskey, Matthew D.

    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.

  12. Active Vibration Damping of Solar Arrays

    NASA Astrophysics Data System (ADS)

    Reinicke, Gunar; Baier, Horst; Grillebeck, Anton; Scharfeld, Frank; Hunger, Joseph; Abou-El-Ela, A.; Lohberg, Andreas

    2012-07-01

    Current generations of large solar array panels are lightweight and flexible constructions to reduce net masses. They undergo strong vibrations during launch. The active vibration damping is one convenient option to reduce vibration responses and limit stresses in facesheets. In this study, two actuator concepts are used for vibration damping. A stack interface actuator replaces a panel hold down and is decoupled from bending moments and shear forces. Piezoelectric patch actuators are used as an alternative, where the number, position and size of actuators are mainly driven by controllability analyses. Linear Quadratic Gaussian control is used to attenuate vibrations of selected mode shapes with both actuators. Simulations as well as modal and acoustic tests show the feasibility of selected actuator concepts.

  13. Automatic determination of important mode-mode correlations in many-mode vibrational wave functions.

    PubMed

    König, Carolin; Christiansen, Ove

    2015-04-14

    We introduce new automatic procedures for parameterizing vibrational coupled cluster (VCC) and vibrational configuration interaction wave functions. Importance measures for individual mode combinations in the wave function are derived based on upper bounds to Hamiltonian matrix elements and/or the size of perturbative corrections derived in the framework of VCC. With a threshold, this enables an automatic, system-adapted way of choosing which mode-mode correlations are explicitly parameterized in the many-mode wave function. The effect of different importance measures and thresholds is investigated for zero-point energies and infrared spectra for formaldehyde and furan. Furthermore, the direct link between important mode-mode correlations and coordinates is illustrated employing water clusters as examples: Using optimized coordinates, a larger number of mode combinations can be neglected in the correlated many-mode vibrational wave function than with normal coordinates for the same accuracy. Moreover, the fraction of important mode-mode correlations compared to the total number of correlations decreases with system size. This underlines the potential gain in efficiency when using optimized coordinates in combination with a flexible scheme for choosing the mode-mode correlations included in the parameterization of the correlated many-mode vibrational wave function. All in all, it is found that the introduced schemes for parameterizing correlated many-mode vibrational wave functions lead to at least as systematic and accurate calculations as those using more standard and straightforward excitation level definitions. This new way of defining approximate calculations offers potential for future calculations on larger systems.

  14. Decoherence by coupling to internal vibrational modes

    NASA Astrophysics Data System (ADS)

    Brun, Todd A.; Mlodinow, Leonard

    2016-11-01

    We consider a composite system consisting of coupled particles, and investigate decoherence due to coupling of the center-of-mass degree of freedom to the internal vibrational degrees of freedom. For a composite system of bound particles, we show that in general such a decoherence effect exists, and leads to suppression of interference between different paths of the center-of-mass. For the special case of harmonically-bound particles moving in an external potential, we show that the coupling between the center-of-mass and internal degrees of freedom takes the form of parametric driving of the vibrational degrees of freedom, and that nontrivial coupling depends on the second derivative of the external potential. We find a solution to this parametric driving problem in one dimension for a fixed center-of-mass trajectory. We also propose a measure of compositeness, which quantifies the extent to which such a composite system cannot be approximated as a single, indivisible particle. We perform numerical simulations for a simple interference experiment, consisting of two wave packets scattering off of a square well, and show a close connection between suppression of interference and entanglement between the center-of-mass and internal degrees of freedom, which depends on the initial state of the internal mode. We also calculate the measure of compositeness for this system.

  15. Vibrationally-resolved polyatomic photoelectron spectroscopy: Mode-specific behavior

    NASA Astrophysics Data System (ADS)

    Rathbone, G. J.; Poliakoff, E. D.; Bozek, J. D.; Lucchese, R. R.

    2002-05-01

    We report the first vibrationally-resolved photoelectron spectra for polyatomic molecules performed over a broad spectral range. Such studies elucidate vibrationally mode-specific aspects of the photoelectron scattering dynamics. Three linear triatomic systems (CO_2, N_2O, and CS_2) are studied, and the results exhibit striking differences for alternative modes. For CO_2^+(C^2Σ_g^+), a continuum resonance results in a 15 eV wide dip for the symmetric stretch branching ratio, while strong peaks are observed for vibrational branching ratios associated with the two symmetry forbidden modes. For CS_2^+(B^2Σ_u^+), mode-specific behavior is displayed, as resonance enhancement of a single quantum excitation is weak for the symmetric stretch, but strong for the bending vibration. For N_2O^+(A^2Σ^+), many vibrational excitations are observed and families of vibrational branching ratio spectra emerge.

  16. Ultrasonic Motors Using Piezoelectric Ceramic Multi-Mode Vibrators

    NASA Astrophysics Data System (ADS)

    Takano, Takehiro; Tomikawa, Yoshiro; Ogasawara, Toshiharu; Sugawara, Sumio; Konnon, Masashi

    1988-01-01

    The purpose of this paper is to report development of an ultrasonic motor using piezoelectric ceramic multi-mode vibrators of circular or annular plates, in which degenerate horizontal vibration modes of the same or different form are used. Some constructions of the motor and its experimental characteristics are presented. The ultrasonic motor investigated herein shows special merit in its thin construction.

  17. Active structures to reduce torsional vibrations

    NASA Astrophysics Data System (ADS)

    Matthias, M.; Schlote, D.; Atzrodt, H.

    2013-03-01

    This paper describes the development of different active measures to reduce torsional vibrations in power trains. The measures are based on concepts developed for active mounts to reduce the transmission of structure-borne sound. To show the potential of these active measures and investigate their mode of operation to influence torsional vibrations, numerical simulations of powertrains with different active measures were done. First experimental results from tests on an experimental (reduced size) power train were used to align the numerical models. The work was done within the project 'LOEWE-Zentrum AdRIA: Adaptronik - Research, Innovation, Application' funded by the German federal state of Hessen, and the Project AKTos: 'Active control of torsional vibrations by coupling elements' placed in the research Framework program 'Navigation and Maritime Technology for the 21st Century' funded by the German Federal Ministry of Economics and Technology.

  18. Observation of Protein Structural Vibrational Mode Sensitivity to Ligand Binding

    NASA Astrophysics Data System (ADS)

    Niessen, Katherine; Xu, Mengyang; Snell, Edward; Markelz, Andrea

    2014-03-01

    We report the first measurements of the dependence of large-scale protein intramolecular vibrational modes on ligand binding. These collective vibrational modes in the terahertz (THz) frequency range (5-100 cm-1) are of great interest due to their predicted relation to protein function. Our technique, Crystals Anisotropy Terahertz Microscopy (CATM), allows for room temperature, table-top measurements of the optically active intramolecular modes. CATM measurements have revealed surprisingly narrowband features. CATM measurements are performed on single crystals of chicken egg-white lysozyme (CEWL) as well as CEWL bound to tri-N-acetylglucosamine (CEWL-3NAG) inhibitor. We find narrow band resonances that dramatically shift with binding. Quasiharmonic calculations are performed on CEWL and CEWL-3NAG proteins with CHARMM using normal mode analysis. The expected CATM response of the crystals is then calculated by summing over all protein orientations within the unit cell. We will compare the CATM measurements with the calculated results and discuss the changes which arise with protein-ligand binding. This work is supported by NSF grant MRI 2 grant DBI2959989.

  19. Active vibration isolation using smart structures

    NASA Technical Reports Server (NTRS)

    Guigou, C.; Wagstaff, P. R.; Fuller, C. R.

    1991-01-01

    Passive technologies for the isolation of structures from vibrating sources are often inadequate. Using active control inputs applied directly to the source or designing a structure integrating the transducers required for the control inputs and the response measurements are ways of dealing with the problem. Results are given which were obtained on an experimental set up simulating this kind of problem where the form and the position of the transducers could be varied. By measuring the response of the structure integrated over a particular area the effects of particular types of modes could be taken into account to deal with specific types of input or limit particular modes of response more efficiently. Results of using different modes of vibration excitation of the receiving structure with and without control are presented for particular input frequencies. The problems of optimizing the control system to deal with multiple frequency inputs are discussed.

  20. Vibrational modes of elongated sessile liquid droplets.

    PubMed

    Temperton, Robert H; Sharp, James S

    2013-04-16

    Vibrations of small (microliter) sessile liquid droplets were studied using a simple optical deflection technique. The droplets were made to elongate in one direction by taking advantage of the anisotropic wetting of the liquids on structured diffraction grating surfaces. They were vibrated by applying a puff of nitrogen gas. Motion of the droplets was monitored by scattering laser light from their surfaces. The scattered light was collected using a photodiode, and the resulting time-dependent intensity signals were Fourier-transformed to obtain the vibrational response of the drops. The vibrational spectra of elongated sessile drops were observed to contain two closely spaced peaks. A simple model that considers the frequency of capillary wave fluctuations on the surfaces of the drops was used to show that the vibrational frequencies of these peaks correspond to standing wave states that exist along the major and minor profile lengths of the droplets.

  1. Modular Wideband Active Vibration Absorber

    NASA Technical Reports Server (NTRS)

    Smith, David R.; Zewari, Wahid; Lee, Kenneth Y.

    1999-01-01

    A comparison of space experiments with previous missions shows a common theme. Some of the recent experiments are based on the scientific fundamentals of instruments of prior years. However, the main distinguishing characteristic is the embodiment of advances in engineering and manufacturing in order to extract clearer and sharper images and extend the limits of measurement. One area of importance to future missions is providing vibration free observation platforms at acceptable costs. It has been shown by researchers that vibration problems cannot be eliminated by passive isolation techniques alone. Therefore, various organizations have conducted research in the area of combining active and passive vibration control techniques. The essence of this paper is to present progress in what is believed to be a new concept in this arena. It is based on the notion that if one active element in a vibration transmission path can provide a reasonable vibration attenuation, two active elements in series may provide more control options and better results. The paper presents the functions of a modular split shaft linear actuator developed by NASA's Goddard Space Flight Center and University of Massachusetts Lowell. It discusses some of the control possibilities facilitated by the device. Some preliminary findings and problems are also discussed.

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

    PubMed

    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.

  3. Active vibration control of structures undergoing bending vibrations

    NASA Technical Reports Server (NTRS)

    Pla, Frederic G. (Inventor); Rajiyah, Harindra (Inventor)

    1995-01-01

    An active vibration control subassembly for a structure (such as a jet engine duct or a washing machine panel) undergoing bending vibrations caused by a source (such as the clothes agitator of the washing machine) independent of the subassembly. A piezoceramic actuator plate is vibratable by an applied electric AC signal. The plate is connected to the structure such that vibrations in the plate induced by the AC signal cause canceling bending vibrations in the structure and such that the plate is compressively pre-stressed along the structure when the structure is free of any bending vibrations. The compressive prestressing increases the amplitude of the canceling bending vibrations before the critical tensile stress level of the plate is reached. Preferably, a positive electric DC bias is also applied to the plate in its poling direction.

  4. The normal modes of lattice vibrations of ice XI

    PubMed Central

    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

  5. Quantitative measurements of vibration amplitude using a contact-mode freestanding triboelectric nanogenerator.

    PubMed

    Wang, Sihong; Niu, Simiao; Yang, Jin; Lin, Long; Wang, Zhong Lin

    2014-12-23

    A vibration sensor is usually designed to measure the vibration frequency but disregard the vibration amplitude, which is rather challenging to be quantified due to the requirement of linear response. Here, we show the application of triboelectric nanogenerator (TENG) as a self-powered tool for quantitative measurement of vibration amplitude based on an operation mode, the contact-mode freestanding triboelectric nanogenerator (CF-TENG). In this mode, the triboelectrically charged resonator can be agitated to vibrate between two stacked stationary electrodes. Under the working principle with a constant capacitance between two electrodes, the amplitudes of the electric signals are proportional to the vibration amplitude of the resonator (provided that the resonator plate is charged to saturation), which has been illuminated both theoretically and experimentally. Together with its capability in monitoring the vibration frequency, the CF-TENG appears as the triboelectrification-based active sensor that can give full quantitative information about a vibration. In addition, the CF-TENG is also demonstrated as a power source for electronic devices.

  6. Effects of induced vibration modes on droplet sliding phenomena

    NASA Astrophysics Data System (ADS)

    Mejia, Jose Eduardo; Alvarado, Jorge; Yao, Chun-Wei; Dropwise Condensation Collaboration; Engineered Surfaces Collaboration

    2016-11-01

    An analytical and experimental investigation has been undertaken to understand the effects of induced vibration modes on droplet sliding phenomena. A mathematical model has been postulated which is capable of estimating accurately droplet sliding angles when using hydrophobic and hydrophilic surfaces. The model, which takes into account equilibrium contact angle, contact angle hysteresis, and droplet volume, has been validated using experimental data. The model has been modified to be able to estimate droplet sliding angle when different modes of vibrations are imposed on the surfaces. Experimental results to date reveal that when resonance modes of vibrations are imposed, the droplet sliding angles decrease considerably. The results also indicate that the modified model can be used effectively to relate imposed resonance frequencies to the critical sliding angle of droplets. LSAMP sponsored NSF Fellowship.

  7. Surface vibrational modes in disk-shaped resonators.

    PubMed

    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.

  8. Gait Patterns of Quadrupeds and Natural Vibration Modes

    NASA Astrophysics Data System (ADS)

    Kurita, Yutaka; Matsumura, Yuichi; Kanda, Shinichi; Kinugasa, Hironao

    Quadruped animals switch gait patterns with speed for energy-effective movement. This is similar to the phenomenon that excited natural vibration modes switch with vibration frequency in a multi-degree-of-freedom system. Therefore, in this paper, it is assumed that quadruped animals move by using the natural vibration of their own musculoskeletal systems. In the simplest rigid-body-link model consisting of one body and four legs, there are natural vibration modes similar to the gait patterns (trot, pace, and gallop) of quadruped animals. However, all the natural frequencies in the model exist near the natural frequency of the free leg and are accordingly different from the walking frequencies of actual quadruped animals. When a scapula and a pelvis are added to the rigid-body-link model on the basis of observations of quadruped motion, the natural frequency of the gallop mode used at high speed increases greatly and approaches the walking frequency. If the body characteristics of a horse are applied to the rigid-body-link model with leg joints, the natural vibration modes of the model are close to the gait patterns of the horse.

  9. An ultrasonic atomizing device using coupled-mode vibration

    NASA Astrophysics Data System (ADS)

    Toda, Kohji; Akimura, Yoshikazu

    1994-10-01

    A small, compact ultrasonic atomizing device is composed of a rectangular piezoelectric ceramic bar and a metal plate with minute holes. The resonance arising from the coupling between two vibration modes in the ceramic bar is used for the effective device operation. The best atomizing occurs when one of the coupled-mode resonant frequencies of the atomizing device is equal to that of the device without the metal vibrating plate. For an efficient power usage a self-oscillation type circuit, composed of the atomizing device as a resonant element and a power amplification transistor, is utilized.

  10. Intermolecular Vibrational Modes Speed Up Singlet Fission in Perylenediimide Crystals.

    PubMed

    Renaud, Nicolas; Grozema, Ferdinand C

    2015-02-05

    We report numerical simulations based on a non-Markovian density matrix propagation scheme of singlet fission (SF) in molecular crystals. Ab initio electronic structure calculations were used to parametrize the exciton and phonon Hamiltonian as well as the interactions between the exciton and the intramolecular and intermolecular vibrational modes. We demonstrate that the interactions of the exciton with intermolecular vibrational modes are highly sensitive to the stacking geometry of the crystal and can, in certain cases, significantly accelerate SF. This result may help in understanding the fast SF experimentally observed in a broad range of molecular crystals and offers a new direction for the engineering of efficient SF sensitizers.

  11. Active Vibration Dampers For Rotating Machinery

    NASA Technical Reports Server (NTRS)

    Kascack, Albert F.; Ropchock, John J.; Lakatos, Tomas F.; Montague, Gerald T.; Palazzolo, Alan; Lin, Reng Rong

    1994-01-01

    Active dampers developed to suppress vibrations in rotating machinery. Essentially feedback control systems and reciprocating piezoelectric actuators. Similar active damper containing different actuators described in LEW-14488. Concept also applicable to suppression of vibrations in stationary structures subject to winds and earthquakes. Active damper offers adjustable suppression of vibrations. Small and lightweight and responds faster to transients.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

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

    2017-03-22

    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.

  14. Vibrational Overtone Activation of Methylcyclopropene

    DTIC Science & Technology

    1993-05-27

    the 5-0 vinyl and methyl CH stretches were determined using gas chromotography . Product ratios of 1,3-butadiene to 2-butyne were measured as a...methylenic and methyl vibrational progressions. Product yields from activation through the 5-0 vinyl and methyl CH stretches were determined using gas ... chromotography . Product ratios of 1,3-butadiene to 2-butyne were measured as a function of pressure and compared to the RRKM predicted yields. After careful

  15. Dissociative electron attachment and vibrational excitation of CF3Cl: Effect of two vibrational modes revisited

    NASA Astrophysics Data System (ADS)

    Tarana, Michal; Houfek, Karel; Horáček, Jiří; Fabrikant, Ilya I.

    2011-11-01

    We present a study of dissociative electron attachment and vibrational excitation processes in electron collisions with the CF3Cl molecule. The calculations are based on the two-dimensional nuclear dynamics including the C-Cl symmetric stretch coordinate and the CF3 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.

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

    PubMed

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

    2015-06-21

    We report infrared spectra of nitromethane anion, CH3NO2 (-), in the region 700-2150 cm(-1), obtained by Ar predissociation spectroscopy and electron detachment spectroscopy. The data are interpreted in the framework of second-order vibrational perturbation theory based on coupled-cluster electronic structure calculations. The modes in the spectroscopic region studied here are mainly based on vibrations involving the heavier atoms; this work complements earlier studies on nitromethane anion that focused on the CH stretching region of the spectrum. Electron detachment begins at photon energies far below the adiabatic electron affinity due to thermal population of excited vibrational states.

  17. Sliding mode control of wind-induced vibrations using fuzzy sliding surface and gain adaptation

    NASA Astrophysics Data System (ADS)

    Thenozhi, Suresh; Yu, Wen

    2016-04-01

    Although fuzzy/adaptive sliding mode control can reduce the chattering problem in structural vibration control applications, they require the equivalent control and the upper bounds of the system uncertainties. In this paper, we used fuzzy logic to approximate the standard sliding surface and designed a dead-zone adaptive law for tuning the switching gain of the sliding mode control. The stability of the proposed controller is established using Lyapunov stability theory. A six-storey building prototype equipped with an active mass damper has been used to demonstrate the effectiveness of the proposed controller towards the wind-induced vibrations.

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

    PubMed

    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.

  19. Symmetry of C60 and a Force Constant Model for Vibrational Modes

    NASA Astrophysics Data System (ADS)

    Koç, Ramazan; Tütüncüler, Hayriye

    1998-02-01

    A force-constant model for the vibrational modes in C60 is presented. The Keating type potential is adopted for calculating the dynamical matrix. Using symmetries of the molecule, the dynamical matrix which yields the vibrational modes is block-diagonalized. We summarize the role of group theory in specifying the vibrational modes. The results are in excellent agreement with experiments. The effect of bond-stretching force constants on the vibrational modes will be presented.

  20. Vibrational modes of the vinyl and deuterated vinyl radicals.

    PubMed

    Nikow, Matthew; Wilhelm, Michael J; Dai, Hai-Lung

    2009-08-06

    Following the initial report of the detection of fundamental transitions of all nine vibrational modes of the vinyl radical [Letendre , L. ; Liu , D.-K. ; Pibel , C. D. ; Halpern , J. B. ; Dai , H.-L. J. Chem. Phys. 2000 , 112 , 9209] by time-resolved IR emission spectroscopy, we have re-examined the assignments of the vibrational modes through isotope substitution. Precursor molecules vinyl chloride-d3, vinyl bromide-d3, and 1,3-butadiene-d6 are used for generating vibrationally excited vinyl-d3 through 193 nm photolysis. The nondeuterated versions of these molecules along with vinyl iodide and methyl vinyl ketone are used as precursors for the production of vinyl-h3. IR emission following the 193 nm photolysis laser pulse is recorded with nanosecond time and approximately 8 cm(-1) frequency resolution. A room-temperature acetylene gas cell is used as a filter to remove the fundamental transitions of acetylene, a photolysis product, in order to reduce the complexity of the emission spectra. Two-dimensional cross-spectra correlation analysis is used to identify the emission bands from the same emitting species and improve the S/N of the emission spectra. Isotope substitution allows the identification of several low-frequency vibrational modes. For C2H3, the assigned modes are the nu4 (CC stretch) at 1595, nu5 (CH2 symmetric bend) at 1401, nu6 (CH2 asymmetric + alpha-CH bend) at 1074, nu8 (CH2 + alpha-CH symmetric out-of-plane (oop) bend) at 944, and nu9 (CH2 + alpha-CH asymmetric oop bend) at 897 cm(-1). For C2D3, the modes are the nu5 (CD2 symmetric bend) at 1060, nu6 (CD2 asymmetric + alpha-CD bend) at 820, and nu8 (CD2 + alpha-CD symmetric oop bend) at 728 cm(-1).

  1. A violin shell model: vibrational modes and acoustics.

    PubMed

    Gough, Colin E

    2015-03-01

    A generic physical model for the vibro-acoustic modes of the violin is described treating the body shell as a shallow, thin-walled, guitar-shaped, box structure with doubly arched top and back plates. comsol finite element, shell structure, software is used to identify and understand the vibrational modes of a simply modeled violin. This identifies the relationship between the freely supported plate modes when coupled together by the ribs and the modes of the assembled body shell. Such coupling results in a relatively small number of eigenmodes or component shell modes, of which a single volume-changing breathing mode is shown to be responsible for almost all the sound radiated in the monopole signature mode regime below ∼1 kHz for the violin, whether directly or by excitation of the Helmholtz f-hole resonance. The computations describe the influence on such modes of material properties, arching, plate thickness, elastic anisotropy, f-holes cut into the top plate, the bass-bar, coupling to internal air modes, the rigid neck-fingerboard assembly, and, most importantly, the soundpost. Because the shell modes are largely determined by the symmetry of the guitar-shaped body, the model is applicable to all instruments of the violin family.

  2. Nonlinear mode coupling and vibrational energy transfer in Yukawa clusters

    NASA Astrophysics Data System (ADS)

    Qiao, Ke; Kong, Jie; Matthews, Lorin; Hyde, Truell

    2015-11-01

    Nonlinear mode coupling and the subsequent vibrational energy transfer that results is an important topic in chemical physics research, ranging from small molecules consisting of several atoms to macromolecules such as those found in proteins and DNA. Nonlinear mode coupling is recognized as the mechanism leading to ergodicity, which is a foundational tenet of statistical mechanics. Over the past two decades, Yukawa systems of particles such as those found in complex plasma, have been shown to be an effective model across a large number of physical systems. In this research, nonlinear mode coupling in Yukawa clusters consisting of 3-10 particles is examined via numerical simulation of the vibrational energy transfer between modes starting from an initial excited state. The relationship between the energy transfer process and the internal resonance between modes having a specified frequency ratio and the temporal evolution of the system to a state of equal energy across all modes, i.e., the state of ergodicity, will be discussed. Support from the NSF and the DOE (award numbers PHY-1262031 and PHY-1414523) is gratefully acknowledged.

  3. Vibrationally mode-specific excitation in molecular photoionization

    NASA Astrophysics Data System (ADS)

    Poliakoff, Erwin

    2003-05-01

    Recent measurements on the photoionization of polyatomic molecules demonstrate that excitations of nominally forbidden vibrations are surprisingly intense, and that their energy dependences elucidate why they are occurring. The unifying theme underscored by these results is that the continuum photoelectron exerts tremendous influence on which vibrations are excited and the degree of excitation. These data are generated via high resolution photoelectron spectroscopy coupled with high brightness synchrotron radiation. Results are presented on the linear triatomic systems CO_2, CS_2, and N_2O. For these molecules, all vibrational modes are excited. Moreover, the energy dependences for the alternative vibrational modes exhibit dramatic differences, which are attributed to the degree and type of localization experienced by the continuum photoelectron in the molecular framework. And while the electronic structures of these molecules are very similar, they behave very differently from each other, even over a very broad energy range. Theoretical results by Prof. R.R. Lucchese will be discussed, and the comparison with experiment helps to illustrate the state of our understanding of these phenomena. In addition to the linear triatomics, preliminary results will be reported on BF_3, as well as a van der Waals dimer, Ar_2.

  4. Nonlinear terahertz coherent excitation of vibrational modes of liquids.

    PubMed

    Allodi, Marco A; Finneran, Ian A; Blake, Geoffrey A

    2015-12-21

    We report the first coherent excitation of intramolecular vibrational modes via the nonlinear interaction of a TeraHertz (THz) light field with molecular liquids. A terahertz-terahertz-Raman pulse sequence prepares the coherences with a broadband, high-energy, (sub)picosecond terahertz pulse, that are then measured in a terahertz Kerr effect spectrometer via phase-sensitive, heterodyne detection with an optical pulse. The spectrometer reported here has broader terahertz frequency coverage, and an increased sensitivity relative to previously reported terahertz Kerr effect experiments. Vibrational coherences are observed in liquid diiodomethane at 3.66 THz (122 cm(-1)), and in carbon tetrachloride at 6.50 THz (217 cm(-1)), in exact agreement with literature values of those intramolecular modes. This work opens the door to 2D spectroscopies, nonlinear in terahertz field, that can study the dynamics of condensed-phase molecular systems, as well as coherent control at terahertz frequencies.

  5. Nonlinear terahertz coherent excitation of vibrational modes of liquids

    NASA Astrophysics Data System (ADS)

    Allodi, Marco A.; Finneran, Ian A.; Blake, Geoffrey A.

    2015-12-01

    We report the first coherent excitation of intramolecular vibrational modes via the nonlinear interaction of a TeraHertz (THz) light field with molecular liquids. A terahertz-terahertz-Raman pulse sequence prepares the coherences with a broadband, high-energy, (sub)picosecond terahertz pulse, that are then measured in a terahertz Kerr effect spectrometer via phase-sensitive, heterodyne detection with an optical pulse. The spectrometer reported here has broader terahertz frequency coverage, and an increased sensitivity relative to previously reported terahertz Kerr effect experiments. Vibrational coherences are observed in liquid diiodomethane at 3.66 THz (122 cm-1), and in carbon tetrachloride at 6.50 THz (217 cm-1), in exact agreement with literature values of those intramolecular modes. This work opens the door to 2D spectroscopies, nonlinear in terahertz field, that can study the dynamics of condensed-phase molecular systems, as well as coherent control at terahertz frequencies.

  6. Intramolecular vibrational modes of polychlorodibenzo- p-dioxines of the D 2 h symmetry

    NASA Astrophysics Data System (ADS)

    Klimenko, V. G.; Nurmukhametov, R. N.; Gastilovich, E. A.; Lebedev, S. A.

    2000-03-01

    The infrared and Raman spectra of the octachlorodibenzo- p-dioxine molecule are measured and all normal vibrational modes of the molecule are calculated. Each vibrational mode was assigned to the vibrations of certain functional groups of atoms in the molecule, taking into account the local symmetry characteristics of the vibration mode. A correlation of vibrational modes by their shape was established in a series of molecules: dibenzo- p-dioxine, 2,3,7,8-tetrachlorodibenzo- p-dioxine, and OCDX. The influence of substituents on vibrational frequencies was also examined.

  7. Vibrational modes identify soft spots in a sheared disordered packing.

    PubMed

    Manning, M L; Liu, A J

    2011-09-02

    We analyze low-frequency vibrational modes in a two-dimensional, zero-temperature, quasistatically sheared model glass to identify a population of structural "soft spots" where particle rearrangements are initiated. The population of spots evolves slowly compared to the interval between particle rearrangements, and the soft spots are structurally different from the rest of the system. Our results suggest that disordered solids flow via localized rearrangements that tend to occur at soft spots, which are analogous to dislocations in crystalline solids.

  8. A lead-free piezoelectric transformer in radial vibration modes.

    PubMed

    Guo, Mingsen; Lin, D M; Lam, K H; Wang, S; Chan, Helen L W; Zhao, X Z

    2007-03-01

    In this study, a disk-shaped piezoelectric transformer was fabricated using lead-free (K,Na)NbO(3)-based ceramics with high mechanical quality factor. The transformer can operate in the fundamental or the third radial vibration mode. The transformer is poled along the thickness direction. The top surface is covered by ring/dot silver electrodes separated by an annular gap which serve as the input and output parts of the transformer, respectively. The bottom surface, fully covered with a silver electrode, is grounded as a common electrode. The dimensions of the top ring/dot electrodes are designed such that the third radial vibration mode can be strongly excited. The electrical properties of the transformer with diameter of 34.2 mm and thickness of 1.9 mm were measured. For a temperature rise of 35 degrees C, the transformer has a maximum output power of 12 W. With the matching load, its maximum efficiency is >95%, and maximum voltage gains are 6.5 and 3.9 for the fundamental and the third radial vibration modes, respectively. It has potential to be used in power supply units and other electronic circuits.

  9. Vibrational modes of ultrathin carbon nanomembrane mechanical resonators

    SciTech Connect

    Zhang, Xianghui E-mail: elke.scheer@uni-konstanz.de; Angelova, Polina; Gölzhäuser, Armin; Waitz, Reimar; Yang, Fan; Lutz, Carolin; Scheer, Elke E-mail: elke.scheer@uni-konstanz.de

    2015-02-09

    We report measurements of vibrational mode shapes of mechanical resonators made from ultrathin carbon nanomembranes (CNMs) with a thickness of approximately 1 nm. CNMs are prepared from electron irradiation induced cross-linking of aromatic self-assembled monolayers and the variation of membrane thickness and/or density can be achieved by varying the precursor molecule. Single- and triple-layer freestanding CNMs were made by transferring them onto Si substrates with square/rectangular orifices. The vibration of the membrane was actuated by applying a sinusoidal voltage to a piezoelectric disk on which the sample was glued. The vibrational mode shapes were visualized with an imaging Mirau interferometer using a stroboscopic light source. Several mode shapes of a square membrane can be readily identified and their dynamic behavior can be well described by linear response theory of a membrane with negligible bending rigidity. By applying Fourier transformations to the time-dependent surface profiles, the dispersion relation of the transverse membrane waves can be obtained and its linear behavior verifies the membrane model. By comparing the dispersion relation to an analytical model, the static stress of the membranes was determined and found to be caused by the fabrication process.

  10. A single vibration mode tubular piezoelectric ultrasonic motor.

    PubMed

    He, Siyuan; Chiarot, Paul R; Park, Soonho

    2011-05-01

    A novel tubular ultrasonic motor is presented that uses only a single vibration bending mode of a piezoelectric tube to generate rotation. When the piezoelectric tube bends, the diagonal motion of points on selected areas at the ends of the tube generates forces with tangential components along the same circumferential direction, driving the rotors to rotate. Bi-directional motion is achieved by simply switching the direction of bending. Because only one vibration mode is used, the motor requires only one driving signal and no vibration mode coupling is needed, simplifying the design, fabrication, assembly, and operation of the device. Two prototypes [one with cut-in lead zirconate titanate (PZT) teeth and one with added metal teeth] were built and tested using PZT tubes available to the authors. The tubes have an outside diameter of 6.6 mm, inner diameter of 5.0 mm, and length of 25.4 mm. The working frequencies of the two motors are 27.6 and 23.5 kHz. The motors achieved a maximum no-load speed of 400 rpm and a stall torque of 300 μN·m.

  11. Vibrational energy transport in molecules and the statistical properties of vibrational modes

    NASA Astrophysics Data System (ADS)

    Pandey, Hari Datt; Leitner, David M.

    2017-01-01

    Statistical properties of the eigenmodes computed for two molecules, dodecane and perfluorododecane, are examined and compared with predictions of random matrix theory. The eigenmode statistics of the heat carrying modes of perfluorododecane correspond to Porter-Thomas statistics, whereas those for dodecane do not. Vibrational energy transport in the two molecules is also computed and found to be diffusive in perfluorododecane but not in dodecane, consistent with recent experiments. The correspondence between eigenmode statistics and vibrational energy transport dynamics in molecules as well as thermalization in molecules are discussed.

  12. Active damping of modal vibrations by force apportioning. [for spacecraft structures

    NASA Technical Reports Server (NTRS)

    Hallauer, W. L., Jr.; Barthelemy, J.-F. M.

    1980-01-01

    The theory and numerical simulation of active structural damping is described which requires few discrete control thrusters positioned on the structure. A particular apportioning of coherently phased control forces is applied for each vibration mode which is to be damped; this strongly affects the damped vibration mode, while minimally exciting all other modes. The force apportioning used is that which would tune a target mode if the structure was being shaken in a model vibration test. In contrast to model testing, the forces are varied temporally so as to dampen, rather than excite, the target mode(s).

  13. Active Suppression Of Vibrations On Aircraft Structures

    NASA Technical Reports Server (NTRS)

    Maestrello, Lucio

    1995-01-01

    Method of active suppression of nonlinear and nonstationary vibrations developed to reduce sonic fatigue and interior noise in high-speed aircraft. Structure of aircraft exhibits periodic, chaotic, and random vibrations when forced by high-intensity sound from jet engines, shock waves, turbulence, and separated flows. Method of suppressing vibrations involves feedback control: Strain gauges or other sensors mounted in paths of propagation of vibrations on structure sense vibrations; outputs of sensors processed into control signal applied to actuator mounted on structure, inducing compensatory forces.

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

    SciTech Connect

    Li Hui; Ou Jinping

    2008-07-08

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

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

    SciTech Connect

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

    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.

  16. Terahertz vibrational modes of the rigid crystal phase of succinonitrile.

    PubMed

    Nickel, Daniel V; Delaney, Sean P; Bian, Hongtao; Zheng, Junrong; Korter, Timothy M; Mittleman, Daniel M

    2014-04-03

    Succinonitrile (N ≡ C-CH2-CH2-C ≡ N), an orientationally disordered molecular plastic crystal at room temperature, exhibits rich phase behavior including a solid-solid phase transition at 238 K. In cooling through this phase transition, the high-temperature rotational disorder of the plastic crystal phase is frozen out, forming a rigid crystal that is both spatially and orientationally ordered. Using temperature-dependent terahertz time-domain spectroscopy, we characterize the vibrational modes of this low-temperature crystalline phase for frequencies from 0.3 to 2.7 THz and temperatures ranging from 20 to 220 K. Vibrational modes are observed at 1.122 and 2.33 THz at 90 K. These modes are assigned by solid-state density functional theory simulations, corresponding respectively to the translation and rotation of the molecules along and about their crystallographic c-axis. In addition, we observe a suppression of the phonon modes as the concentration of dopants, in this case a lithium salt (LiTFSI), increases, indicating the importance of doping-induced disorder in these ionic conductors.

  17. Azimuthal asymmetries and vibrational modes in bubble pinch-off

    NASA Astrophysics Data System (ADS)

    Schmidt, Laura E.

    The pressure-driven inertial collapse of a cylindrical void in an inviscid liquid is an integrable, Hamiltonian system that forms a finite-time singularity as the radius of the void collapses to zero. Here it is shown that when the natural cylindrical symmetry of the void is perturbed azimuthally, the perturbation modes neither grow nor decay, but instead cause constant amplitude vibrations about the leading-order symmetric collapse. Though the amplitudes are frozen in time, they grow relative to the mean radius which is collapsing to zero, eventually overtaking the leading-order symmetric implosion. Including weak viscous dissipation destroys the integrability of the underlying symmetric implosion, and the effect on the stability spectrum is that short-wavelength disturbances are now erased as the implosion proceeds. Introducing a weak rotational flow component to the symmetric implosion dynamics causes the vibrating shapes to spin as the mean radius collapses. The above theoretical scenario is compared to a closely related experimental realization of void implosion: the disconnection of an air bubble from an underwater nozzle. There, the thin neck connecting the bubble to the nozzle implodes primarily radially inward and disconnects. Recent experiments were able to induce vibrations of the neck shape by releasing the bubble from a slot-shaped nozzle. The frequency and amplitude of the observed vibrations are consistent with the theoretical prediction once surface tension effects are taken into account.

  18. Vibration-Rotation Relaxation Using Mode Locked and Q-Switch Gas Lasers.

    DTIC Science & Technology

    equilibration of the vibrational modes among themselves is typically 100-1000 times faster than the rate of equilibration of the vibrational degrees of...been developed which provides insight into the paths by which the vibrational modes of this molecule come into equilibrium with each other. Such maps

  19. Vibration mode analysis of the proton exchange membrane fuel cell stack

    NASA Astrophysics Data System (ADS)

    Liu, B.; Liu, L. F.; Wei, M. Y.; Wu, C. W.

    2016-11-01

    Proton exchange membrane fuel cell (PEMFC) stacks usually undergo vibration during packing, transportation, and serving time, in particular for those used in the automobiles or portable equipment. To study the stack vibration response, based on finite element method (FEM), a mode analysis is carried out in the present paper. Using this method, we can distinguish the local vibration from the stack global modes, predict the vibration responses, such as deformed shape and direction, and discuss the effects of the clamping configuration and the clamping force magnitude on vibration modes. It is found that when the total clamping force remains the same, increasing the bolt number can strengthen the stack resistance to vibration in the clamping direction, but cannot obviously strengthen stack resistance to vibration in the translations perpendicular to clamping direction and the three axis rotations. Increasing the total clamping force can increase both of the stack global mode and the bolt local mode frequencies, but will decrease the gasket local mode frequency.

  20. Elastic moduli and vibrational modes in jammed particulate packings

    NASA Astrophysics Data System (ADS)

    Mizuno, Hideyuki; Saitoh, Kuniyasu; Silbert, Leonardo E.

    2016-06-01

    When we elastically impose a homogeneous, affine deformation on amorphous solids, they also undergo an inhomogeneous, nonaffine deformation, which can have a crucial impact on the overall elastic response. To correctly understand the elastic modulus M , it is therefore necessary to take into account not only the affine modulus MA, but also the nonaffine modulus MN that arises from the nonaffine deformation. In the present work, we study the bulk (M =K ) and shear (M =G ) moduli in static jammed particulate packings over a range of packing fractions φ . The affine MA is determined essentially by the static structural arrangement of particles, whereas the nonaffine MN is related to the vibrational eigenmodes. We elucidate the contribution of each vibrational mode to the nonaffine MN through a modal decomposition of the displacement and force fields. In the vicinity of the (un)jamming transition φc, the vibrational density of states g (ω ) shows a plateau in the intermediate-frequency regime above a characteristic frequency ω*. We illustrate that this unusual feature apparent in g (ω ) is reflected in the behavior of MN: As φ →φc , where ω*→0 , those modes for ω <ω* contribute less and less, while contributions from those for ω >ω* approach a constant value which results in MN to approach a critical value MN c, as MN-MN c˜ω* . At φc itself, the bulk modulus attains a finite value Kc=KA c-KN c>0 , such that KN c has a value that remains below KA c. In contrast, for the critical shear modulus Gc, GN c and GA c approach the same value so that the total value becomes exactly zero, Gc=GA c-GN c=0 . We explore what features of the configurational and vibrational properties cause such a distinction between K and G , allowing us to validate analytical expressions for their critical values.

  1. Characterization of dopant diffusion within semiconducting polymer and small-molecule films using infrared-active vibrational modes and attenuated total reflectance infrared spectroscopy.

    PubMed

    Maliakal, Ashok J

    2013-09-11

    Understanding dopant diffusion within organic and polymeric semiconductors is of great importance toward the development of organic photovoltaic and electronic devices, many of which require layered structures with controlled doping profiles (e.g., p-n and p-i-n structures). The current paper demonstrates a new method to determine the diffusion and permeability coefficients for dopant diffusion within polymeric and small-molecule organic semiconductors using attenuated total reflectance infrared (ATR-IR) spectroscopy and taking advantage of the intense IR-active vibrational bands created when dopants such as iodine accept charge from a semiconducting polymer to generate polaronic species. The diffusion and permeability coefficients for iodine within poly(3-hexylthiophene) (P3HT) are determined to be 2.5×10(-11)±1.2×10(-11) cm2/s and 2.4×10(-8)±1.2×10(-8) cm2/s·atm, respectively. The approach is applied to P3HT/PCBM (1:1 mass ratio) films, and the diffusion and permeability coefficients through these composite films are determined to be 7.8×10(-11)±2.8×10(-11) cm2/s and 4.8×10(-8)±1.3×10(-8) cm2/s·atm, respectively. Finally, the approach is extended to determining iodine diffusion within the polycrystalline semiconductor tetraphenylporphyrin (TPP) in a bilayer film with P3HT, and the diffusion coefficient of iodine through TPP is determined to be 7.1×10(-14)±1.1×10(-14) cm2/s. Although the current paper determines diffusion and permeability for the dopant iodine, this approach should be applicable to a wide array of dopants and polymeric and small-molecule semiconductors of interest in photovoltaic and electronic applications.

  2. Damage Identification Dependence on Number of Vibration Modes Using Mode Shape Curvature Squares

    NASA Astrophysics Data System (ADS)

    Janeliukstis, R.; Rucevskis, S.; Wesolowski, M.; Chate, A.

    2016-09-01

    In this paper a damage identification algorithm for multiple damage sites based on mode shape curvature square method of vibration mode shapes in aluminium beam is reported. The required mode shape curvature of a healthy structure was obtained via interpolation of mode shape curvature of a damaged structure with Fourier series functions of different orders. Algorithm employed calculations of standardized damage index distributions over beam coordinate. Finite element simulations of proposed methodology involving various artificial noise levels and reduction of mode shape input data points were validated on the damage identification results of experimentally measured mode shapes which were measured using scanning laser vibrometer. Results show that the algorithm is capable of capturing the areas of damage. The term called damage estimate reliability was introduced in terms of likelihood of the chosen approximation function to capture the location of damage.

  3. Light scattering from acoustic vibrational modes in confined structures

    NASA Astrophysics Data System (ADS)

    Bandhu, Rudra Shyam

    The acoustic vibrational modes and their light scattering intensities in confined structures such as supported films, double layer free-standing membrane and sub-micron sized wires on a free-standing membrane have been studied using Brillouin Light Scattering (BLS). Standing wave type acoustic phonons were recently observed in supported thin films of silicon oxy-nitride. We build upon this finding to study the acoustic modes in thin zinc selenide (ZnSe) films on gallium arsenide (GaAs). The surprising behaviour of the Brillouin intensities of the standing wave modes in ZnSe are explained in terms of interference of the elasto-optic scattering amplitudes from the film and substrate. Numerical calculations of the scattering cross-section, which takes into account ripple and elasto-optic scattering mechanism, agrees well with the experimental data. Light scattering studies of standing wave type modes in free-standing polymethyl methacrylate (PMMA) layer on Si3N4 were carried out. In these bilayer structures PMMA is much softer than Si3N 4, a property that leads to confinement of low frequency modes associated with the PMMA layer to within its boundaries. In addition, the flexural and the dilatational modes from the Si3N4 layer are observed and are found to hybridize with the standing wave modes from the PMMA layer. Our study of phonon modes in PMMA wires supported on a free-standing Si3N4 membrane extends our work on free-standing double layer membranes. In recent years there is much interest in the study of phonon modes in nano-scale structures such as wires or dots. Although much theoretical work has been carried out in this direction, no experiments exist that explore the dispersion of the phonon modes in such structures. Brillouin Light scattering is ideally suited for studying phonons in such reduced dimensions and our work represents the first effort in this direction. The spectra reveal modes which are quantized both along the width, as well along the thickness

  4. Actively controlled vibration welding system and method

    DOEpatents

    Cai, Wayne W.; Kang, Bongsu; Tan, Chin-An

    2013-04-02

    A vibration welding system includes a controller, welding horn, an active material element, and anvil assembly. The assembly may include an anvil body connected to a back plate and support member. The element, e.g., a piezoelectric stack or shape memory alloy, is positioned with respect to the assembly. The horn vibrates in a desirable first direction to form a weld on a work piece. The element controls any vibrations in a second direction by applying calibrated response to the anvil body in the second direction. A method for controlling undesirable vibrations in the system includes positioning the element with respect to the anvil assembly, connecting the anvil body to the support member through the back plate, vibrating the horn in a desirable first direction, and transmitting an input signal to the element to control vibration in an undesirable second direction.

  5. Vibration control of an active mirror pointing system

    NASA Astrophysics Data System (ADS)

    Su, Joseph C.; Huang, Chien Y.; Austin, Fred; Knowles, Gareth J.

    1993-09-01

    An active vibration control experiment for precision mirror pointing using smart structure is described. The setup consists of a flexible plate clamped to the shaft of an electric motor. Part of the plate is polished to reflect a laser beam whose direction accuracy is the performance criterion. Electroceramic actuators and sensors are incorporated into the plate to control vibration. The analytical model is generated using the ANSYS program. Six flexible modes are kept to investigate the interaction between the rigid and the flexible modes. Three different control strategies were examined. The goal is to suppress the first and the second mode with very little spillover effects from other modes. Simulation results show that the performance objectives can be met. These analytical studies are verified in actual experiments in the near future.

  6. Vibrational relaxation pathways of amide I and amide II modes in N-methylacetamide.

    PubMed

    Piatkowski, L; Bakker, H J

    2012-04-28

    We studied the vibrational energy relaxation mechanisms of the amide I and amide II modes of N-methylacetamide (NMA) monomers dissolved in bromoform using polarization-resolved femtosecond two-color vibrational spectroscopy. The results show that the excited amide I vibration transfers its excitation energy to the amide II vibration with a time constant of 8.3 ± 1 ps. In addition to this energy exchange process, we observe that the excited amide I and amide II vibrations both relax to a final thermal state. For the amide I mode this latter process dominates the vibrational relaxation of this mode. We find that the vibrational relaxation of the amide I mode depends on frequency which can be well explained from the presence of two subbands with different vibrational lifetimes (~1.1 ps on the low frequency side and ~2.7 ps on the high frequency side) in the amide I absorption spectrum.

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

    PubMed

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

    2014-04-01

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

  8. Integrated active sensor system for real time vibration monitoring.

    PubMed

    Liang, Qijie; Yan, Xiaoqin; Liao, Xinqin; Cao, Shiyao; Lu, Shengnan; Zheng, Xin; Zhang, Yue

    2015-11-05

    We report a self-powered, lightweight and cost-effective active sensor system for vibration monitoring with multiplexed operation based on contact electrification between sensor and detected objects. The as-fabricated sensor matrix is capable of monitoring and mapping the vibration state of large amounts of units. The monitoring contents include: on-off state, vibration frequency and vibration amplitude of each unit. The active sensor system delivers a detection range of 0-60 Hz, high accuracy (relative error below 0.42%), long-term stability (10000 cycles). On the time dimension, the sensor can provide the vibration process memory by recording the outputs of the sensor system in an extend period of time. Besides, the developed sensor system can realize detection under contact mode and non-contact mode. Its high performance is not sensitive to the shape or the conductivity of the detected object. With these features, the active sensor system has great potential in automatic control, remote operation, surveillance and security systems.

  9. Integrated active sensor system for real time vibration monitoring

    PubMed Central

    Liang, Qijie; Yan, Xiaoqin; Liao, Xinqin; Cao, Shiyao; Lu, Shengnan; Zheng, Xin; Zhang, Yue

    2015-01-01

    We report a self-powered, lightweight and cost-effective active sensor system for vibration monitoring with multiplexed operation based on contact electrification between sensor and detected objects. The as-fabricated sensor matrix is capable of monitoring and mapping the vibration state of large amounts of units. The monitoring contents include: on-off state, vibration frequency and vibration amplitude of each unit. The active sensor system delivers a detection range of 0–60 Hz, high accuracy (relative error below 0.42%), long-term stability (10000 cycles). On the time dimension, the sensor can provide the vibration process memory by recording the outputs of the sensor system in an extend period of time. Besides, the developed sensor system can realize detection under contact mode and non-contact mode. Its high performance is not sensitive to the shape or the conductivity of the detected object. With these features, the active sensor system has great potential in automatic control, remote operation, surveillance and security systems. PMID:26538293

  10. Modeling and simulation of vibrational breathing-like modes in individual multiwalled carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Sbai, K.; Rahmani, A.; Fakrach, B.; Chadli, H.; Benhamou, M.

    2014-02-01

    We study the collective vibrational breathing modes in the Raman spectrum of multiwalled carbon nanotubes (MCNTs). First, a bond polarization theory and the spectral moment's method (SMM) are used to calculate the non-resonant Raman frequencies of the breathing-like modes (BLMs) and the tangential-like ones (TLMs). Second, the Raman active modes of MCNTs are computed for different diameters and numbers of layers. The obtained low frequency modes in MCNTs can be identified to each single-walled carbon nanotubes. These modes that originate from the radial breathing ones of the individual walls are strongly coupled through the concentric tube-tube van der Waals interaction. The calculated BLMs in the low-frequency region are compared with the experimental Raman data obtained from other studies. Finally, special attention is given to the comparison with Raman data on MCNTs composed of six layers.

  11. Persistent Infrared Spectral Hole-Burning for Impurity Vibrational Modes in Solids.

    DTIC Science & Technology

    1986-09-30

    Contract N00014-84-C-0708 R&T Code 413a001---01 Technical Report No. 7 Persistent Infrared Spectral Hole-Burning for Impurity Vibrational Modes in...ELEMENT NO. . ACCESSION NO. 11. TITLE (Include Security Classification) Persistent Infrared Spectral Hole-Burning for Impurity Vibrational Modes in...710er editions are obsolete C86 0 /6 70 * s.’~ - * -* ’~~ .VQ- . z Chapter 6. PERSISTENT INFRARED SPECTRAL HOLE-BURNING FOR IMPURITY VIBRATIONAL MODES IN

  12. Vibrational Modes and the Dynamic Solvent Effect in Electron and Proton Transfer

    DTIC Science & Technology

    1992-05-18

    Vibrational Modes and the Dynamic Solvent Effect in Electron and Proton Transfer Paul F. Barbara, Gilbert C. Walker and Terrance P. Smith Science, 256, 975...Copies of the form are available from cognizant grant of contract administrator 92-13720i|i|Hfl|fl MARTICLES Vibrational Modes and the Dynamic Solvent...photosynthetic systems. (X + AGO)’ The kinetic impact of high-frequency In order to set the stage for a discussion A = (1) vibrational modes in electron

  13. High Resolution Measurements of Impurity-Induced Localized Vibrational Modes in Semiconductors.

    DTIC Science & Technology

    1984-03-26

    Induced Localized Vibrational Modes in Semiconductors by William G. Spitzer Electronic Sciences Laboratory University of Southern California under Grant...neighbors (isotopic change) on the frequency of localized vibrational modes induced by impurities in a crystalline lattice. The earlier observations of...CA 90089-0241 (Received ~~1k~h~i ’~i ABSTRACT The infrared absorption due to excitation of localized vibrational modes (LVM) involving Si impurities

  14. A novel vibration mode testing method for cylindrical resonators based on microphones.

    PubMed

    Zhang, Yongmeng; Wu, Yulie; Wu, Xuezhong; Xi, Xiang; Wang, Jianqiu

    2015-01-16

    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.

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

    NASA Astrophysics Data System (ADS)

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

    2012-05-01

    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-FeIV = O species.

  16. Elastic moduli and vibrational modes in jammed particulate packings.

    PubMed

    Mizuno, Hideyuki; Saitoh, Kuniyasu; Silbert, Leonardo E

    2016-06-01

    When we elastically impose a homogeneous, affine deformation on amorphous solids, they also undergo an inhomogeneous, nonaffine deformation, which can have a crucial impact on the overall elastic response. To correctly understand the elastic modulus M, it is therefore necessary to take into account not only the affine modulus M_{A}, but also the nonaffine modulus M_{N} that arises from the nonaffine deformation. In the present work, we study the bulk (M=K) and shear (M=G) moduli in static jammed particulate packings over a range of packing fractions φ. The affine M_{A} is determined essentially by the static structural arrangement of particles, whereas the nonaffine M_{N} is related to the vibrational eigenmodes. We elucidate the contribution of each vibrational mode to the nonaffine M_{N} through a modal decomposition of the displacement and force fields. In the vicinity of the (un)jamming transition φ_{c}, the vibrational density of states g(ω) shows a plateau in the intermediate-frequency regime above a characteristic frequency ω^{*}. We illustrate that this unusual feature apparent in g(ω) is reflected in the behavior of M_{N}: As φ→φ_{c}, where ω^{*}→0, those modes for ω<ω^{*} contribute less and less, while contributions from those for ω>ω^{*} approach a constant value which results in M_{N} to approach a critical value M_{Nc}, as M_{N}-M_{Nc}∼ω^{*}. At φ_{c} itself, the bulk modulus attains a finite value K_{c}=K_{Ac}-K_{Nc}>0, such that K_{Nc} has a value that remains below K_{Ac}. In contrast, for the critical shear modulus G_{c}, G_{Nc} and G_{Ac} approach the same value so that the total value becomes exactly zero, G_{c}=G_{Ac}-G_{Nc}=0. We explore what features of the configurational and vibrational properties cause such a distinction between K and G, allowing us to validate analytical expressions for their critical values.

  17. Rotational branch analysis of the excitation of the fundamental vibrational modes of CO2 by slow electron collisions

    NASA Technical Reports Server (NTRS)

    Antoni, TH.; Jung, K.; Ehrhardt, H.; Chang, E. S.

    1986-01-01

    At 2 eV, the simultaneous rotational-vibrational cross sections for the fundamental modes are found to be well described by the Born formula with just long-range interactions. However, this result is not obtained for pure vibrational excitation (Q branch) in the Raman-active Fermi diads. At 3.8 eV, the infrared-active v2 and v3 cross sections agree with a previous theory incorporating resonant and direct scattering coherently. Measurements on the Raman-active v1 mode indicate that theories need to account for the Fermi resonance.

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

    NASA Astrophysics Data System (ADS)

    Card, A.; Mokim, M.; Ganikhanov, F.

    2016-02-01

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

  19. Active Blade Vibration Control Being Developed and Tested

    NASA Technical Reports Server (NTRS)

    Johnson, Dexter

    2003-01-01

    Gas turbine engines are currently being designed to have increased performance, lower weight and manufacturing costs, and higher reliability. Consequently, turbomachinery components, such as turbine and compressor blades, have designs that are susceptible to new vibration problems and eventual in-service failure due to high-cycle fatigue. To address this problem, researchers at the NASA Glenn Research Center are developing and testing innovative active blade vibration control concepts. Preliminary results of using an active blade vibration control system, involving a rotor supported by an active magnetic bearing in Glenn's Dynamic Spin Rig, indicate promising results (see the photograph). Active blade vibration control was achieved using feedback of blade strain gauge signals within the magnetic bearing control loop. The vibration amplitude was reduced substantially (see the graphs). Also, vibration amplitude amplification was demonstrated; this could be used to enhance structural mode identification, if desired. These results were for a nonrotating two-bladed disk. Tests for rotating blades are planned. Current and future active blade vibration control research is planned to use a fully magnetically suspended rotor and smart materials. For the fully magnetically suspended rotor work, three magnetic bearings (two radial and one axial) will be used as actuators instead of one magnetic bearing. This will allow additional degrees of freedom to be used for control. For the smart materials work, control effectors located on and off the blade will be considered. Piezoelectric materials will be considered for on-the-blade actuation, and actuator placement on a stator vane, or other nearby structure, will be investigated for off-the-blade actuation. Initial work will focus on determining the feasibility of these methods by performing basic analysis and simple experiments involving feedback control.

  20. Vibrational modes of aminothiophenol: a TERS and DFT study.

    PubMed

    Merlen, A; Chaigneau, M; Coussan, S

    2015-07-15

    We report Tip Enhanced Raman Spectroscopy (TERS) mapping and Density Functional (DFT) calculations of aminothiophenol (ATP) grafted on a gold surface. The TERS mapping has demonstrated Raman modes of (ATP) and its dimerised derivative Dimercaptoazobenzene (DMAB). This feature confirms that the plasmon activated chemical reaction of ATP has occurred during TERS measurements. In some specific part of the samples some unidentified Raman modes are observed. We suggest that they could come from intermediate species formed during the conversion of ATP into DMAB. These modes are compared with calculated Raman spectra of some possible intermediate species. These results confirm the high potentiality of TERS measurements for nanochemistry.

  1. Active Inertial Vibration Isolators And Dampers

    NASA Technical Reports Server (NTRS)

    Laughlin, Darren; Blackburn, John; Smith, Dennis

    1994-01-01

    Report describes development of active inertial vibration isolators and dampers in which actuators electromagnet coils moving linearly within permanent magnetic fields in housings, somewhat as though massive, low-frequency voice coils in loudspeakers. Discusses principle of operation, electrical and mechanical considerations in design of actuators, characteristics of accelerometers, and frequency responses of control systems. Describes design and performance of one- and three-degree-of-freedom vibration-suppressing system based on concept.

  2. Resonance-Enhanced Raman Scattering of Ring-Involved Vibrational Modes in the (1)B(2u) Absorption Band of Benzene, Including the Kekule Vibrational Modes ν(9) and ν(10).

    PubMed

    Willitsford, Adam H; Chadwick, C Todd; Kurtz, Stewart; Philbrick, C Russell; Hallen, Hans

    2016-02-04

    Resonance Raman spectroscopy provides much stronger Raman signal levels than its off-resonant counterpart and adds selectivity by excitation tuning. Raman preresonance of benzene has been well studied. On-resonance studies, especially at phonon-allowed absorptions, have received less attention. In this case, we observe resonance of many of the vibration modes associated motion of the carbons in the ring while tuning over the (1)B2u absorption, including the related ν9 (CC stretch Herzberg notation, ν14 Wilson notation) and ν10 (CH-parallel bend Herzberg notation, ν15 Wilson notation) vibrational modes along with the ν2 (CC-stretch or ring-breathing Herzberg notation, ν1 Wilson notation) mode and multiples of the ν18 (CCC-parallel bend Herzberg notation, ν6 Wilson notation) vibrational mode. The ring-breathing mode is found to mix with the b2u modes creating higher frequency composites. Through the use of an optical parametric oscillator (OPO) to tune through the (1)B2u absorption band of liquid benzene, a stiffening (increase in energy) of the vibrational modes is observed as the excitation wavelength nears the (1)B2u absorption peak of the isolated molecule (vapor) phase. The strongest resonance amplitude observed is in the 2 × ν18 (e2g) mode, with nearly twice the intensity of the ring-breathing mode, ν2. Several overtones and combination modes, especially with ν2 (a1g), are also observed to resonate. Raman resonances on phonon-allowed excitations are narrow and permit the measurement of vibrations not Raman-active in the ground state.

  3. Active Piezoelectric Vibration Control of Subscale Composite Fan Blades

    NASA Technical Reports Server (NTRS)

    Duffy, Kirsten P.; Choi, Benjamin B.; Provenza, Andrew J.; Min, James B.; Kray, Nicholas

    2012-01-01

    As part of the Fundamental Aeronautics program, researchers at NASA Glenn Research Center (GRC) are investigating new technologies supporting the development of lighter, quieter, and more efficient fans for turbomachinery applications. High performance fan blades designed to achieve such goals will be subjected to higher levels of aerodynamic excitations which could lead to more serious and complex vibration problems. Piezoelectric materials have been proposed as a means of decreasing engine blade vibration either through a passive damping scheme, or as part of an active vibration control system. For polymer matrix fiber composite blades, the piezoelectric elements could be embedded within the blade material, protecting the brittle piezoceramic material from the airflow and from debris. To investigate this idea, spin testing was performed on two General Electric Aviation (GE) subscale composite fan blades in the NASA GRC Dynamic Spin Rig Facility. The first bending mode (1B) was targeted for vibration control. Because these subscale blades are very thin, the piezoelectric material was surface-mounted on the blades. Three thin piezoelectric patches were applied to each blade two actuator patches and one small sensor patch. These flexible macro-fiber-composite patches were placed in a location of high resonant strain for the 1B mode. The blades were tested up to 5000 rpm, with patches used as sensors, as excitation for the blade, and as part of open- and closed-loop vibration control. Results show that with a single actuator patch, active vibration control causes the damping ratio to increase from a baseline of 0.3% critical damping to about 1.0% damping at 0 RPM. As the rotor speed approaches 5000 RPM, the actively controlled blade damping ratio decreases to about 0.5% damping. This occurs primarily because of centrifugal blade stiffening, and can be observed by the decrease in the generalized electromechanical coupling with rotor speed.

  4. Active vibration isolation through a Stewart platform with piezoelectric actuators

    NASA Astrophysics Data System (ADS)

    Wang, Chaoxin; Xie, Xiling; Chen, Yanhao; Zhang, Zhiyi

    2016-09-01

    A Stewart platform with piezoelectric actuators is presented for micro-vibration isolation. The Jacobian matrix of the Stewart platform, which reveals the relationship between the position/pointing of the payload and the extensions of the struts, is derived by the kinematic analysis and modified according to measured FRFs(frequency response function). The dynamic model of the Stewart platform is established by the FRF synthesis method to accommodate flexible modes of the platform. In active isolation, the LMS-based adaptive method is adopted and combined with the Jacobian matrix to suppress pure vibrations of the payload. Numerical simulations and experiments were conducted to prove vibration isolation performance of the Stewart platform subjected to periodical disturbances, and the results have demonstrated that considerable attenuations can be achieved.

  5. Autoparametric vibration absorber effect to reduce the first symmetric mode vibration of a curved beam/panel

    NASA Astrophysics Data System (ADS)

    Hui, C. K.; Ng, C. F.

    2011-08-01

    This paper presents the implementation of autoparametric phenomena to reduce the symmetrical vibration of a curved beam/panel under external harmonic excitation. The internal energy transfer of a first symmetric mode into first anti-symmetric mode in a curved panel is one example of autoparametric vibration absorber effect. This is similar to the vibration energy transfer from the resonance of a primary structure to the resonance of a secondary spring-mass (tuned mass damper). The nonlinear response of a curved beam is analyzed using an equation with two modes, and a shaker test. The effect of different configurations of the curve beam/panel, including damping ratios and excitation levels, on the energy transfer of the first symmetric mode to the first anti-symmetric mode was studied. The conventional tuned mass damper (TMD) can reduce the resonance response by energy transfer using damping dissipation, whereas an autoparametric vibration absorber (AVA) can reduce the resonance response by energy transfer using parametric interaction. The results indicate that there is a non-absorption region in which vibration is amplified. For the AVA, the non-absorption region can be minimized by tuning the resonance frequency of the first anti-symmetric mode to half of the first symmetric mode resonance frequency using additional mass. No additional damping material is required for achieving sufficient vibration reduction. The AVA can maintain reliable performance in hot and corrosive environments where damping material cannot perform effectively. This paper presents the first successful experimental results of an autoparametric vibration absorption mechanism in a curved beam.

  6. Active vibration control using DEAP actuators

    NASA Astrophysics Data System (ADS)

    Sarban, Rahimullah; Jones, Richard W.

    2010-04-01

    Dielectric electro-active polymer (DEAP) is a new type of smart material, which has the potential to be used to provide effective actuation for a wide range of applications. The properties of DEAP material place it somewhere between those of piezoceramics and shape memory alloys. Of the range of DEAP-based actuators that have been developed those having a cylindrical configuration are among the most promising. This contribution introduces the use of a tubular type DEAP actuator for active vibration control purposes. Initially the DEAP-based tubular actuator to be used in this study, produced by Danfoss PolyPower A/S, is introduced along with the static and dynamic characteristics. Secondly an electromechanical model of the tubular actuator is briefly reviewed and its ability to model the actuator's hysteresis characteristics for a range of periodic input signals at different frequencies demonstrated. The model will be used to provide hysteresis compensation in future vibration isolation studies. Experimental active vibration control using the actuator is then examined, specifically active vibration isolation of a 250 g mass subject to shaker generated 'ground vibration'. An adaptive feedforward control strategy is used to achieve this. The ability of the tubular actuator to reject both tonal and broadband random vibratory disturbances is then demonstrated.

  7. Characterizing Anharmonic Vibrational Modes of Quinones with Two-Dimensional Infrared Spectroscopy.

    PubMed

    Cyran, Jenée D; Nite, Jacob M; Krummel, Amber T

    2015-07-23

    Two-dimensional infrared (2D IR) spectroscopy was used to study the vibrational modes of three quinones--benzoquinone, naphthoquinone, and anthraquinone. The vibrations of interest were in the spectral range of 1560-1710 cm(-1), corresponding to the in-plane carbonyl and ring stretching vibrations. Coupling between the vibrational modes is indicated by the cross peaks in the 2D IR spectra. The diagonal and off-diagonal anharmonicities range from 4.6 to 17.4 cm(-1) for the quinone series. In addition, there is significant vibrational coupling between the in-plane carbonyl and ring stretching vibrations. The diagonal anharmonicity, off-diagonal anharmonicity, and vibrational coupling constants are reported for benzoquinone, naphthoquinone, and anthraquinone.

  8. Coupled mode parametric resonance in a vibrating screen model

    NASA Astrophysics Data System (ADS)

    Slepyan, Leonid I.; Slepyan, Victor I.

    2014-02-01

    We consider a simple dynamic model of the vibrating screen operating in the parametric resonance (PR) mode. This model was used in the course of designing and setting of such a screen in LPMC. The PR-based screen compares favorably with conventional types of such machines, where the transverse oscillations are excited directly. It is characterized by larger values of the amplitude and by insensitivity to damping in a rather wide range. The model represents an initially strained system of two equal masses connected by a linearly elastic string. Self-equilibrated, longitudinal, harmonic forces act on the masses. Under certain conditions this results in transverse, finite-amplitude oscillations of the string. The problem is reduced to a system of two ordinary differential equations coupled by the geometric nonlinearity. Damping in both the transverse and longitudinal oscillations is taken into account. Free and forced oscillations of this mass-string system are examined analytically and numerically. The energy exchange between the longitudinal and transverse modes of free oscillations is demonstrated. An exact analytical solution is found for the forced oscillations, where the coupling plays the role of a stabilizer. In a more general case, the harmonic analysis is used with neglect of the higher harmonics. Explicit expressions for all parameters of the steady nonlinear oscillations are determined. The domains are found where the analytically obtained steady oscillation regimes are stable. Over the frequency ranges, where the steady oscillations exist, a perfect correspondence is found between the amplitudes obtained analytically and numerically. Illustrations based on the analytical and numerical simulations are presented.

  9. Optimization of new magnetorheological fluid mount for vibration control of start/stop engine mode

    NASA Astrophysics Data System (ADS)

    Chung, Jye Ung; Phu, Do Xuan; Choi, Seung-Bok

    2015-04-01

    The technologies related to saving energy/or green vehicles are actively researched. In this tendency, the problem for reducing exhausted gas is in development with various ways. Those efforts are directly related to the operation of engine which emits exhausted gas. The auto start/stop of vehicle engine when a vehicle stop at road is currently as a main stream of vehicle industry resulting in reducing exhausted gas. However, this technology automatically turns on and off engine frequently. This motion induces vehicle engine to transmit vibration of engine which has large displacement, and torsional impact to chassis. These vibrations causing uncomfortable feeling to passengers are transmitted through the steering wheel and the gear knob. In this work, in order to resolve this vibration issue, a new proposed magnetorheological (MR) fluid based engine mount (MR mount in short) is presented. The proposed MR mount is designed to satisfy large damping force in various frequency ranges. It is shown that the proposed mount can have large damping force and large force ratio which is enough to control unwanted vibrations of engine start/stop mode.

  10. Comparative estimation of vibrational entropy changes in proteins through normal modes analysis.

    PubMed

    Carrington, Benjamin J; Mancera, Ricardo L

    2004-10-01

    We compare the vibrational entropy changes of proteins calculated using a full and a number of approximate normal modes analysis methods. The vibrational entropy differences for three conformational changes and three protein binding interactions were computed. In general, the approximate methods yield good estimates of the vibrational entropy change in a fraction of the time required by full normal modes analysis. The absolute entropies are either overestimated or greatly underestimated, but the difference is sufficiently accurate for some methods. This indicates that some of the approximate methods can give reasonable estimates of the associated vibrational entropy changes, making them suitable for inclusion in free energy calculations.

  11. Localized vibrational modes in thallium-filled skuterudites

    NASA Astrophysics Data System (ADS)

    Petculescu, Gabriela; Keppens, Veerle; Taylor, Andrew; Sales, Brian; Mandrus, David

    2003-03-01

    Elastic constant measurements using Resonant Ultrasound Spectroscopy have been performed on Tl_xCo_ 4Sb_12-ySny skutterudites as a function of temperature and Tl filling ratio, x (y = 0 or 1, for small and large values of x, respectively). In addition to being promising thermoelectric materials (ZT = 0.8 at T = 800 K) [1], these Tl-filled compounds provide a ``clean'' system to investigate the mechanism involved in the lattice thermal conductivity drop. The behavior of the elastic constants at low temperatures depends directly on the rattling atoms' (e.g.: Tl) local vibrational modes which could be associated with an Einstein oscillator or a two-level system. This was previously illustrated for the lanthanum-filled skutterudite La_0.75 Fe_3CoSb_12 [2]. In the present study, we examine the influence of the rattler filling ratio on the dominant mechanism of excitation. The results will be discussed and compared with findings in related skutterudite and clathrate compounds. [Work supported by the National Science Foundation and the Office of Naval Research.] [1] B. C. Sales et al., Phys. Rev. B 61, 2475-2481 (2000). [2] V. Keppens et al., Nature 395, 876-878 (1998).

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

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

    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.

  13. Mode-specific energy absorption by solvent molecules during CO2 vibrational cooling.

    PubMed

    Kandratsenka, Alexander; Schroeder, Jörg; Schwarzer, Dirk; Vikhrenko, Vyacheslav S

    2007-04-14

    Non-equilibrium molecular dynamics (NEMD) simulations of energy transfer from vibrationally excited CO(2) to CCl(4) and CH(2)Cl(2) solvent molecules are performed to identify the efficiency of different energy pathways into the solvent bath. Studying in detail the work performed by the vibrationally excited solute on the different solvent degrees of freedom, it is shown that vibration-to-vibration (V-V) processes are strongly dominant and controlled by those accepting modes which are close in frequency to the CO(2) bend and symmetric stretch vibration.

  14. Localization and anharmonicity of the vibrational modes for GC Watson-Crick and Hoogsteen base pairs.

    PubMed

    Bende, Attila; Bogdan, Diana; Muntean, Cristina M; Morari, Cristian

    2011-12-01

    We present an ab initio study of the vibrational properties of cytosine and guanine in the Watson-Crick and Hoogsteen base pair configurations. The results are obtained by using two different implementations of the DFT method. We assign the vibrational frequencies to cytosine or to guanine using the vibrational density of states. Next, we investigate the importance of anharmonic corrections for the vibrational modes. In particular, the unusual anharmonic effect of the H(+) vibration in the case of the Hoogsteen base pair configuration is discussed.

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

    NASA Astrophysics Data System (ADS)

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

    2008-03-01

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

  16. Surveillance and diagnostics of the beam mode vibrations of the Ringhals PWRs

    SciTech Connect

    Martin, C. M.; Pazsit, I.; Nylen, H.

    2012-07-01

    Surveillance of core barrel vibrations has been performed in the Swedish Ringhals PWRs for several years. This surveillance is focused mainly on the pendular motion of the core barrel, which is known as the beam mode. The monitoring of the beam mode has suggested that its amplitude increases along the cycle and decreases after refuelling. In the last 5 years several measurements have been taken in order to understand this behaviour. Besides, a non-linear fitting procedure has been implemented in order to better distinguish the different components of vibration. By using this fitting procedure, two modes of vibration have been identified in the frequency range of the beam mode. Several results coming from the trend analysis performed during these years indicate that one of the modes is due to the core barrel motion itself and the other is due to the individual flow induced vibrations of the fuel elements. In this work, the latest results of this monitoring are presented. (authors)

  17. VSCF calculations for the intra- and intermolecular vibrational modes of the water dimer and its isotopologs

    NASA Astrophysics Data System (ADS)

    Monteiro, João G. S.; Barbosa, André G. H.

    2016-11-01

    In this work we show how the VSCF method may be successfully used to describe all fundamental vibrational transitions of several isotopologs of water dimer. By expressing the normal mode displacements in terms of appropriate delocalized internal coordinates we are able to minimize the mode-mode coupling in the PES and thus yield PT2-VSCF frequencies in good agreement with the experiment. The use of curvilinear normal modes is of paramount importance to describe vibrational transitions of the very soft intermolecular modes. Within our approach the maximum calculated error for the (H2O)2 intermolecular frequencies are reduced from 311 cm-1 (Cartesian normal modes) to just 56 cm-1 (curvilinear normal modes). Plots of the diagonal intermolecular potential and of the vibrational wave function illustrate the remarkable effect of different coordinate systems. In conclusion, our PT2-VSCF calculations provide a fair anharmonic description of the fundamental transitions of water dimers.

  18. Ultrafast redistribution of vibrational energy after excitation of NH stretching modes in DNA oligomers

    NASA Astrophysics Data System (ADS)

    Kozich, V.; Szyc, Ł.; Nibbering, E. T. J.; Werncke, W.; Elsaesser, T.

    2009-04-01

    Vibrational relaxation after spectrally selective excitation within the NH stretching band of adenine-thymine base pairs in DNA oligomers was studied by subpicosecond infrared-pump/anti-Stokes Raman-probe spectroscopy. The decay of the different NH stretching vibrations populates distinct accepting modes in the NH bending range with a rise time of 0.6 ps that is close to the NH stretching decay times. The population of thymine fingerprint modes after excitation of the adenine antisymmetric NH 2 stretching mode points to an ultrafast excitation transfer to the thymine NH stretching vibration before relaxation. The nonequilibrium fingerprint populations decay on a time scale of several picoseconds.

  19. Quantifying Ant Activity Using Vibration Measurements

    PubMed Central

    Oberst, Sebastian; Baro, Enrique Nava; Lai, Joseph C. S.; Evans, Theodore A.

    2014-01-01

    Ant behaviour is of great interest due to their sociality. Ant behaviour is typically observed visually, however there are many circumstances where visual observation is not possible. It may be possible to assess ant behaviour using vibration signals produced by their physical movement. We demonstrate through a series of bioassays with different stimuli that the level of activity of meat ants (Iridomyrmex purpureus) can be quantified using vibrations, corresponding to observations with video. We found that ants exposed to physical shaking produced the highest average vibration amplitudes followed by ants with stones to drag, then ants with neighbours, illuminated ants and ants in darkness. In addition, we devised a novel method based on wavelet decomposition to separate the vibration signal owing to the initial ant behaviour from the substrate response, which will allow signals recorded from different substrates to be compared directly. Our results indicate the potential to use vibration signals to classify some ant behaviours in situations where visual observation could be difficult. PMID:24658467

  20. Quantifying ant activity using vibration measurements.

    PubMed

    Oberst, Sebastian; Baro, Enrique Nava; Lai, Joseph C S; Evans, Theodore A

    2014-01-01

    Ant behaviour is of great interest due to their sociality. Ant behaviour is typically observed visually, however there are many circumstances where visual observation is not possible. It may be possible to assess ant behaviour using vibration signals produced by their physical movement. We demonstrate through a series of bioassays with different stimuli that the level of activity of meat ants (Iridomyrmex purpureus) can be quantified using vibrations, corresponding to observations with video. We found that ants exposed to physical shaking produced the highest average vibration amplitudes followed by ants with stones to drag, then ants with neighbours, illuminated ants and ants in darkness. In addition, we devised a novel method based on wavelet decomposition to separate the vibration signal owing to the initial ant behaviour from the substrate response, which will allow signals recorded from different substrates to be compared directly. Our results indicate the potential to use vibration signals to classify some ant behaviours in situations where visual observation could be difficult.

  1. Optimal active vibration absorber: Design and experimental results

    NASA Technical Reports Server (NTRS)

    Lee-Glauser, Gina; Juang, Jer-Nan; Sulla, Jeffrey L.

    1992-01-01

    An optimal active vibration absorber can provide guaranteed closed-loop stability and control for large flexible space structures with collocated sensors/actuators. The active vibration absorber is a second-order dynamic system which is designed to suppress any unwanted structural vibration. This can be designed with minimum knowledge of the controlled system. Two methods for optimizing the active vibration absorber parameters are illustrated: minimum resonant amplitude and frequency matched active controllers. The Controls-Structures Interaction Phase-1 Evolutionary Model at NASA LaRC is used to demonstrate the effectiveness of the active vibration absorber for vibration suppression. Performance is compared numerically and experimentally using acceleration feedback.

  2. Key hydride vibrational modes in [NiFe] hydrogenase model compounds studied by resonance Raman spectroscopy and density functional calculations.

    PubMed

    Shafaat, Hannah S; Weber, Katharina; Petrenko, Taras; Neese, Frank; Lubitz, Wolfgang

    2012-11-05

    Hydrogenase proteins catalyze the reversible conversion of molecular hydrogen to protons and electrons. While many enzymatic states of the [NiFe] hydrogenase have been studied extensively, there are multiple catalytically relevant EPR-silent states that remain poorly characterized. Analysis of model compounds using new spectroscopic techniques can provide a framework for the study of these elusive states within the protein. We obtained optical absorption and resonance Raman (RR) spectra of (dppe)Ni(μ-pdt)Fe(CO)(3) and [(dppe)Ni(μ-pdt)(μ-H)Fe(CO)(3)][BF(4)], which are structural and functional model compounds for the EPR-silent Ni-SI and Ni-R states of the [NiFe] hydrogenase active site. The studies presented here use RR spectroscopy to probe vibrational modes of the active site, including metal-hydride stretching vibrations along with bridging ligand-metal and Fe-CO bending vibrations, with isotopic substitution used to identify key metal-hydride modes. The metal-hydride vibrations are essentially uncoupled and represent isolated, localized stretching modes; the iron-hydride vibration occurs at 1530 cm(-1), while the nickel-hydride vibration is observed at 945 cm(-1). The significant discrepancy between the metal-hydride vibrational frequencies reflects the slight asymmetry in the metal-hydride bond lengths. Additionally, time-dependent density functional theory (TD-DFT) calculations were carried out to obtain theoretical RR spectra of these compounds. On the basis of the detailed comparison of theory and experiment, the dominant electronic transitions and significant normal modes probed in the RR experiments were assigned; the primary transitions in the visible wavelengths represent metal-to-metal and metal-to-ligand charge transfer bands. Inherent properties of metal-hydride vibrational modes in resonance Raman spectra and DFT calculations are discussed together with the prospects of observing such vibrational modes in metal-hydride-containing proteins. Such a

  3. Active vibration control in Duffing mechanical systems using dynamic vibration absorbers

    NASA Astrophysics Data System (ADS)

    Beltrán-Carbajal, F.; Silva-Navarro, G.

    2014-07-01

    This paper deals with the multi-frequency harmonic vibration suppression problem in forced Duffing mechanical systems using passive and active linear mass-spring-damper dynamic vibration absorbers. An active vibration absorption scheme is proposed to extend the vibrating energy dissipation capability of a passive dynamic vibration absorber for multiple excitation frequencies and, simultaneously, to perform reference position trajectory tracking tasks planned for the nonlinear primary system. A differential flatness-based disturbance estimation scheme is also described to estimate the unknown multiple time-varying frequency disturbance signal affecting the differentially flat nonlinear vibrating mechanical system dynamics. Some numerical simulation results are provided to show the efficient performance of the proposed active vibration absorption scheme and the fast estimation of the vibration disturbance signal.

  4. Active vibration control of civil structures

    SciTech Connect

    Farrar, C.; Baker, W.; Fales, J.; Shevitz, D.

    1996-11-01

    This is a final report of a one year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Active vibration control (AVC) of structural and mechanical systems is one of the rapidly advancing areas of engineering research. The multifaceted nature of AVC covers many disciplines, such as sensors and instrumentation, numerical modeling, experimental mechanics, and advanced power systems. This work encompassed a review of the literature on active control of structures focusing both on active control hardware and on control algorithms, a design of an isolation systems using magneto-rheological fluid-filled (MRF) dampers and numerical simulations to study the enhanced vibration mitigation effects of this technology.

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

    PubMed

    Huang, Yihua; Huang, Wei

    2010-12-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2010-05-01

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

  7. Mode-specific photoelectron scattering effects on CO2+(C 2Σg+) vibrations

    NASA Astrophysics Data System (ADS)

    Rathbone, G. J.; Poliakoff, E. D.; Bozek, John D.; Lucchese, R. R.; Lin, P.

    2004-01-01

    Using high-resolution photoelectron spectroscopy, we have determined the energy dependent vibrational branching ratios for the symmetric stretch [v+=(100)], bend [v+=(010)], and antisymmetric stretch [v+=(001)], as well as several overtones and combination bands in the 4σg-1 photoionization of CO2. Data were acquired over the range from 20-110 eV, and this wide spectral coverage highlighted that alternative vibrational modes exhibit contrasting behavior, even over a range usually considered to be dominated by atomic effects. Alternative vibrational modes exhibit qualitatively distinct energy dependences, and this contrasting mode-specific behavior underscores the point that vibrationally resolved measurements reflect the sensitivity of the electron scattering dynamics to well-defined changes in molecular geometry. In particular, such energy-dependent studies help to elucidate the mechanism(s) responsible for populating the symmetry forbidden vibrational levels [i.e., v+=(010), (001), (030), and (110)]. This is the first study in which vibrationally resolved data have been acquired as a function of energy for all of the vibrational modes of a polyatomic system. Theoretical Schwinger variational calculations are used to interpret the experimental data, and they indicate that a 4σg→kσu shape resonance is responsible for most of the excursions observed for the vibrational branching ratios. Generally, the energy dependent trends are reproduced well by theory, but a notable exception is the symmetric stretch vibrational branching ratio. The calculated results display a strong peak in the vibrational branching ratio while the experimental data show a pronounced minimum. This suggests an interference mechanism that is not accounted for in the single-channel adiabatic-nuclei calculations. Electronic branching ratios were also measured and compared to the vibrational branching ratios to assess the relative contributions of interchannel (i.e., Herzberg-Teller) versus

  8. The geometry and frequency content of planetary gear single-mode vibration

    NASA Astrophysics Data System (ADS)

    Cooley, Christopher G.; Parker, Robert G.

    2013-10-01

    The geometry and frequency content of single-mode vibrations of spur planetary gears are investigated in the rotating carrier-fixed and the stationary reference frames. Planetary gears with equally spaced or diametrically opposed planets have exactly three mode types, called planet, rotational, and translational modes. The properties of these vibration modes lead to response with well-defined geometry. The frequency content of the motion differs between the rotating carrier-fixed and stationary bases. The results from this work assist the analysis of experimental planetary gear measurements.

  9. Voltage tuning of vibrational mode energies in single-molecule junctions

    PubMed Central

    Li, Yajing; Doak, Peter; Kronik, Leeor; Neaton, Jeffrey B.; Natelson, Douglas

    2014-01-01

    Vibrational modes of molecules are fundamental properties determined by intramolecular bonding, atomic masses, and molecular geometry, and often serve as important channels for dissipation in nanoscale processes. Although single-molecule junctions have been used to manipulate electronic structure and related functional properties of molecules, electrical control of vibrational mode energies has remained elusive. Here we use simultaneous transport and surface-enhanced Raman spectroscopy measurements to demonstrate large, reversible, voltage-driven shifts of vibrational mode energies of C60 molecules in gold junctions. C60 mode energies are found to vary approximately quadratically with bias, but in a manner inconsistent with a simple vibrational Stark effect. Our theoretical model instead suggests that the mode shifts are a signature of bias-driven addition of electronic charge to the molecule. These results imply that voltage-controlled tuning of vibrational modes is a general phenomenon at metal–molecule interfaces and is a means of achieving significant shifts in vibrational energies relative to a pure Stark effect. PMID:24474749

  10. Vibration control of cylindrical shells using active constrained layer damping

    NASA Astrophysics Data System (ADS)

    Ray, Manas C.; Chen, Tung-Huei; Baz, Amr M.

    1997-05-01

    The fundamentals of controlling the structural vibration of cylindrical shells treated with active constrained layer damping (ACLD) treatments are presented. The effectiveness of the ACLD treatments in enhancing the damping characteristics of thin cylindrical shells is demonstrated theoretically and experimentally. A finite element model (FEM) is developed to describe the dynamic interaction between the shells and the ACLD treatments. The FEM is used to predict the natural frequencies and the modal loss factors of shells which are partially treated with patches of the ACLD treatments. The predictions of the FEM are validated experimentally using stainless steel cylinders which are 20.32 cm in diameter, 30.4 cm in length and 0.05 cm in thickness. The cylinders are treated with ACLD patches of different configurations in order to target single or multi-modes of lobar vibrations. The ACLD patches used are made of DYAD 606 visco-elastic layer which is sandwiched between two layers of PVDF piezo-electric films. Vibration attenuations of 85% are obtained with maximum control voltage of 40 volts. Such attenuations are attributed to the effectiveness of the ACLD treatment in increasing the modal damping ratios by about a factor of four over those of conventional passive constrained layer damping (PCLD) treatments. The obtained results suggest the potential of the ACLD treatments in controlling the vibration of cylindrical shells which constitute the major building block of many critical structures such as cabins of aircrafts, hulls of submarines and bodies of rockets and missiles.

  11. Fuzzy fast terminal sliding mode vibration control of a two-connected flexible plate using laser sensors

    NASA Astrophysics Data System (ADS)

    Qiu, Zhi-cheng; Zhang, Si-ma

    2016-10-01

    A kind of non-contact vibration measurement method for a two-connected flexible piezoelectric plate using laser sensors is proposed. Decoupling of the bending and torsional vibration on measurement and driving control is carried out via using two laser displacement sensors and piezoelectric actuators. The fuzzy fast terminal sliding mode controller (FFTSMC) is investigated to suppress both the larger and the smaller amplitude vibrations quickly. In order to alleviate the chattering phenomenon and enhance the control effect, the fuzzy logic adaptive algorithm is used to adjust the switching control gain for softening the signum function adaptively. To verify the non-contact measurement method and the designed controller, the experimental setup is built up. Experiments on active vibration control using the designed FFTSMC are conducted, compared with the classical proportional derivative (PD) control algorithm. The experimental identification results demonstrate that the laser displacement sensors can detect the low-frequency bending and torsional vibration effectively, after using the decoupling method. Furthermore, the designed FFTSMC can suppress both bending and torsional vibration more quickly than the designed PD controller owing to the adjustment of the switching control gains and the softening factors, especially for the small amplitude residual vibrations.

  12. Entangled-state engineering of vibrational modes in a multimembrane optomechanical system

    NASA Astrophysics Data System (ADS)

    Xu, Xun-Wei; Zhao, Yan-Jun; Liu, Yu-xi

    2013-08-01

    We propose an efficient method to generate entangled states of vibrational modes of membranes which are coupled to a single-mode cavity field via the radiation pressure. By using sideband excitations, we show that arbitrary entangled states of vibrational modes in different membranes can be produced in principle by sequentially applying a series of classical pulses with desired frequencies, phases, and durations. As examples, we show how to synthesize several typical entangled states, such as Bell states, NOON states, Greenberger-Horne-Zeilinger states, and W states. The environmental effect, information leakage, and experimental feasibility are briefly discussed. Our proposal can be applied to different setups of optomechanical systems, in which vibrating modes of many mechanical resonators are coupled to a single-mode cavity.

  13. Broadband radiation modes: estimation and active control.

    PubMed

    Berkhoff, Arthur P

    2002-03-01

    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. Because these particular radiation modes are optimum in a broadband sense, they are termed broadband radiation modes. Methods are given to obtain these modes from measured data. The broadband radiation modes are used for the design of an actuator array in a feedback control system to reduce the sound power radiated from a plate. Three methods for the design of the actuator are compared, taking into account the reduction of radiated sound power in the controlled frequency range, but also the possible increase of radiated sound power in the uncontrolled frequency range.

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

    SciTech Connect

    Liu, Rumeng; Wang, Lifeng

    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.

  15. 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

    NASA Technical Reports Server (NTRS)

    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.

  16. Anharmonic vibrational modes of nucleic acid bases revealed by 2D IR spectroscopy.

    PubMed

    Peng, Chunte Sam; Jones, Kevin C; Tokmakoff, Andrei

    2011-10-05

    Polarization-dependent two-dimensional infrared (2D IR) spectra of the purine and pyrimadine base vibrations of five nucleotide monophosphates (NMPs) were acquired in D(2)O at neutral pH in the frequency range 1500-1700 cm(-1). The distinctive cross-peaks between the ring deformations and carbonyl stretches of NMPs indicate that these vibrational modes are highly coupled, in contrast with the traditional peak assignment, which is based on a simple local mode picture such as C═O, C═N, and C═C double bond stretches. A model of multiple anharmonically coupled oscillators was employed to characterize the transition energies, vibrational anharmonicities and couplings, and transition dipole strengths and orientations. No simple or intuitive structural correlations are found to readily assign the spectral features, except in the case of guanine and cytosine, which contain a single local CO stretching mode. To help interpret the nature of these vibrational modes, we performed density functional theory (DFT) calculations and found that multiple ring vibrations are coupled and delocalized over the purine and pyrimidine rings. Generally, there is close correspondence between the experimental and computational results, provided that the DFT calculations include explicit waters solvating hydrogen-bonding sites. These results provide direct experimental evidence of the delocalized nature of the nucleotide base vibrations via a nonperturbative fashion and will serve as building blocks for constructing a structure-based model of DNA and RNA vibrational spectroscopy.

  17. Visualization of Vibrational Modes in Real Space by Tip-Enhanced Non-Resonant Raman Spectroscopy.

    PubMed

    Duan, Sai; Tian, Guangjun; Luo, Yi

    2016-01-18

    We present a general theory to model the spatially resolved non-resonant Raman images of molecules. It is predicted that the vibrational motions of different Raman modes can be fully visualized in real space by tip-enhanced non-resonant Raman scattering. As an example, the non-resonant Raman images of water clusters were simulated by combining the new theory and first-principles calculations. Each individual normal mode gives rise its own distinct Raman image, which resembles the expected vibrational motions of the atoms very well. The characteristics of intermolecular vibrations in supermolecules could also be identified. The effects of the spatial distribution of the plasmon as well as nonlinear scattering processes were also addressed. Our study not only suggests a feasible approach to spatially visualize vibrational modes, but also provides new insights in the field of nonlinear plasmonic spectroscopy.

  18. Energy transfer efficiency in the chromophore network strongly coupled to a vibrational mode

    NASA Astrophysics Data System (ADS)

    Mourokh, Lev G.; Nori, Franco

    2015-11-01

    Using methods from condensed matter and statistical physics, we examine the transport of excitons through the photosynthetic complex from a receiving antenna to a reaction center. Writing the equations of motion for the exciton creation-annihilation operators, we are able to describe the exciton dynamics, even in the regime when the reorganization energy is of the order of the intrasystem couplings. We determine the exciton transfer efficiency in the presence of a quenching field and protein environment. While the majority of the protein vibrational modes are treated as a heat bath, we address the situation when specific modes are strongly coupled to excitons and examine the effects of these modes on the energy transfer efficiency in the steady-state regime. Using the structural parameters of the Fenna-Matthews-Olson complex, we find that, for vibrational frequencies below 16 meV, the exciton transfer is drastically suppressed. We attribute this effect to the formation of a "mixed exciton-vibrational mode" where the exciton is transferred back and forth between the two pigments with the absorption or emission of vibrational quanta, instead of proceeding to the reaction center. The same effect suppresses the quantum beating at the vibrational frequency of 25 meV. We also show that the efficiency of the energy transfer can be enhanced when the vibrational mode strongly couples to the third pigment only, instead of coupling to the entire system.

  19. Reorganization of intramolecular high frequency vibrational modes and dynamic solvent effect in electron transfer reactions.

    PubMed

    Yudanov, Vladislav V; Mikhailova, Valentina A; Ivanov, Anatoly I

    2012-04-26

    The possibility of the multichannel stochastic model to adequately describe all principal regularities observed in thermal electron transfer kinetics has been demonstrated. The most important are as follows: (i) the model predicts the solvent controlled regime in the Marcus normal region and its almost full suppression in the Marcus inverted region as well as a continuous transition between them in the vicinity of the activationless region; (ii) the suppression of dynamic solvent effect (DSE) is principally caused by the reorganization of high frequency vibrational modes; (iii) an additional factor of the DSE suppression stems from fast solvent relaxation component; (iv) in the inverted region, the multichannel stochastic model predicts the apparent activation energy to be much less than that calculated with Marcus equation. The exploration of the multichannel stochastic model has allowed one to conclude that the reorganization of high frequency vibrational modes can (i) raise the maximum rate constant above the solvent controlled limit by 2 and more orders of magnitude, (ii) shift the rate constant maximum to larger values of the free energy gap, and (iii) approach the electron transfer kinetics to the nonadiabatic regime.

  20. Smart actuators for active vibration control

    NASA Astrophysics Data System (ADS)

    Pourboghrat, Farzad; Daneshdoost, Morteza

    1998-07-01

    In this paper, the design and implementation of smart actuators for active vibration control of mechanical systems are considered. A smart actuator is composed of one or several layers of piezo-electric materials which work both as sensors and actuators. Such a system also includes micro- electronic or power electronic amplifiers, depending on the power requirements and applications, as well as digital signal processing systems for digital control implementation. In addition, PWM type micro/power amplifiers are used for control implementation. Such amplifiers utilize electronic switching components that allow for miniaturization, thermal efficiency, cost reduction, and precision controls that are robust to disturbances and modeling errors. An adaptive control strategy is then developed for vibration damping and motion control of cantilever beams using the proposed smart self-sensing actuators.

  1. Vibrational Raman optical activity of ketose monosaccharides

    NASA Astrophysics Data System (ADS)

    Bell, Alasdair F.; Hecht, Lutz; Barron, Laurence D.

    1995-07-01

    The vibrational Raman optical activity (ROA) spectra of the four ketose sugars D-fructose, L-sorbose, D-tagatose and D-psicose in aqueous solution, which have been measured in backscattering in the range ≈250-1500 cm -1, are reported. These results are combined with those from a previous ROA study of aldose and pentose sugars in an attempt to establish new vibrational assignments and to verify old ones. The high information content of these spectra provides a new perspective on all the central features of monosaccharide stereochemistry including dominant anomeric configuration, ring conformation, exocyclic CH 2OH group conformation and relative disposition of the hydroxyl groups around the ring.

  2. Active Suppression Of Vibrations On Elastic Beams

    NASA Technical Reports Server (NTRS)

    Silcox, Richard J.; Fuller, Chris R.; Gibbs, Gary P.

    1993-01-01

    Pairs of colocated piezoelectric transducers, independently controlled by multichannel adaptive controller, employed as actuators and sensors to achieve simultaneous attenuation of both extensional and flexural motion. Single pair used to provide simultaneous control of flexural and extensional waves, or two pairs used to control torsional motion also. Capability due to nature of piezoelectric transducers, when bonded to surfaces of structures and activated by oscillating voltages, generate corresponding oscillating distributions of stresses in structures. Phases and amplitudes of actuator voltages adjusted by controller to impede flow of vibrational energy simultaneously, in waves of various forms, beyond locations of actuators. Concept applies equally to harmonic or random response of structure and to multiple responses of structure to transverse bending, torsion, and compression within structural element. System has potential for many situations in which predominant vibration transmission path through framelike structure.

  3. Efficient anharmonic vibrational spectroscopy for large molecules using local-mode coordinates.

    PubMed

    Cheng, Xiaolu; Steele, Ryan P

    2014-09-14

    This article presents a general computational approach for efficient simulations of anharmonic vibrational spectra in chemical systems. An automated local-mode vibrational approach is presented, which borrows techniques from localized molecular orbitals in electronic structure theory. This approach generates spatially localized vibrational modes, in contrast to the delocalization exhibited by canonical normal modes. The method is rigorously tested across a series of chemical systems, ranging from small molecules to large water clusters and a protonated dipeptide. It is interfaced with exact, grid-based approaches, as well as vibrational self-consistent field methods. Most significantly, this new set of reference coordinates exhibits a well-behaved spatial decay of mode couplings, which allows for a systematic, a priori truncation of mode couplings and increased computational efficiency. Convergence can typically be reached by including modes within only about 4 Å. The local nature of this truncation suggests particular promise for the ab initio simulation of anharmonic vibrational motion in large systems, where connection to experimental spectra is currently most challenging.

  4. Efficient anharmonic vibrational spectroscopy for large molecules using local-mode coordinates

    NASA Astrophysics Data System (ADS)

    Cheng, Xiaolu; Steele, Ryan P.

    2014-09-01

    This article presents a general computational approach for efficient simulations of anharmonic vibrational spectra in chemical systems. An automated local-mode vibrational approach is presented, which borrows techniques from localized molecular orbitals in electronic structure theory. This approach generates spatially localized vibrational modes, in contrast to the delocalization exhibited by canonical normal modes. The method is rigorously tested across a series of chemical systems, ranging from small molecules to large water clusters and a protonated dipeptide. It is interfaced with exact, grid-based approaches, as well as vibrational self-consistent field methods. Most significantly, this new set of reference coordinates exhibits a well-behaved spatial decay of mode couplings, which allows for a systematic, a priori truncation of mode couplings and increased computational efficiency. Convergence can typically be reached by including modes within only about 4 Å. The local nature of this truncation suggests particular promise for the ab initio simulation of anharmonic vibrational motion in large systems, where connection to experimental spectra is currently most challenging.

  5. Accounting for intra-molecular vibrational modes in open quantum system description of molecular systems.

    PubMed

    Roden, Jan; Strunz, Walter T; Whaley, K Birgitta; Eisfeld, Alexander

    2012-11-28

    Electronic-vibrational dynamics in molecular systems that interact with an environment involve a large number of degrees of freedom and are therefore often described by means of open quantum system approaches. A popular approach is to include only the electronic degrees of freedom into the system part and to couple these to a non-Markovian bath of harmonic vibrational modes that is characterized by a spectral density. Since this bath represents both intra-molecular and external vibrations, it is important to understand how to construct a spectral density that accounts for intra-molecular vibrational modes that couple further to other modes. Here, we address this problem by explicitly incorporating an intra-molecular vibrational mode together with the electronic degrees of freedom into the system part and using the Fano theory for a resonance coupled to a continuum to derive an "effective" bath spectral density, which describes the contribution of intra-molecular modes. We compare this effective model for the intra-molecular mode with the method of pseudomodes, a widely used approach in simulation of non-Markovian dynamics. We clarify the difference between these two approaches and demonstrate that the respective resulting dynamics and optical spectra can be very different.

  6. Efficient anharmonic vibrational spectroscopy for large molecules using local-mode coordinates

    SciTech Connect

    Cheng, Xiaolu; Steele, Ryan P.

    2014-09-14

    This article presents a general computational approach for efficient simulations of anharmonic vibrational spectra in chemical systems. An automated local-mode vibrational approach is presented, which borrows techniques from localized molecular orbitals in electronic structure theory. This approach generates spatially localized vibrational modes, in contrast to the delocalization exhibited by canonical normal modes. The method is rigorously tested across a series of chemical systems, ranging from small molecules to large water clusters and a protonated dipeptide. It is interfaced with exact, grid-based approaches, as well as vibrational self-consistent field methods. Most significantly, this new set of reference coordinates exhibits a well-behaved spatial decay of mode couplings, which allows for a systematic, a priori truncation of mode couplings and increased computational efficiency. Convergence can typically be reached by including modes within only about 4 Å. The local nature of this truncation suggests particular promise for the ab initio simulation of anharmonic vibrational motion in large systems, where connection to experimental spectra is currently most challenging.

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

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

    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.

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

    PubMed

    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.

  9. Coupling of Vibrational Modes of Adsorbates: Application to Field Induced Shifts for CO and CN on Cu(100).

    DTIC Science & Technology

    1987-11-01

    lengths and vibrational frequencies for both chemisorbed CO and CN as a Stark effect. Chemical changes are shown to be small. Keywords: Chemisorption, Vibrational modes , Potential energy surface, Electrochemistry.

  10. Defect-Induced Vibration Modes of Ar+ -Irradiated MoS2

    NASA Astrophysics Data System (ADS)

    Bae, Soungmin; Sugiyama, Natsuki; Matsuo, Takatoshi; Raebiger, Hannes; Shudo, Ken-ichi; Ohno, Koichi

    2017-02-01

    The Ar+ -irradiated molybdenum-disulfide (MoS2 ) surface is studied by means of Raman spectroscopy and first-principles calculation. This experimental study reveals that Ar+ irradiation gives rise to satellite peaks at the lower-frequency side of the Raman-active E2g 1 and A1 g modes of MoS2 and a new peak at approximately 450 cm-1 . We calculate the phonon modes and Raman spectra of defective MoS2 systems from first principles, and show that Mo and S vacancies give rise to such satellite peaks. These satellite peaks are a modulation of the E2g 1 and A1 g modes, described in terms of localization and scattering of vibration modes. The new peak at 450 cm-1 , however, is a unique signature of the S vacancy. At low irradiation doses, the S vacancy is the dominant defect, whereas for large irradiation doses, the satellite peaks overshadow the MoS2 peaks, which we show to be typical for the Mo vacancy and MoS6 vacancy cluster. We thus show that Raman spectroscopy can be used not only to observe defects in two-dimensional materials, but also to identify the type of the defects.

  11. Torsional vibrational modes of tryptophan studied by terahertz time-domain spectroscopy.

    PubMed

    Yu, B; Zeng, F; Yang, Y; Xing, Q; Chechin, A; Xin, X; Zeylikovich, I; Alfano, R R

    2004-03-01

    The low-frequency torsional modes, index of refraction, and absorption of a tryptophan film and pressed powders from 0.2 to 2.0 THz (6.6-66 cm(-1)) were measured by terahertz time-domain spectroscopy at room temperature. It was found that there were two dominated torsional vibrational modes at around 1.435 and 1.842 THz. The associated relaxation lifetimes ( approximately 1 ps) for these modes of the tryptophan molecule were measured. Using a density-functional calculation, the origins of the observed torsional vibrations were assigned to the chain and ring of the tryptophan molecule.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    ERIC Educational Resources Information Center

    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…

  14. Dynamic characteristics of two new vibration modes of the disk-shell shaped gear

    NASA Astrophysics Data System (ADS)

    Yan, Litang; Qiu, Shijung; Gao, Xiangqung

    1992-10-01

    Two new vibration modes of the disk-shell-shaped big medium gears placed on three separate medium shafts of a turboprop engine have been found. They have the same nodal diameters as the conventional ones, but their frequencies are higher. The tooth ring vibrates both radially and axially and has greater deflection than the gear hub. The resonance of these two new nodal diameter modes is much more dangerous than that of the conventional nodal diameter modes. Moreover, they occur nearly at the upper and the lower bounds of the gear operating speed range. A special detuning method is developed for removing the resonance of these two new modes out of the upper and the lower bounds, respectively, and the effectiveness of the damping rings in this case has been researched. The vibration responses measured on the reductor casing have been then reduced to a quite low level after the damping rings were applied to the three big medium gears.

  15. Dynamic B-mode ultrasound imaging of vocal fold vibration during phonation.

    PubMed

    Tsai, Chen-Gia; Chen, Jeng-Horng; Shau, Yio-Wha; Hsiao, Tzu-Yu

    2009-11-01

    We used B-mode imaging to study the vibratory phenomena of the vocal folds. The presence of multilayered structures of the vocal folds in the B-mode image was verified by using freshly excised human larynges in vitro. To capture images of vocal fold vibration, a special treatment was used to reconstruct the aliasing B-mode motion pictures of vocal fold vibration. Echo-particle image velocimetry (Echo-PIV) analysis was then applied to trace the tissue particles in the motion pictures. The vibratory behavior of the body (vocal ligament and muscle) of the vocal folds was revealed. Further analysis showed a quasi-longitudinal wave along the body of the vocal folds in the coronal plane. This is, to the best of our knowledge, the first time that vocal fold vibration physiology has been studied using B-mode imaging and Echo-PIV.

  16. Individual and collective vibrational modes of nanostructures studied by picosecond ultrasonics.

    PubMed

    Bienville, T; Robillard, J F; Belliard, L; Roch-Jeune, I; Devos, A; Perrin, B

    2006-12-22

    We report on picosecond ultrasonic measurements obtained on aluminum and platinum nanostructures with variable dot size and lateral periodicity which realized a 2D phononic crystal. Performing investigations at different resolution scales, we have identified individual modes of vibration depending on the dot size, and mode of vibration strongly correlated with the bi-dimensional organization. The platinum dots sputtered on an aluminum layer have shown a behavior of isolated oscillators without any coupling between neighbor elements in this phononic crystal. The frequency of such normal modes, extracted from time resolved measurements are in good agreement with 3D finite element simulations. In contrast, with aluminum dot systems where the coupling is more efficient we observe a complex spectrum of vibrational modes related to the band structure induced by the bi-dimensional patterning.

  17. Sparse reconstruction of blade tip-timing signals for multi-mode blade vibration monitoring

    NASA Astrophysics Data System (ADS)

    Lin, Jun; Hu, Zheng; Chen, Zhong-Sheng; Yang, Yong-Min; Xu, Hai-Long

    2016-12-01

    Severe blade vibrations may reduce the useful life of the high-speed blade. Nowadays, non-contact measurement using blade tip-timing (BTT) technology is becoming promising in blade vibration monitoring. However, blade tip-timing signals are typically under-sampled. How to extract characteristic features of unknown multi-mode blade vibrations by analyzing these under-sampled signals becomes a big challenge. In this paper, a novel BTT analysis method for reconstructing unknown multi-mode blade vibration signals is proposed. The method consists of two key steps. First, a sparse representation (SR) mathematical model for sparse blade tip-timing signals is built. Second, a multi-mode blade vibration reconstruction algorithm is proposed to solve this SR problem. Experiments are carried out to validate the feasibility of the proposed method. The main advantage of this method is its ability to reconstruct unknown multi-mode blade vibration signals with high accuracy. The minimal requirements of probe number are also presented to provide guidelines for BTT system design.

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

    SciTech Connect

    Nguyen Ba An; Truong Minh Duc

    2002-12-01

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

  19. On the benefits of localized modes in anharmonic vibrational calculations for small molecules

    NASA Astrophysics Data System (ADS)

    Panek, Paweł T.; Jacob, Christoph R.

    2016-04-01

    Anharmonic vibrational calculations can already be computationally demanding for relatively small molecules. The main bottlenecks lie in the construction of the potential energy surface and in the size of the excitation space in the vibrational configuration interaction (VCI) calculations. To address these challenges, we use localized-mode coordinates to construct potential energy surfaces and perform vibrational self-consistent field and L-VCI calculations [P. T. Panek and C. R. Jacob, ChemPhysChem 15, 3365 (2014)] for all vibrational modes of two prototypical test cases, the ethene and furan molecules. We find that the mutual coupling between modes is reduced when switching from normal-mode coordinates to localized-mode coordinates. When using such localized-mode coordinates, we observe a faster convergence of the n-mode expansion of the potential energy surface. This makes it possible to neglect higher-order contributions in the n-mode expansion of the potential energy surface or to approximate higher-order contributions in hybrid potential energy surfaces, which reduced the computational effort for the construction of the anharmonic potential energy surface significantly. Moreover, we find that when using localized-mode coordinates, the convergence with respect to the VCI excitation space proceeds more smoothly and that the error at low orders is reduced significantly. This makes it possible to devise low-cost models for obtaining a first approximation of anharmonic corrections. This demonstrates that the use of localized-mode coordinates can be beneficial already in anharmonic vibrational calculations of small molecules and provides a possible avenue for enabling such accurate calculations also for larger molecules.

  20. Intermolecular vibrational modes and orientational dynamics of cooperative hydrogen-bonding dimer of 7-azaindole in solution.

    PubMed

    Kato, Tatsuya; Shirota, Hideaki

    2011-04-28

    We observed the low-frequency Raman-active intermolecular vibrational modes of 7-azaindole in CCl(4) by femtosecond Raman-induced Kerr effect spectroscopy. To understand the dynamical aspects and vibrational modes of 7-azaindole in the solution, the ultrafast dynamics of 1-benzofuran in CCl(4) was also examined as a reference and ab initio quantum chemistry calculations were performed for 7-azaindole and 1-benzofuran. The cooperative hydrogen-bonding vibrational bands of 7-azaindole dimer in CCl(4) appeared at 89 cm(-1) and 105 cm(-1) represent the overlap of stagger and wheeling modes and the intermolecular stretching mode, respectively. They are almost independent of the concentration in the solution. We further found from the low-frequency differential Kerr spectra of the solutions with neat CCl(4) that the intermolecular motion in the low frequency region below 20 cm(-1) was less active in the case of 7-azaindole/CCl(4) than in the case of 1-benzofuran/CCl(4). The slow orientational relaxation time in 7-azaindole/CCl(4) is ~3.5 times that in 1-benzofuran/CCl(4) because of the nature of the dimerization of 7-azaindole.

  1. On the nonlinear normal modes of free vibration of piecewise linear systems

    NASA Astrophysics Data System (ADS)

    Uspensky, B. V.; Avramov, K. V.

    2014-07-01

    A modification of the Shaw-Pierre nonlinear normal modes is suggested in order to analyze the vibrations of a piecewise linear mechanical systems with finite degrees of freedom. The use of this approach allows one to reduce to twice the dimension of the nonlinear algebraic equations system for nonlinear normal modes calculations in comparison with systems obtained by previous researchers. Two degrees of freedom and fifteen degrees of freedom nonlinear dynamical systems are investigated numerically by using nonlinear normal modes.

  2. Lifetimes of Hydrogen and Deuterium Related Vibrational Modes in Silicon

    SciTech Connect

    Budde, M.; Luepke, G.; Chen, E; Zhang, X.; Tolk, N. H.; Feldman, L. C.; Tarhan, E.; Ramdas, A. K.; Stavola, M.

    2001-10-01

    Lifetimes of hydrogen and deuterium related stretch modes in Si are measured by high-resolution infrared absorption spectroscopy and transient bleaching spectroscopy. The lifetimes are found to be extremely dependent on the defect structure, ranging from 2 to 295 ps. Against conventional wisdom, we find that lifetimes of Si-D modes typically are longer than for the corresponding Si-H modes. The potential implications of the results on the physics of electronic device degradation are discussed.

  3. Actuator placement for active sound and vibration control of cylinders

    NASA Technical Reports Server (NTRS)

    Kincaid, Rex K.

    1995-01-01

    Active structural acoustic control is a method in which the control inputs (used to reduce interior noise) are applied directly to a vibrating structural acoustic system. The control concept modeled in this work is the application of in-plane force inputs to piezoceramic patches bonded to the wall of a vibrating cylinder. The cylinder is excited by an exterior noise source -- an acoustic monopole -- located near the outside of the cylinder wall. The goal is to determine the force inputs and sites for the piezoelectric actuators so that (1) the interior noise is effectively damped; (2) the level of vibration of the cylinder shell is not increased; and (3) the power requirements needed to drive the actuators are not excessive. We studied external monopole excitations at two frequencies. A cylinder resonance of 100 Hz, where the interior acoustic field is driven in multiple, off-resonance cylinder cavity modes, and a cylinder resonance of 200 Hz are characterized by both near and off-resonance cylinder vibration modes which couple effectively with a single, dominant, low-order acoustic cavity mode at resonance. Previous work has focused almost exclusively on meeting objective (1) and solving a complex least-squares problem to arrive at an optimal force vector for a given set of actuator sites. In addition, it has been noted that when the cavity mode couples with cylinder vibration modes (our 200 Hz case) control spillover may occur in higher order cylinder shell vibrational modes. How to determine the best set of actuator sites to meet objectives (1)-(3) is the main contribution of our research effort. The selection of the best set of actuator sites from a set of potential sites is done via two metaheuristics -- simulated annealing and tabu search. Each of these metaheuristics partitions the set of potential actuator sites into two disjoint sets: those that are selected to control the noise (on) and those that are not (off). Next, each metaheuristic attempts to

  4. Finite-Temperature Hydrogen Adsorption/Desorption Thermodynamics Driven by Soft Vibration Modes

    SciTech Connect

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

    2013-01-01

    It is widely accepted that room-temperature hydrogen storage on nanostructured or porous materials requires enhanced dihydrogen adsorption. In this work we reveal that room-temperature hydrogen storage is possible not only by the enhanced adsorption, but also by making use of the vibrational free energy from soft vibration modes. These modes exist for example in the case of metallo-porphyrin-incorporated graphenes (M-PIGs) with out-of-plane ( buckled ) metal centers. There, the in-plane potential surfaces are flat because of multiple-orbital-coupling between hydrogen molecules and the buckled-metal centers. This study investigates the finite-temperature adsorption/desorption thermodynamics of hydrogen molecules adsorbed on M-PIGs by employing first-principles total energy and vibrational spectrum calculations. Our results suggest that the current design strategy for room-temperature hydrogen storage materials should be modified by explicitly taking finite-temperature vibration thermodynamics into account.

  5. Low-frequency vibrational modes and infrared absorbance of red, blue and green opsin.

    PubMed

    Thirumuruganandham, Saravana Prakash; Urbassek, Herbert M

    2009-08-01

    Vibrational excitations of low-frequency collective modes are essential for functionally important conformational transitions in proteins. We carried out an analysis of the low-frequency modes in the G protein coupled receptors (GPCR) family of cone opsins based on both normal-mode analysis and molecular dynamics (MD) simulations. Power spectra obtained by MD can be compared directly with normal modes. In agreement with existing experimental evidence related to transmembrane proteins, cone opsins have functionally important transitions that correspond to approximately 950 modes and are found below 80 cm(-1). This is in contrast to bacteriorhodopsin and rhodopsin, where the important low-frequency transition modes are below 50 cm(-1). We find that the density of states (DOS) profile of blue opsin in a solvent (e.g. water) has increased populations in the very lowest frequency modes (<15 cm(-1)); this is indicative of the increased thermostability of blue opsin. From our work we found that, although light absorption behaves differently in blue, green and red opsins, their low-frequency vibrational motions are similar. The similarities and differences in the domain motions of blue, red and green opsins are discussed for several representative modes. In addition, the influence of the presence of a solvent is reported and compared with vacuum spectra. We thus demonstrate that terahertz spectroscopy of low-frequency modes might be relevant for identifying those vibrational degrees of freedom that correlate to known conformational changes in opsins.

  6. Active control of flexural vibrations in beams

    NASA Technical Reports Server (NTRS)

    Gerhold, Carl H.

    1987-01-01

    The feasibility of using piezoelectric actuators to control the flexural oscillations of large structures in space is investigated. Flexural oscillations are excited by impulsive loads. The vibratory response can degrade the pointing accuracy of cameras and antennae, and can cause high stresses at structural node points. Piezoelectric actuators have the advantage of exerting localized bending moments. In this way, vibration is controlled without exciting rigid body modes. The actuators are used in collocated sensor/driver pairs to form a feedback control system. The sensor produces a voltage that is proportional to the dynamic stress at the sensor location, and the driver produces a force that is proportional to the voltage applied to it. The analog control system amplifies and phase shifts the sensor signal to produce the voltage signal that is applied to the driver. The feedback control is demonstrated to increase the first mode damping in a cantilever beam by up to 100 percent, depending on the amplifier gain. The damping efficiency of the control system when the piezoelectrics are not optimally positioned at points of high stress in the beam is evaluated.

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

    PubMed

    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.

  8. Sound power radiation from a vibrating structure in terms of structure-dependent radiation modes

    NASA Astrophysics Data System (ADS)

    Ji, Lin; Bolton, J. Stuart

    2015-01-01

    As a good supplement of conventional acoustic radiation modes (a-modes), a set of so-called "structure-dependent radiation modes" (s-modes) is introduced to describe the sound power radiation from a vibrating structure. Differing from a-modes, s-modes are determined by not only the acoustic resistance matrix of the structure but also the frequency-independent normal modes of the structure. Such a new definition has the following main advantages over the conventional one: (1) it can reflect directly the influences of dynamic properties (e.g., boundary conditions) of the structures on its sound power radiation; (2) the number of s-modes generated is generally less than that of a-modes since the former depends on the number of structural modes involved in the vibration while the latter depends on the number of segmented elemental radiators of the structure, and consequently, the demand for large data storage can be greatly alleviated, especially for large structures and/or higher frequency vibrations; (3) the set of s-modes possesses a better convergence than that of a-modes because the higher ordered s-modes can decay more rapidly than the same ordered a-modes. Two baffled, finite, models, i.e., a simple beam and a thin plate, are employed to investigate numerically the acoustic properties of s-modes, and then compared with those of a-modes. It has been shown that the two sets of radiation modes share a very similar frequency-dependent behavior in that the radiation efficiency falls off very rapidly with increasing mode order at low frequency range (typically with kl<1). Meanwhile, the number of s-modes required to describe the total sound power radiation is found to be the same as that of a-modes. Consequently, an appropriate truncation of a-modes can be achieved by using the number of vibrational modes involved. Nevertheless, the odd-ordered (even-ordered) s-modes are found only associated with the odd-numbered (even-ordered) structural modes. In case of only few

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

    PubMed

    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

    2014-05-08

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  11. Statistical-mode sensor for fiber optic vibration sensing uses.

    PubMed

    Spillman, W B; Kline, B R; Maurice, L B; Fuhr, P L

    1989-08-01

    A method of sensing vibration using the detection of changes in the spatial distribution of energy in the output of a multimode optical fiber has been demonstrated. Two implementations of the sensor have been built and tested. The first implementation involved simple optical processing of the output fiber speckle pattern using spatial filtering. The second implementation involved projecting the pattern on a CCD array and digitally processing observed changes in the intensity distribution. A mathematical model has been developed which has shown good agreement with observed sensor behavior. The sensor technique has been used to detect induced structural vibration in laboratory test specimens. Simple field testing has also demonstrated the ability of the technique to detect personnel and vehicles passing over a buried and electrically undetectable sensing cable. The sensing technique is compatible with off-the-shelf components and fiber cable and even allows for simultaneous telecommunication and sensing using the same optical fiber cable. Near term application of this technology could provide significant benefits for vibration sensing, intrusion detection, and acoustic sensing.

  12. Bias-controlled selective excitation of vibrational modes in molecular junctions: a route towards mode-selective chemistry.

    PubMed

    Volkovich, Roie; Härtle, Rainer; Thoss, Michael; Peskin, Uri

    2011-08-28

    We show that individual vibrational modes in single-molecule junctions with asymmetric molecule-lead coupling can be selectively excited by applying an external bias voltage. Thereby, a non-statistical distribution of vibrational energy can be generated, that is, a mode with a higher frequency can be stronger excited than a mode with a lower frequency. This is of particular interest in the context of mode-selective chemistry, where one aims to break specific (not necessarily the weakest) chemical bond in a molecule. Such mode-selective vibrational excitation is demonstrated for two generic model systems representing asymmetric molecular junctions and/or scanning tunneling microscopy experiments. To this end, we employ two complementary theoretical approaches, a nonequilibrium Green's function approach and a master equation approach. The comparison of both methods reveals good agreement in describing resonant electron transport through a single-molecule contact, where differences between the approaches highlight the role of non-resonant transport processes, in particular co-tunneling and off-resonant electron-hole pair creation processes.

  13. Density response of a trapped Fermi gas: A crossover from the pair vibration mode to the Goldstone mode

    SciTech Connect

    Korolyuk, A.; Kinnunen, J. J.; Toermae, P.

    2011-09-15

    We consider the density response of a trapped two-component Fermi gas. Combining the Bogoliubov-deGennes method with the random phase approximation allows the study of both collective and single-particle excitations. Calculating the density response across a wide range of interactions, we observe a crossover from a weakly interacting pair vibration mode to a strongly interacting Goldstone mode. The crossover is associated with a depressed collective mode frequency and an increased damping rate, in agreement with density response experiments performed in strongly interacting atomic gases.

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

    PubMed

    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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-12-01

    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.

  16. High-order harmonic generation of CO2 with different vibrational modes in an intense laser field

    NASA Astrophysics Data System (ADS)

    Du, Hui; Zhang, Hong-Dan; Zhang, Jun; Liu, Hai-Feng; Pan, Xue-Fei; Guo, Jing; Liu, Xue-Shen

    2016-11-01

    We apply the strong-field Lewenstein model to demonstrate the high-order harmonic generation of CO2 with three vibrational modes (balance vibration, bending vibration, and stretching vibration) driven by an intense laser field. The results show that the intensity of harmonic spectra is sensitive to molecular vibrational modes, and the high harmonic efficiency with stretching vibrational mode is the strongest. The underlying physical mechanism of the harmonic emission can be well explained by the corresponding ionization yield and the time-frequency analysis. Finally, we demonstrate the attosecond pulse generation with different vibrational modes and an isolated attosecond pulse with a duration of about 112 as is generated. Project supported by the National Natural Science Foundation of China (Grant Nos. 61575077, 11271158, and 11574117).

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

    SciTech Connect

    Dhote, Sharvari Zu, Jean; Zhu, Yang

    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.

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

    PubMed

    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.

  19. Active vibration isolation platform on base of magnetorheological elastomers

    NASA Astrophysics Data System (ADS)

    Mikhailov, Valery P.; Bazinenkov, Alexey M.

    2017-06-01

    The article describes the active vibration isolation platform on base of magnetorheological (MR) elastomers. An active damper based on the MR elastomers can be used as an actuator of micro- or nanopositioning for a vibroinsulated object. The MR elastomers give such advantages for active control of vibration as large range of displacements (up to 1 mm), more efficient absorption of the vibration energy, possibility of active control of amplitude-frequency characteristics and positioning with millisecond response speed and nanometer running accuracy. The article presents the results of experimental studies of the most important active damper parameters. Those are starting current, transient time for stepping, transmission coefficient of the vibration displacement amplitude.

  20. New approach to Tolman's electronic parameter based on local vibrational modes.

    PubMed

    Kalescky, Robert; Kraka, Elfi; Cremer, Dieter

    2014-01-06

    Tolman's electronic parameter (TEP) derived from the A1-symmetrical CO stretching frequency of nickel-phosphine-tricarbonyl complexes, R3PNi(CO)3, is brought to a new, improved level by replacing normal with local vibrational frequencies. CO normal vibrational frequencies are always flawed by mode-mode coupling especially with metal-carbon stretching modes, which leads to coupling frequencies as large as 100 cm(-1) and can become even larger when the transition metal and the number of ligands is changed. Local TEP (LTEP) values, being based on local CO stretching force constants rather than normal mode frequencies, no longer suffer from mode coupling and mass effects. For 42 nickel complexes of the type LNi(CO)3, it is shown that LTEP values provide a different ordering of ligand electronic effects as previously suggested by TEP and CEP values. The general applicability of the LTEP concept is demonstrated.

  1. Electromechanical lever blocks for active vibration isolation

    NASA Astrophysics Data System (ADS)

    Zago, Lorenzo; Genequand, Pierre M.

    2000-04-01

    This paper is a follow-up of a presentation at the Smart Structures Symposium of 1998. There we described an innovative technical solution which provides a combined passive damping and isolation interface with the appropriate transmissibility characteristics between a vibrating base and a sensitive payload, typically an optical terminal/telescope. The particularity of the solution is primarily found in the implementation of energy dissipation by means linear electromagnetic linear motors leveraged by means of flexure elements, to constitute an integrated resistor-damped electromechanic lever block, which we called MEDI (Mechanical Elastic element for Damping and Isolation). Passive viscous damping with attenuation of the order of -20 dB at 50 Hz with respect to a hard fixation, is obtained by simply short- circuiting the electro-magnetic motor. The study and test program presented here extends the application of MEDIs to active vibration reduction systems. The study, contracted by the European Space Agency, aimed at investigating the possibility of using the MEDI as an active isolator for scientific experiments in the International Space Station. By controlling the current in the electromagnetic motor in closed loop with the signal from specially designed force sensor (with extremely low noise), we achieved attenuation of the order of -15 dB at 1 Hz, -30 dB at 10 Hz, -50 dB at 30 Hz, with the isolation slope starting as low as 0.1 Hz.

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

    NASA Astrophysics Data System (ADS)

    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.

  3. Damping Control of Liquid Container by Swing-type Active Vibration Reducer on Mobile Robot

    NASA Astrophysics Data System (ADS)

    Hamaguchi, Masafumi; Taniguchi, Takao

    This paper proposes a damping control of sloshing in a cylindrical container with a swing-type active vibration reducer on a wheeled mobile robot (WMR). The WMR runs along a straight path on a horizontal plane. The container is mounted on the active vibration reducer. A laser displacement sensor is used to observe the liquid level in the container. The container can be tilted in the running direction by the active vibration reducer. A sloshing model is obtained from a spherical pendulum-type sloshing model, which approximately expresses (1, 1)-mode sloshing. The sloshing model is used to design a damping control system. The control system of the active vibration reducer is designed with an inverse model of sloshing and an optimal regulator with a Kalman filter. The WMR is driven by an acceleration pattern designed with an input shaping method. The usefulness of the proposed method is demonstrated through simulation and experimental results.

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

    NASA Technical Reports Server (NTRS)

    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.

  5. CO2 laser photoacoustic spectra and vibrational modes of heroin, morphine and narcotine

    NASA Astrophysics Data System (ADS)

    Prasad, R. L.; Thakur, S. N.; Bhar, G. C.

    2002-09-01

    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 mum and 10.6 mum regions of CO_2 laser. It is very difficult to assign the modes of vibrations for PA bands by comparison with conventional low resolution IR spectra. The ab initio quantum chemical calculations were used for determining the molecular geometries and normal mode frequencies of vibrations of these molecules for assignments of PA spectra.

  6. Vibrational Spectrum of (CO)2 on Cu(100): Quantum Calculations with 18 Coupled Mode

    NASA Technical Reports Server (NTRS)

    Dzegilenko, Fedor; Bowman, Joel M.; Carter, Stuart; Saini, Subhash (Technical Monitor)

    1998-01-01

    We report calculations of the vibrational frequencies of CO dimer on Cu(100) using recently developed vibrational self-consistent field code. Eighteen modes are treated explicitly within three modes coupling representation. Nine symmetry distinct doublets are observed and the corresponding frequencies are computed. The thermally broadened spectrum of the CO-stretch fundamental is calculated at various temperatures. Both the temperature and coverage dependence of both the average CO-stretch frequency and the corresponding line-width are consistent with experimentally observed trends. The document contains no classified information International clearance is needed.

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

    PubMed

    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.

  8. Active vibration control using mechanical and electrical analogies

    NASA Astrophysics Data System (ADS)

    Torres-Perez, A.; Hassan, A.; Kaczmarczyk, S.; Picton, P.

    2016-05-01

    Mechanical-electrical analogous circuit models are widely used in electromechanical system design as they represent the function of a coupled electrical and mechanical system using an equivalent electrical system. This research uses electrical circuits to establish a discussion of simple active vibration control principles using two scenarios: an active vibration isolation system and an active dynamic vibration absorber (DVA) using a voice coil motor (VCM) actuator. Active control laws such as gain scheduling are intuitively explained using circuit analysis techniques. Active vibration control approaches are typically constraint by electrical power requirements. The electrical analogous is a fast approach for specifying power requirements on the experimental test platform which is based on a vibration shaker that provides the based excitation required for the single Degree- of-Freedom (1DoF) vibration model under study.

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

    PubMed

    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.

  10. Active structural vibration control: Robust to temperature variations

    NASA Astrophysics Data System (ADS)

    Gupta, Vivek; Sharma, Manu; Thakur, Nagesh

    2012-11-01

    d-form augmented piezoelectric constitutive equations which take into account temperature dependence of piezoelectric strain coefficient (d31) and permittivity (∈33), are converted into e-form. Using e-form constitutive equations, a finite element model of a smart two dimensional plate instrumented with piezoelectric patches is derived. Equations of motion are derived using Hamilton's variational principle. Coupled equations of motion are uncoupled using modal analysis. Modal state vectors are estimated using the Kalman observer. The first mode of smart cantilevered plate is actively controlled using negative first modal velocity feedback at various temperatures. Total control effort required to do so is calculated using the electro-mechanical impedance method. The temperature dependence of sensor voltage, control voltage, control effort and Kalman observer equations is shown analytically. Simulation results are presented using MATLAB. Variations in (i) peak sensor voltage, (ii) actual and estimated first modal velocities, (iii) peak control voltage, (iv) total control effort and (v) settling time with respect to temperature are presented. Active vibration control performance is not maintained at temperature away from reference temperature when the temperature dependence of piezoelectric stress coefficient ‘e31' and permittivity ‘∈33' is not included in piezoelectric constitutive equations. Active control of vibrations becomes robust to temperature variations when the temperature dependence of ‘e31' and ‘∈33' is included in piezoelectric constitutive equations.

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

    PubMed

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

    2015-09-01

    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). Vibrography allows the visualization of the radially symmetric profiles of the resonance modes. A dynamic finite-element analysis supports our observation.

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

    PubMed Central

    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). Vibrography allows the visualization of the radially symmetric profiles of the resonance modes. A dynamic finite-element analysis supports our observation. PMID:26417503

  13. Characteristics of 10 mm Multilayer L1-F2 Mode Vibrator and Application to a Linear Motor

    NASA Astrophysics Data System (ADS)

    Funakubo, Tomoki; Tomikawa, Yoshiro

    2003-05-01

    In the present paper we discuss a small-sized multilayer L1-F2 mode vibrator and its application to an ultrasonic linear motor. In an attempt to reduce both the size and the driving voltage of an L1-F2 mode vibrator, we constructed a multilayer L1-F2 mode vibrator whose inner electrodes are simply divided into two. Test results clarified that the multilayer L1-F2 mode vibrator exhibits two resonance modes; namely, a first longitudinal mode and a second flexural mode, and that an amplitude of vibration velocity is sufficiently large for application to a linear motor. Specific merits of our multilayer L1-F2 mode vibrator are that the driving voltage is low (5 Vrms), owing to multilayer construction, and that the vibrator is small (10 × 2.5 × 2 mm: W×H×D), owing to the simple construction of the inner electrodes. Additionally, the present study revealed that an ultrasonic linear motor using the multilayer L1-F2 mode vibrator exhibits superior performance in practical application.

  14. Active vibration control of thin-plate structures with partial SCLD treatment

    NASA Astrophysics Data System (ADS)

    Lu, Jun; Wang, Pan; Zhan, Zhenfei

    2017-02-01

    To effectively suppress the low-frequency vibration of a thin-plate, the strategy adopted is to develop a model-based approach to the investigation on the active vibration control of a clamped-clamped plate with partial SCLD treatment. Firstly, a finite element model is developed based on the constitutive equations of elastic, piezoelectric and viscoelastic materials. The characteristics of viscoelastic materials varying with temperature and frequency are described by GHM damping model. A low-dimensional real modal control model which can be used as the basis for active vibration control is then obtained from the combined reduction. The emphasis is placed on the feedback control system to attenuate the vibration of plates with SCLD treatments. A modal controller in conjunction with modal state estimator is designed to solve the problem of full state feedback, making it much more feasible to real-time control. Finally, the theoretical model is verified by modal test, and an active vibration control is validated by hardware-in-the-loop experiment under different external excitations. The numerical and experimental study demonstrate how the piezoelectric actuators actively control the lower modes (first bending and torsional modes) using modal controller, while the higher frequency vibration attenuated by viscoelastic passive damping layer.

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

    PubMed Central

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

    2015-01-01

    The soft character of organic materials leads to strong coupling between molecular, nuclear and electronic dynamics. This coupling opens the way to influence charge transport in organic electronic devices by exciting molecular vibrational motions. However, despite encouraging theoretical predictions, experimental realization of such approach has remained elusive. Here we demonstrate experimentally that photoconductivity in a model organic optoelectronic device can be modulated by the selective excitation of molecular vibrations. Using an ultrafast infrared laser source to create a coherent superposition of vibrational motions in a pentacene/C60 photoresistor, we observe that excitation of certain modes in the 1,500–1,700 cm−1 region leads to photocurrent enhancement. Excited vibrations affect predominantly trapped carriers. The effect depends on the nature of the vibration and its mode-specific character can be well described by the vibrational modulation of intermolecular electronic couplings. This presents a new tool for studying electron–phonon coupling and charge dynamics in (bio)molecular materials. PMID:26246039

  16. Vibrational modes of methane in the structure H clathrate hydrate from ab initio molecular dynamics simulation.

    PubMed

    Hiratsuka, Masaki; Ohmura, Ryo; Sum, Amadeu K; Yasuoka, Kenji

    2012-10-14

    Vibrational spectra of guest molecules in clathrate hydrates are frequently measured to determine the characteristic signatures of the molecular environment and dynamical properties of guest-host interactions. Here, we present results of our study on the vibrational frequencies of methane molecules in structure H clathrate hydrates, namely, in the 5(12) and 4(3)5(6)6(3) cages, as the frequencies of stretching vibrational modes in these environments are still unclear. The vibrational spectra of methane molecules in structure H clathrate hydrate were obtained from ab initio molecular dynamics simulation and computed from Fourier transform of autocorrelation functions for each distinct vibrational mode. The calculated symmetric and asymmetric stretching vibrational frequencies of methane molecules were found to be lower in the 4(3)5(6)6(3) cages than in the 5(12) cages (3.8 cm(-1) for symmetric stretching and 6.0 cm(-1) for asymmetric stretching). The C-H bond length and average distance between methane molecules and host-water molecules in 4(3)5(6)6(3) cages were slightly longer than those in the 5(12) cages.

  17. Geometric origin of excess low-frequency vibrational modes in weakly connected amorphous solids

    NASA Astrophysics Data System (ADS)

    Wyart, M.; Nagel, S. R.; Witten, T. A.

    2005-11-01

    Glasses have an excess number of low-frequency vibrational modes in comparison with most crystalline solids. We show that such a feature necessarily occurs in solids with low coordination. In particular, we analyze the density D(ω) of normal-mode frequencies ω and the nature of the low-frequency normal modes of a recently simulated system (O'Hern C., Silbert L. E., Liu A. J. and Nagel S. R., Phys. Rev. E, 68 (2003) 011306) comprised of weakly compressed spheres at zero temperature. We account for the observed a) convergence of D(ω) toward a non-zero constant as the frequency goes to zero, b) appearance of a low-frequency cutoff ω*, and c) power law increase of ω* with compression. We introduce a length scale l* which characterizes the vibrational modes that appear at ω*.

  18. Active Members Excite And Measure Vibrations In Trusses

    NASA Technical Reports Server (NTRS)

    Kuo, Chin-Po; Chen, Gun-Shing; Wada, Ben K.

    1993-01-01

    Report describes experimental study of use of active structural members to excite and measure vibrations as small as microns in truss structure. Part of continuing effort to develop active vibration-suppressing control system adapting itself to changing and/or partly unknown dynamical characteristics of truss structure in outer space. Some aspects of control concept and potential terrestrial applications described in "Two Techniques For Suppressing Vibrations In Structures" (NPO-17889).

  19. Optical emission and vibrational modes of uniform pentacene monolayers (*)

    NASA Astrophysics Data System (ADS)

    He, Rui; Tassi, Nancy; Blanchet, Graciela; Pinczuk, Aron

    2006-03-01

    Pentacene monolayers are probed by photoluminescence and resonant Raman spectroscopies below 10K. Monolayers grown on polymeric substrate of poly-alpha-methyl-styrene (PAMS) exhibit high uniformity within micron size clusters. These films show sharp exciton luminescence bands, and the energy of the exciton optical emission displays a red-shift as the average film thickness increases. The large resonance enhancements of Raman scattering intensities enable the measurements of low-lying (40- 200cm-1) optical lattice vibrations from these monolayers. These experiments demonstrate that luminescence and resonant Raman scattering from single pentacene monolayers are venues for probing 2D properties, studies of interface effects, and thin film characterization. (*) Supported primarily by the Nanoscale Science and Engineering Initiative of the National Science Foundation under NSF Award No. CHE-0117752 and by the New York State Office of Science, Technology, and Academic Research (NYSTAR), and by a research grant of the W. M. Keck Foundation.

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

    PubMed Central

    Gordiz, Kiarash; Henry, Asegun

    2016-01-01

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

  1. Piezoelectric Power Requirements for Active Vibration Control

    NASA Technical Reports Server (NTRS)

    Brennan, Matthew C.; McGowan, Anna-Maria Rivas

    1997-01-01

    This paper presents a method for predicting the power consumption of piezoelectric actuators utilized for active vibration control. Analytical developments and experimental tests show that the maximum power required to control a structure using surface-bonded piezoelectric actuators is independent of the dynamics between the piezoelectric actuator and the host structure. The results demonstrate that for a perfectly-controlled system, the power consumption is a function of the quantity and type of piezoelectric actuators and the voltage and frequency of the control law output signal. Furthermore, as control effectiveness decreases, the power consumption of the piezoelectric actuators decreases. In addition, experimental results revealed a non-linear behavior in the material properties of piezoelectric actuators. The material non- linearity displayed a significant increase in capacitance with an increase in excitation voltage. Tests show that if the non-linearity of the capacitance was accounted for, a conservative estimate of the power can easily be determined.

  2. Active balance system and vibration balanced machine

    NASA Technical Reports Server (NTRS)

    Qiu, Songgang (Inventor); Augenblick, John E. (Inventor); Peterson, Allen A. (Inventor); White, Maurice A. (Inventor)

    2005-01-01

    An active balance system is provided for counterbalancing vibrations of an axially reciprocating machine. The balance system includes a support member, a flexure assembly, a counterbalance mass, and a linear motor or an actuator. The support member is configured for attachment to the machine. The flexure assembly includes at least one flat spring having connections along a central portion and an outer peripheral portion. One of the central portion and the outer peripheral portion is fixedly mounted to the support member. The counterbalance mass is fixedly carried by the flexure assembly along another of the central portion and the outer peripheral portion. The linear motor has one of a stator and a mover fixedly mounted to the support member and another of the stator and the mover fixedly mounted to the counterbalance mass. The linear motor is operative to axially reciprocate the counterbalance mass.

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

    NASA Astrophysics Data System (ADS)

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

    2015-06-01

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

  4. Raman investigation of ro-vibrational modes of interstitial H2 in Si

    NASA Astrophysics Data System (ADS)

    Koch, S. G.; Lavrov, E. V.; Weber, J.

    2012-08-01

    A Raman scattering study of ro-vibrational transitions Q(J) of the interstitial H2 in Si is presented. It is shown that the Q(2) mode of para hydrogen is coupled to the TAX phonon of Si. The mode appears in the spectra at temperatures above 200 K. The results presented also suggest that the Q(3) transition of ortho hydrogen is resonantly coupled to the OΓ phonon.

  5. Same phase drive-type ultrasonic motors using two degenerate bending vibration modes of a disk.

    PubMed

    Takano, T; Tomikawa, Y; Kusakabe, C

    1992-01-01

    Same-phase drive-type ultrasonic motors, using two degenerate bending vibration modes of a disk, are presented. The distinctive feature of the motor is in using the standing wave modes. The motor is not driven by two input signals with different phases, but by input signals with the same phase. Therefore, only one amplifier is sufficient to drive the motor. The experimental results have proved that the motor can yield stable operational characteristics at low speed and high torque.

  6. Time-Resolved Studies of the Acoustic Vibrational Modes of Metal and Semiconductor Nano-objects.

    PubMed

    Major, Todd A; Lo, Shun Shang; Yu, Kuai; Hartland, Gregory V

    2014-03-06

    Over the past decade, there have been a number of transient absorption studies of the acoustic vibrational modes of metal and semiconductor nanoparticles. This Perspective provides an overview of this work. The way that the frequencies of the observed modes depend on the size and shape of the particles is described, along with their damping. Future research directions are also discussed, especially how these measurements provide information about the way nano-objects interact with their environment.

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

    PubMed

    Neves, R F C; Jones, D B; Lopes, M C A; Nixon, K L; de Oliveira, E M; da Costa, R F; Varella, M T do N; Bettega, M H F; Lima, M A P; da Silva, G B; Brunger, M J

    2015-05-21

    We report differential cross section results from an experimental investigation into the electron impact excitation of a number of the low-lying composite (unresolved) vibrational modes in phenol (C6H5OH). The measurements were carried out at incident electron energies in the range 15-40 eV and for scattered-electron angles in the range 10-90°. The energy resolution of those measurements was typically ∼80 meV. Calculations, using the GAMESS code, were also undertaken with a B3LYP/aug-cc-pVDZ level model chemistry, in order to enable us to assign vibrational modes to the features observed in our energy loss spectra. To the best of our knowledge, the present cross sections are the first to be reported for vibrational excitation of the C6H5OH molecule by electron impact.

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

    NASA Astrophysics Data System (ADS)

    Hahn, Seungsoo

    2016-10-01

    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.

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

    PubMed

    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.

  10. Instantaneous normal mode analysis of the vibrational relaxation of the amide I mode of alanine dipeptide in water.

    PubMed

    Farag, Marwa H; Zúñiga, José; Requena, Alberto; Bastida, Adolfo

    2013-05-28

    Nonequilibrium Molecular Dynamics (MD) simulations coupled to instantaneous normal modes (INMs) analysis are used to study the vibrational relaxation of the acetyl and amino-end amide I modes of the alanine dipeptide (AlaD) molecule dissolved in water (D2O). The INMs are assigned in terms of the equilibrium normal modes using the Effective Atomic Min-Cost algorithm as adapted to make use of the outputs of standard MD packages, a method which is well suited for the description of flexible molecules. The relaxation energy curves of both amide I modes show multiexponential decays, in good agreement with the experimental findings. It is found that ~85%-90% of the energy relaxes through intramolecular vibrational redistribution. The main relaxation pathways are also identified. The rate at which energy is transferred into the solvent is similar for the acetyl-end and amino-end amide I modes. The conformational changes occurring during relaxation are investigated, showing that the populations of the alpha and beta region conformers are altered by energy transfer in such a way that it takes 15 ps for the equilibrium conformational populations to be recovered after the initial excitation of the AlaD molecule.

  11. Influence of inhomogeneous damping distribution on sound radiation properties of complex vibration modes in rectangular plates

    NASA Astrophysics Data System (ADS)

    Unruh, Oliver

    2016-09-01

    In order to reduce noise emitted by vibrating structures additional damping treatments such as constraint layer damping or embedded elastomer layers can be used. To save weight and cost, the additional damping is often placed at some critical locations of the structure, what leads to spatially inhomogeneous distribution of damping. This inhomogeneous distribution of structural damping leads to an occurrence of complex vibration modes, which are no longer dominated by pure standing waves, but by a superposition of travelling and standing waves. The existence of complex vibration modes raises the question about their influence on sound radiation. Previous studies on the sound radiation of complex modes of rectangular plates reveal, that, depending on the direction of travelling waves, the radiation efficiency of structural modes can slightly decrease or significantly increase. These observations have been made using a rectangular plate with a simple inhomogeneous damping configuration which includes a single plate boundary with a higher structural damping ratio. In order to answer the question about the influence of other possible damping configurations on the sound radiation properties, this paper addresses the self- and mutual-radiation efficiencies of the resulting complex vibration modes. Numerical simulations are used for the calculation of complex structural modes of different inhomogeneous damping configurations with varying geometrical form and symmetry. The evaluation of self- and mutual-radiation efficiencies reveals that primarily the symmetry properties of the inhomogeneous damping distribution affect the sound radiation characteristics. Especially the asymmetric distributions of inhomogeneous damping show a high influence on the investigated acoustic metrics. The presented study also reveals that the acoustic cross-coupling between structural modes, which is described by the mutual-radiation efficiencies, generally increases with the presence of

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

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

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

  13. Active vibration control using an inertial actuator with internal damping.

    PubMed

    Paulitsch, Christoph; Gardonio, Paolo; Elliott, Stephen J

    2006-04-01

    Collocated direct velocity feedback with ideal point force actuators mounted on structures is unconditionally stable and generates active damping. When inertial actuators are used to generate the control force, the system can become unstable even for moderate velocity feedback gains due to an additional -180 degree phase lag introduced by the fundamental axial resonant mode of the inertial actuator. In this study a relative velocity sensor is used to implement an inner velocity feedback loop that generates internal damping in a lightweight, electrodynamic, inertial actuator. Simulation results for a model problem with the actuator mounted on a clamped plate show that, when internal relative velocity feedback is used in addition to a conventional external velocity feedback loop, there is an optimum combination of internal and external velocity feedback gains, which, for a given gain margin, maximizes vibration reduction. These predictions are validated in experiments with a specially built lightweight inertial actuator.

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

    NASA Astrophysics Data System (ADS)

    Huang, Yu-Hsi; Chiang, Hsin-Yuan

    2016-06-01

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

  15. Driving an Active Vibration Balancer to Minimize Vibrations at the Fundamental and Harmonic Frequencies

    NASA Technical Reports Server (NTRS)

    Holliday, Ezekiel S. (Inventor)

    2014-01-01

    Vibrations of a principal machine are reduced at the fundamental and harmonic frequencies by driving the drive motor of an active balancer with balancing signals at the fundamental and selected harmonics. Vibrations are sensed to provide a signal representing the mechanical vibrations. A balancing signal generator for the fundamental and for each selected harmonic processes the sensed vibration signal with adaptive filter algorithms of adaptive filters for each frequency to generate a balancing signal for each frequency. Reference inputs for each frequency are applied to the adaptive filter algorithms of each balancing signal generator at the frequency assigned to the generator. The harmonic balancing signals for all of the frequencies are summed and applied to drive the drive motor. The harmonic balancing signals drive the drive motor with a drive voltage component in opposition to the vibration at each frequency.

  16. a Normal Mode Expansion Method for the Undamped Forced Vibration of Linear Piezoelectric Solid

    NASA Astrophysics Data System (ADS)

    LIU, D.-C.

    2000-06-01

    A normal mode expansion method for the vibrational responses of non-homogeneous linear piezoelectric materials without damping is presented. It can be applied directly to arbitrary piezoelectric composites, which are widely used in vibrational and acoustic sensor/actuator/transmitter applications. In the present article it is shown that if the normal modes are given, the displacement field can be expanded as the linear superposition of normal modes, while the modal coefficients can be represented in terms of surface and volume integrals directly over the six types of distributed excitations without solving the quasi-static solution explicitly. The present treatment is a modification of an earlier work by Liu [11] using a different definition of the so-called quasi-static solution, and the damping effect has been neglected for simplicity. A simple example is given to exemplify the application of the present formulation.

  17. Relaxation Mechanism of the SD Vibrational Stretch Mode in Amorphous As_2S_3

    NASA Astrophysics Data System (ADS)

    Engholm, J. R.; Rella, C. W.; Schwettman, H. A.; Happek, U.

    1996-03-01

    Impurity molecules in a glassy host such as SD in As_2S3 exhibit inhomogeneous broadening in their vibrational stretch mode absorption lines caused by a site-dependent redshift due to hydrogen bonding. We have performed pump-probe measurements using the Stanford Picosecond Free Electron Laser to study the relaxation lifetime of the SD vibrational stretch mode in As_2S3 at 1800 cm-1. We find a strongly frequency dependent lifetime across the absorption line on the order of 10-10 seconds, similar to that previously measured for SH impurity molecules in the same host. We use the temperature dependence of the stretch mode lifetimes and linear infrared spectroscopy to identify the relaxation mechanism. This work was supported in part by the Office of Naval Research, Grant No. N00014-94-1-1024.

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

    SciTech Connect

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

    1991-01-01

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

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

    NASA Technical Reports Server (NTRS)

    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.

  20. Painting biological low-frequency vibrational modes from small peptides to proteins.

    PubMed

    Perticaroli, S; Russo, D; Paolantoni, M; Gonzalez, M A; Sassi, P; Nickels, J D; Ehlers, G; Comez, L; Pellegrini, E; Fioretto, D; Morresi, A

    2015-05-07

    Protein low-frequency vibrational modes are an important portion of a proteins' dynamical repertoire. Yet, it is notoriously difficult to isolate specific vibrational features in the spectra of proteins. Given an appropriately chosen model peptide, and using different experimental conditions, we can simplify the system and gain useful insights into the protein vibrational properties. Combining neutron scattering, depolarized light scattering, and molecular dynamics simulations, we analyse the low frequency vibrations of biological molecules, comparing the results from a small globular protein, lysozyme, and an amphiphilic peptide, NALMA, both in solution and in powder states. Lysozyme and NALMA present similar spectral features in the frequency range between 1 and 10 THz. With the aid of MD simulations, we assign the spectral features to methyl groups' librations (1-5 THz) and hindered torsions (5-10 THz) in NALMA. Our data also show that, while proteins display boson peak vibrations in both powder and solution forms, NALMA exhibits boson peak vibrations in powder form only. This provides insight into the nature of this feature, suggesting a connection of BP collective motions to a characteristic length scale of heterogeneities present in the system. These results provide context for the use of model peptide systems to study protein dynamics; demonstrating both their utility, and the great care that has to be used in extrapolating results observed in powder to solutions.

  1. Anharmonic and harmonic intermolecular vibrational modes of the DNA base pairs

    NASA Astrophysics Data System (ADS)

    Špirko, Vladimír; Šponer, Jiří; Hobza, Pavel

    1997-01-01

    Intermolecular vibrational modes of the H-bonded adenine…thymine Watson-Crick (AT) base pair were studied for the first time using multidimensional nonharmonic treatment. Relying on a Born-Oppenheimer-like separation of the fast and slow vibrational motions, the complete multidimensional vibrational problem is reduced to a six-dimensional subproblem in which all rearrangements between the pair fragments (i.e., adenine and thymine) can be described. Following the Hougen-Bunker-Johns approach and using appropriate vibrational coordinates, a nonrigid reference is defined which covers all motions on the low-lying part of the intermolecular potential surface and which facilitates the derivation of a suitable model Hamiltonian. The potential energy surface is determined at the ab initio Hartree-Fock level with minimal basis set (HF/MINI-1) and an analytic potential energy function is obtained by fitting to the ab initio data. This function is used to calculate vibrational energy levels and effective geometries within the framework of the model Hamiltonian, disregarding the role of the kinematic and potential (in-plane)-(out-of-plane) interactions. The calculations are in reasonable agreement with the normal coordinate analysis (harmonic treatment) thus indicating physical correctness of this standard approach for an approximate description of the lowest vibrational states of the AT base pair. In addition, to get a deeper insight, harmonic vibrational frequencies of the AT pair and 28 other base pairs are evaluated at the same and higher levels of theory [ab initio Hartree-Fock level with split-valence basis set (HF/6-31G**)]. The HF/MINI-1 and HF/6-31G** intermolecular harmonic vibrational frequencies differ by less than 30%. For all the base pairs, the buckle and propeller vibrational modes [for definition and nomenclature see R. E. Dickerson et al., EMBO J. 8, 1 (1989)] are the lowest ones, all being in the narrow interval (from 4 to 30 cm-1 in the harmonic

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

    NASA Technical Reports Server (NTRS)

    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.

  3. Sliding mode attitude control with L 2-gain performance and vibration reduction of flexible spacecraft with actuator dynamics

    NASA Astrophysics Data System (ADS)

    Hu, Qinglei

    2010-09-01

    This paper presents a dual-stage control system design method for the rotational maneuver control and vibration stabilization of a flexible spacecraft. In this design approach, the sub-systems of attitude control and vibration suppression are designed separately using the low order model. Based on the sliding mode control (SMC) theory, a discontinuous attitude control law in the form of the input voltage of the reaction wheel is derived to control the orientation of the spacecraft, incorporating the L 2-gain performance criterion constraint. The resulting closed-loop system is proven to be uniformly ultimately bounded stability and the effect of the external disturbance on both attitude quaternion and angular velocity can be attenuated to the prescribed level as well. In addition, an adaptive version of the control law is designed for adapting the unknown upper bounds of the lumped disturbance such that the limitation of knowing the bound of the disturbance in advance is released. For actively suppressing the induced vibration, strain rate feedback control method is also investigated by using piezoelectric materials as additional sensors and actuators bonded on the surface of the flexible appendages. Numerical simulations are performed to show that rotational maneuver and vibration suppression are accomplished in spite of the presence of disturbance and uncertainty.

  4. Higher-order vibrational mode frequency tuning utilizing fishbone-shaped microelectromechanical systems resonator

    NASA Astrophysics Data System (ADS)

    Suzuki, Naoya; Tanigawa, Hiroshi; Suzuki, Kenichiro

    2013-04-01

    Resonators based on microelectromechanical systems (MEMS) have received considerable attention for their applications for wireless equipment. The requirements for this application include small size, high frequency, wide bandwidth and high portability. However, few MEMS resonators with wide-frequency tuning have been reported. A fishbone-shaped resonator has a resonant frequency with a maximum response that can be changed according to the location and number of several exciting electrodes. Therefore, it can be expected to provide wide-frequency tuning. The resonator has three types of electrostatic forces that can be generated to deform a main beam. We evaluate the vibrational modes caused by each exciting electrodes by comparing simulated results with measured ones. We then successfully demonstrate the frequency tuning of the first to fifth resonant modes by using the algorithm we propose here. The resulting frequency tuning covers 178 to 1746 kHz. In addition, we investigate the suppression of the anchor loss to enhance the Q-factor. An experiment shows that tapered-shaped anchors provide a higher Q-factor than rectangular-shaped anchors. The Q-factor of the resonators supported by suspension beams is also discussed. Because the suspension beams cause complicated vibrational modes for higher frequencies, the enhancement of the Q-factor for high vibrational modes cannot be obtained here. At present, the tapered-anchor resonators are thought to be most suitable for frequency tuning applications.

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

    NASA Astrophysics Data System (ADS)

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

    2011-10-01

    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 power and phase dependence below and above the threshold for parametric oscillation. Then, the motion of a parametrically-driven mode is detected by the induced change in resonance frequency in another mode of the same resonator. The resonance frequency shift is the result of the nonlinear coupling between the modes by the displacement-induced tension in the beam. These nonlinear modal interactions result in the quadratic relation between the resonance frequency of one mode and the amplitude of another mode. The amplitude of a parametrically-oscillating mode depends on the square root of the pump frequency. Combining these dependencies yields a linear relation between the resonance frequency of the directly-driven mode and the frequency of the parametrically-oscillating mode.

  6. Posture and Vibration Control Based on Virtual Suspension Model Using Sliding Mode Control for Six-Legged Walking Robot

    NASA Astrophysics Data System (ADS)

    Huang, Qingjiu; Fukuhara, Yasuyuki; Chen, Xuedong

    In this paper, we proposed a robust control method based on the virtual suspension model for keeping the posture stability and decreasing the tiny vibration of the robot body when it is walking on irregular terrain. Firstly, we developed a six-legged walking robot for this study based on stable theory of wave gaits and CAD dynamic model. Secondly, in order to keep the posture stability of body when robot walks, we designed a virtual suspension model with one degree of freedom, which has virtual spring and damper, for the direction of the center of gravity, the pitch angle, and the roll angle of body respectively. And then, in order to decrease the tiny vibration of body when robot walks, we proposed an active suspension control by using sliding mode control based on a virtual suspension model. These proposed methods are discussed using the walking experimental results of the developed six-legged walking robot.

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

    NASA Technical Reports Server (NTRS)

    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.

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

    PubMed

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

    2002-11-07

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

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

    NASA Astrophysics Data System (ADS)

    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

  10. Vibrational modes and thermal transformation of purified single walled carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Kim, Un Jeong

    Vibrational modes of single-walled carbon nanotubes (SWNTs) and graphitic nanoribbons (GNRs) were studied using Raman scattering and/or Fourier Transform Infrared Spectroscopies, Variations in a three-step purification scheme to remove amorphous carbon and residual catalyst were studied: (step 1) Oxidation, (step 2) Acid Reflux, and (step 3) Thermal Annealing were found to remove most amorphous carbon (oxidation step) and residual metal catalyst (acid reflux step) which were the major impurity phases. By combining IR and Raman, we found considerable wall damage and functional groups (e.g.-COOH and-OH) could be introduced via H2O2 and HNO3 reflux. Surprisingly, vacuum annealing at ˜1100°C for a few hours was found to remove most wall damage and functional groups. Methods to break up large (purified) bundles of single-walled carbon nanotubes (SWNTs) to individual tubes were also investigated. Amide solvents with ultrasound were found to be very effective in debundling; initial purification treatment strongly impacted the outcome. SWNT material decorated with functional groups (e.g., -COOH) tended to produce higher yields of single tubes. Length and diameter distributions of individual tubes were measured using Atomic Force Microscopy. Aggressive chemical debundling processes were found to lead to more functionalization, higher degree of debundling and shorter tubes. The IR-active modes of SWNTs was observed for the first time by transmission method, some ten years after the discovery of the Raman-active modes. In concert with theoretical calculations, we were able to assign much of the sharp structure in the IR with anticipated one- and two-phonon lattice mode bands. Thermal evolution of bundled SWNT materials produced in the electric arc (ARC) and by CVD in CO gas (HiPCO) was also investigated. Although both ARC and HiPCO evolved thermally to multi-walled tubes (MWNTs), we found using electron microscopy that for T>2000°C ARC SWNTs (with significantly narrower

  11. Vibration attenuation of aircraft structures utilizing active materials

    NASA Astrophysics Data System (ADS)

    Agnes, Gregory S.; Whitehouse, Stephen R.; Mackaman, John R.

    1993-09-01

    The need for active vibration control for airborne laser systems was demonstrated during the late 1970s by the Airborne Laser Laboratory. Other possible applications include sonic fatigue alleviation, reduction of buffet induced fatigue, vibration control for embedded antennae, and active aeroelastic control. The purpose of this paper is to present an overview of active vibration control technology and its application to aircraft. Classification of classic aircraft vibration problems and currently available solutions are used to provide a framework for the study. Current solutions are classified as being either passive or active and by the methodology (modal modification or addition) used to reduce vibration. Possible applications for this technology in aircraft vibration control are presented within this framework to demonstrate the increased versatility active materials technologies provide the designer. An in- depth study of an active pylon to reduce wing/store vibration is presented as an example. Finally, perceived gaps in the existing technology base are identified and both on-going and future research plans in these areas are discussed.

  12. Control of the electronic phase of a manganite by mode-selective vibrational excitation.

    PubMed

    Rini, Matteo; Tobey, Ra'anan; Dean, Nicky; Itatani, Jiro; Tomioka, Yasuhide; Tokura, Yoshinori; Schoenlein, Robert W; Cavalleri, Andrea

    2007-09-06

    Controlling a phase of matter by coherently manipulating specific vibrational modes has long been an attractive (yet elusive) goal for ultrafast science. Solids with strongly correlated electrons, in which even subtle crystallographic distortions can result in colossal changes of the electronic and magnetic properties, could be directed between competing phases by such selective vibrational excitation. In this way, the dynamics of the electronic ground state of the system become accessible, and new insight into the underlying physics might be gained. Here we report the ultrafast switching of the electronic phase of a magnetoresistive manganite via direct excitation of a phonon mode at 71 meV (17 THz). A prompt, five-order-of-magnitude drop in resistivity is observed, associated with a non-equilibrium transition from the stable insulating phase to a metastable metallic phase. In contrast with light-induced and current-driven phase transitions, the vibrationally driven bandgap collapse observed here is not related to hot-carrier injection and is uniquely attributed to a large-amplitude Mn-O distortion. This corresponds to a perturbation of the perovskite-structure tolerance factor, which in turn controls the electronic bandwidth via inter-site orbital overlap. Phase control by coherent manipulation of selected metal-oxygen phonons should find extensive application in other complex solids--notably in copper oxide superconductors, in which the role of Cu-O vibrations on the electronic properties is currently controversial.

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

    SciTech Connect

    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.

  14. On the mode-coupling theory of vibrational line broadening in near-critical fluids.

    PubMed

    Lawrence, C P; Skinner, J L

    2004-05-08

    Molecular-dynamics simulations of a neat atomic fluid, coupled with a simple model for vibrational frequency perturbations, are used to investigate vibrational line broadening near the liquid-gas critical point. All features of our simulations are in qualitative agreement with recent Raman experiments on nitrogen. We also use our simulation results to assess the validity of the mode-coupling theories that have been used to analyze experiment. We find that the theoretical results are not in good agreement with simulation, both for the temperature dependence of the linewidth, and for the frequency time-correlation functions. However, the mode-coupling prediction that critical line broadening is due to the diverging correlation time of the frequency fluctuations is shown to be correct.

  15. Selective gating to vibrational modes through resonant X-ray scattering

    PubMed Central

    Couto, Rafael C.; Cruz, Vinícius V.; Ertan, Emelie; Eckert, Sebastian; Fondell, Mattis; Dantz, Marcus; Kennedy, Brian; Schmitt, Thorsten; Pietzsch, Annette; Guimarães, Freddy F.; Ågren, Hans; Gel'mukhanov, Faris; Odelius, Michael; Kimberg, Victor; Föhlisch, Alexander

    2017-01-01

    The dynamics of fragmentation and vibration of molecular systems with a large number of coupled degrees of freedom are key aspects for understanding chemical reactivity and properties. Here we present a resonant inelastic X-ray scattering (RIXS) study to show how it is possible to break down such a complex multidimensional problem into elementary components. Local multimode nuclear wave packets created by X-ray excitation to different core-excited potential energy surfaces (PESs) will act as spatial gates to selectively probe the particular ground-state vibrational modes and, hence, the PES along these modes. We demonstrate this principle by combining ultra-high resolution RIXS measurements for gas-phase water with state-of-the-art simulations. PMID:28106058

  16. Selective gating to vibrational modes through resonant X-ray scattering.

    PubMed

    Couto, Rafael C; Cruz, Vinícius V; Ertan, Emelie; Eckert, Sebastian; Fondell, Mattis; Dantz, Marcus; Kennedy, Brian; Schmitt, Thorsten; Pietzsch, Annette; Guimarães, Freddy F; Ågren, Hans; Gel'mukhanov, Faris; Odelius, Michael; Kimberg, Victor; Föhlisch, Alexander

    2017-01-20

    The dynamics of fragmentation and vibration of molecular systems with a large number of coupled degrees of freedom are key aspects for understanding chemical reactivity and properties. Here we present a resonant inelastic X-ray scattering (RIXS) study to show how it is possible to break down such a complex multidimensional problem into elementary components. Local multimode nuclear wave packets created by X-ray excitation to different core-excited potential energy surfaces (PESs) will act as spatial gates to selectively probe the particular ground-state vibrational modes and, hence, the PES along these modes. We demonstrate this principle by combining ultra-high resolution RIXS measurements for gas-phase water with state-of-the-art simulations.

  17. Selective gating to vibrational modes through resonant X-ray scattering

    NASA Astrophysics Data System (ADS)

    Couto, Rafael C.; Cruz, Vinícius V.; Ertan, Emelie; Eckert, Sebastian; Fondell, Mattis; Dantz, Marcus; Kennedy, Brian; Schmitt, Thorsten; Pietzsch, Annette; Guimarães, Freddy F.; Ågren, Hans; Gel'Mukhanov, Faris; Odelius, Michael; Kimberg, Victor; Föhlisch, Alexander

    2017-01-01

    The dynamics of fragmentation and vibration of molecular systems with a large number of coupled degrees of freedom are key aspects for understanding chemical reactivity and properties. Here we present a resonant inelastic X-ray scattering (RIXS) study to show how it is possible to break down such a complex multidimensional problem into elementary components. Local multimode nuclear wave packets created by X-ray excitation to different core-excited potential energy surfaces (PESs) will act as spatial gates to selectively probe the particular ground-state vibrational modes and, hence, the PES along these modes. We demonstrate this principle by combining ultra-high resolution RIXS measurements for gas-phase water with state-of-the-art simulations.

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

    PubMed

    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.

  19. A study of aliphatic amino acids using simulated vibrational circular dichroism and Raman optical activity spectra*

    NASA Astrophysics Data System (ADS)

    Ganesan, Aravindhan; Brunger, Michael J.; Wang, Feng

    2013-11-01

    Vibrational optical activity (VOA) spectra, such as vibrational circular dichroism (VCD) and Raman optical activity (ROA) spectra, of aliphatic amino acids are simulated using density functional theory (DFT) methods in both gas phase (neutral form) and solution (zwitterionic form), together with their respective infrared (IR) and Raman spectra of the amino acids. The DFT models, which are validated by excellent agreements with the available experimental Raman and ROA spectra of alanine in solution, are employed to study other aliphatic amino acids. The inferred (IR) intensive region (below 2000 cm-1) reveals the signature of alkyl side chains, whereas the Raman intensive region (above 3000 cm-1) contains the information of the functional groups in the amino acids. Furthermore, the chiral carbons of the amino acids (except for glycine) dominate the VCD and ROA spectra in the gas phase, but the methyl group vibrations produce stronger VCD and ROA signals in solution. The C-H related asymmetric vibrations dominate the VOA spectra (i.e., VCD and ROA) > 3000 cm-1 reflecting the side chain structures of the amino acids. Finally the carboxyl and the C(2)H modes of aliphatic amino acids, together with the side chain vibrations, are very active in the VCD/IR and ROA/Raman spectra, which makes such the vibrational spectroscopic methods a very attractive means to study biomolecules.

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

    NASA Technical Reports Server (NTRS)

    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.

  1. A mode-coupling theory of vibrational line broadening in near-critical fluids.

    PubMed

    Egorov, S A; Lawrence, C P; Skinner, J L

    2005-04-14

    We present a fully microscopic mode-coupling theory of near-critical line broadening. All the structural and dynamical input required by the theory is calculated directly from intermolecular potentials. We compute vibrational frequency time-correlation functions and line shapes as the critical point is approached along both the critical isochore and the liquid-gas coexistence curve. Theory is shown to be in good agreement with simulation.

  2. Vibrational modes in the Pmc21 structure of ZnGeN2

    NASA Astrophysics Data System (ADS)

    Hagemann, Mark; Bhandari, Churna; Lambrecht, Walter R. L.

    2016-05-01

    Vibrational normal modes at the Brillouin zone center and related Raman and infrared spectra are calculated from first-principles density functional perturbation theory for the until now hypothetical Pmc21 structure of ZnGeN2 and are compared with those in the known Pnb21 structure. Although there are great similarities in phonon spectra, we show that the distinctions are specific enough to experimentally distinguish the two crystal structures.

  3. A robust vibration control for a multi-active mount system subjected to broadband excitation

    NASA Astrophysics Data System (ADS)

    Nguyen, Vien-Quoc; Choi, Seung-Bok

    2011-05-01

    In this study, a frequency-shaped sliding mode control design is presented for the robust vibration control of a multi-active mount system in the presence of parametric uncertainties whose upper bounds are assumed to be known. The proposed mount system consists of four active mounts supporting vibration-sensitive equipment. Each active mount—constituted of a rubber element, an inertial mass and two piezostack actuators connected in serial configuration—can be modeled as a two-stage vibration isolator. After formulating the governing equations of motions of the mount system, a desired dynamic is specified in the frequency domain, and control laws are then derived to drive the system dynamics to the desired one based on Lyapunov's theorem. Simulations are performed in the frequency range from 100 to 1000 Hz in order to evaluate the effectiveness of the active mount system associated with the frequency-shaped sliding mode controller. It is demonstrated that the dynamic of the active mount system can approach the desired dynamic as the controller is activated. It also shown that robust vibration control performance is achieved in the presence of the parametric uncertainties.

  4. Potential energy and vibrational levels for local modes in water and acetylene

    NASA Astrophysics Data System (ADS)

    Wright, James S.; Donaldson, D. J.

    1985-03-01

    MRD Cl calculations are given for the potential energy along local X-H streching modes in water and acetylene, out to near dissolution. The Cl data points are accurately fitted by Morse functions up to half the well depth, but generalized (five-parameter) Morse functions are required to fit the whole range of data. The implications for the traetment of vibrational overtone levels are discussed, including a comparison of several treatments. Agreement with experimentally derived mode spectra is good, as is the agreement with bond distances and thermochemistry.

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

    NASA Astrophysics Data System (ADS)

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

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

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

    NASA Technical Reports Server (NTRS)

    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.

  7. Conformational Changes of Trialanine in Water Induced by Vibrational Relaxation of the Amide I Mode.

    PubMed

    Bastida, Adolfo; Zúñiga, José; Requena, Alberto; Miguel, Beatriz; Candela, María Emilia; Soler, Miguel Angel

    2016-01-21

    Most of the protein-based diseases are caused by anomalies in the functionality and stability of these molecules. Experimental and theoretical studies of the conformational dynamics of proteins are becoming in this respect essential to understand the origin of these anomalies. However, a description of the conformational dynamics of proteins based on mechano-energetic principles still remains elusive because of the intrinsic high flexibility of the peptide chains, the participation of weak noncovalent interactions, and the role of the ubiquitous water solvent. In this work, the conformational dynamics of trialanine dissolved in water (D2O) is investigated through Molecular Dynamics (MD) simulations combined with instantaneous normal modes (INMs) analysis both at equilibrium and after the vibrational excitation of the C-terminal amide I mode. The conformational equilibrium between α and pPII conformers is found to be altered by the intramolecular relaxation of the amide I mode as a consequence of the different relaxation pathways of each conformer which modify the amount of vibrational energy stored in the torsional motions of the tripeptide, so the α → pPII and pPII → α conversion rates are increased differently. The selectivity of the process comes from the shifts of the vibrational frequencies with the conformational changes that modify the resonance conditions driving the intramolecular energy flows.

  8. Non-equilibrium thermodynamics and collective vibrational modes of liquid water in an inhomogeneous electric field.

    PubMed

    Wexler, Adam D; Drusová, Sandra; Woisetschläger, Jakob; Fuchs, Elmar C

    2016-06-28

    In this experiment liquid water is subject to an inhomogeneous electric field (∇(2)Ea≈ 10(10) V m(2)) using a high voltage (20 kV) point-plane electrode system. Using interferometry it was found that the application of a strong electric field gradient to water generates local changes in the refractive index of the liquid, polarizes the surface and creates a downward moving electro-convective jet. A maximum temperature difference of 1 °C is measured in the immediate vicinity of the point electrode. Raman spectroscopy performed on water reveals an enhancement of the vibrational collective modes (3250 cm(-1)) as well as an increase in the local mode (3490 cm(-1)) energy. This bimodal enhancement indicates that the spectral changes are not due to temperature changes. The intense field gradient thus establishes an excited subpopulation of vibrational oscillators far from thermal equilibrium. Delocalization of the collective vibrational mode spatially expands this excited population beyond the microscale. Hindered rotational freedom due to electric field pinning of molecular dipoles retards the heat flow and generates a chemical potential gradient. These changes are responsible for the observed changes in the refractive index and temperature. It is demonstrated that polar liquids can thus support local non-equilibrium thermodynamic transient states critical to biochemical and environmental processes.

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

    PubMed Central

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

    2016-01-01

    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. PMID:27275823

  10. Active vibration damping using smart material

    NASA Technical Reports Server (NTRS)

    Baras, John S.; Yan, Zhuang

    1994-01-01

    We consider the modeling and active damping of an elastic beam using distributed actuators and sensors. The piezoelectric ceramic material (PZT) is used to build the actuator. The sensor is made of the piezoelectric polymer polyvinylidene fluoride (PVDF). These materials are glued on both sides of the beam. For the simple clamped beam, the closed loop controller has been shown to be able to extract energy from the beam. The shape of the actuator and its influence on the closed loop system performance are discussed. It is shown that it is possible to suppress the selected mode by choosing the appropriate actuator layout. It is also shown that by properly installing the sensor and determining the sensor shape we can further extract and manipulate the sensor signal for our control need.

  11. Exploring the relationship between vibrational mode locality and coupling using constrained optimization

    NASA Astrophysics Data System (ADS)

    Molina, Andrew; Smereka, Peter; Zimmerman, Paul M.

    2016-03-01

    The use of alternate coordinate systems as a means to improve the efficiency and accuracy of anharmonic vibrational structure analysis has seen renewed interest in recent years. While normal modes (which diagonalize the mass-weighted Hessian matrix) are a typical choice, the delocalized nature of this basis makes it less optimal when anharmonicity is in play. When a set of modes is not designed to treat anharmonicity, anharmonic effects will contribute to inter-mode coupling in an uncontrolled fashion. These effects can be mitigated by introducing locality, but this comes at its own cost of potentially large second-order coupling terms. Herein, a method is described which partially localizes vibrations to connect the fully delocalized and fully localized limits. This allows a balance between the treatment of harmonic and anharmonic coupling, which minimizes the error that arises from neglected coupling terms. Partially localized modes are investigated for a range of model systems including a tetramer of hydrogen fluoride, water dimer, ethene, diphenylethane, and stilbene. Generally, partial localization reaches ˜75% of maximal locality while introducing less than ˜30% of the harmonic coupling of the fully localized system. Furthermore, partial localization produces mode pairs that are spatially separated and thus weakly coupled to one another. It is likely that this property can be exploited in the creation of model Hamiltonians that omit the coupling parameters of the distant (and therefore uncoupled) pairs.

  12. Elastic Moduli and Damping of Vibrational Modes of Aluminum/Silicon Carbide Composite Beams

    NASA Technical Reports Server (NTRS)

    Leidecker, Henning

    1996-01-01

    Elastic and shear moduli were determined for two aluminum matrix composites containing 20 and 40 volume percent discontinuous silicon carbide, respectively, using transverse, longitudinal, and torsional vibrational modes of specimens prepared as thin beams. These moduli are consistent with those determined from stress-strain measurements. The damping factors for these modes were also determined. Thermal properties are used to show that part of the damping of transverse modes is caused by the transverse thermal currents discussed by C. Zener (thermo-elastic damping); this damping is frequency-dependent with a maximum damping factor of approximately 0.002. The remaining damping is frequency-independent, and has roughly similar values in transverse, longitudinal, and torsional modes: approximately 0.0001.

  13. A Survey of Active Vibration Isolation Systems for Microgravity Applications

    NASA Technical Reports Server (NTRS)

    Grodsinsky, Carlos M.; Whorton, Mark S.

    2000-01-01

    In view of the utility of space vehicles as orbiting science laboratories, the need for vibration isolation systems for acceleration sensitive experiments has gained increasing visibility. To date, three active microgravity vibration isolation systems have successfully been demonstrated in flight. This paper provides a tutorial discussion of the microgravity vibration isolation problem including a description of the acceleration environment of the International Space Station and attenuation requirements as well as a comparison of the dynamics of passive isolation, active rack-level isolation, and active payload-level isolation. This paper also surveys the flight test results of the three demonstrated systems: Suppression of Transient Accelerations By Levitation (STABLE); the Microgravity Vibration Isolation Mount (MIM); and the Active Rack Isolation System (ARIS).

  14. Survey of Active Vibration Isolation Systems for Microgravity Applications

    NASA Technical Reports Server (NTRS)

    Grodsinsky, Carlos M.; Whorton, Mark S.

    2000-01-01

    In view of the utility of space vehicles as orbiting science laboratories, the need for vibration isolation systems for acceleration-sensitive experiments has gained increasing visibility. To date, three active microgravity vibration isolation systems have successfully been demonstrated in flight. A tutorial discussion of the microgravity vibration isolation problem, including a description of the acceleration environment of the International Space Station and attenuation requirements, as well as a comparison or the dynamics of passive isolation, active rack-level isolation, and active payload-level isolation is provided. The flight test results of the three demonstrated systems: suppression of transient accelerations by levitation, the microgravity vibration isolation mount, and the active rack isolation system are surveyed.

  15. Active Suppression Of Vibrations In Stirling-Cycle Coolers

    NASA Technical Reports Server (NTRS)

    Johnson, Bruce G.; Flynn, Frederick J.; Gaffney, Monique S.

    1995-01-01

    Report presents results of early research directed toward development of active control systems for suppression of vibrations in spacecraft Stirling-cycle cryocoolers. Researchers developed dynamical models of cryocooler compressor.

  16. Vibalizer: a free, web-based tool for rapid, quantitative comparison and analysis of calculated vibrational modes.

    PubMed

    Grafton, Anthony K

    2007-05-01

    This report describes the development and applications of a software package called Vibalizer, the first and only method that provides free, fast, interactive, and quantitative comparison and analysis of calculated vibrational modes. Using simple forms and menus in a web-based interface, Vibalizer permits the comparison of vibrational modes from different, but similar molecules and also performs rapid calculation and comparison of isotopically substituted molecules' normal modes. Comparing and matching complex vibrational modes can be completed in seconds with Vibalizer, whereas matching vibrational modes manually can take hours and gives only qualitative comparisons subject to human error and differing individual judgments. In addition to these core features, Vibalizer also provides several other useful features, including the ability to automatically determine first-approximation mode descriptions, to help users analyze the results of vibrational frequency calculations. Because the software can be dimensioned to handle almost arbitrarily large systems, Vibalizer may be of particular use when analyzing the vibrational modes of complex systems such as proteins and extended materials systems. Additionally, the ease of use of the Vibalizer interface and the straightforward interpretation of results may find favor with educators who incorporate molecular modeling into their classrooms. The Vibalizer interface is available for free use at http://www.compchem.org, and it is also available as a locally-installable package that will run on a Linux-based web server.

  17. Active vibration control of a submerged cylindrical shell by piezoelectric sensors and actuators

    NASA Astrophysics Data System (ADS)

    Kwak, Moon K.; Yang, Dong-Ho; Lee, Jae-Ha

    2012-04-01

    The active vibration control of a submerged cylindrical shell by piezoelectric sensors and actuators is investigated. The fluid is assumed to be inviscid and irrotational in developing a theoretical model. The cylindrical shell is modelled by using the Rayleigh- Ritz method based on the Donnell-Mushtari shell theory. The fluid motion is modelled based on the baffled shell model, which is applied to the fluid-structure interaction problem. The kinetic energy of the fluid is derived by solving the boundary-value problem. The resulting equations of motion are expressed in matrix form, which enables us to design control easily. The natural vibration characteristics of the cylindrical shell in air and in water are investigated both theoretically and experimentally. The experimental results show that the natural frequencies of the submerged cylindrical shell decrease to a great extent compared the natural frequencies in air. However, the natural mode shapes for lower modes are not different from the mode shapes in air. Two MFC actuators were glued to the shell and the positive position feedback control was applied. Experiments on the active vibration control of the submerged cylindrical shell were carried out in water tank. Both theoretical and experimental results showed that both vibrations and sound radiation can be suppressed by piezoelectric actuators.

  18. Performance of active vibration control technology: the ACTEX flight experiments

    NASA Astrophysics Data System (ADS)

    Nye, T. W.; Manning, R. A.; Qassim, K.

    1999-12-01

    This paper discusses the development and results of two intelligent structures space-flight experiments, each of which could affect architecture designs of future spacecraft. The first, the advanced controls technology experiment I (ACTEX I), is a variable stiffness tripod structure riding as a secondary payload on a classified spacecraft. It has been operating well past its expected life since becoming operational in 1996. Over 60 on-orbit experiments have been run on the ACTEX I flight experiment. These experiments form the basis for in-space controller design problems and for concluding lifetime/reliability data on the active control components. Transfer functions taken during the life of ACTEX I have shown consistent predictability and stability in structural behavior, including consistency with those measurements taken on the ground prior to a three year storage period and the launch event. ACTEX I can change its modal characteristics by employing its dynamic change mechanism that varies preloads in portions of its structure. Active control experiments have demonstrated maximum vibration reductions of 29 dB and 16 dB in the first two variable modes of the system, while operating over a remarkable on-orbit temperature range of -80 °C to 129 °C. The second experiment, ACTEX II, was successfully designed, ground-tested, and integrated on an experimental Department of Defense satellite prior to its loss during a launch vehicle failure in 1995. ACTEX II also had variable modal behavior by virtue of a two-axis gimbal and added challenges of structural flexibility by being a large deployable appendage. Although the loss of ACTEX II did not provide space environment experience, ground testing resulted in space qualifying the hardware and demonstrated 21 dB, 14 dB, and 8 dB reductions in amplitude of the first three primary structural modes. ACTEX II could use either active and/or passive techniques to affect vibration suppression. Both experiments trailblazed

  19. The glassy and supercooled state of elemental sulfur: vibrational modes, structure metastability, and polymer content.

    PubMed

    Andrikopoulos, K S; Kalampounias, A G; Falagara, O; Yannopoulos, S N

    2013-09-28

    We report a detailed investigation of vibrational modes, structure, and dynamics of elemental sulfur in the glassy and the supercooled state, using Raman scattering and ab initio calculations. Polarized Raman spectra are recorded--for sulfur quenched from 473 K--over a broad temperature range from 93 K to 273 K where the supercooled liquid crystallized. The temperature induced shifts of the majority of the vibrational modes are determined and compared with the corresponding ones of crystalline sulfur. Analysis of the reduced isotropic spectra showed that the structure of the quenched product is composed of eight member rings (S8) and polymeric chains (Sμ) with a relative fraction comparable to that of the parent liquid at 473 K. Low temperature spectra, where spectral line broadening due to thermal effects is limited, revealed that two different polymeric species are present in the glass with distinct vibrational frequencies. Their interpretation was assisted by ab initio calculations used to simulate the vibrational frequencies of polymeric chains S(8k) (k = 1, ..., 7). Theoretical results exhibit an increasing breathing mode frequency for sulfur chains up to k = 2, although it remains constant beyond the above value. The polymeric content is metastable; heating the glass above its glass transition temperature, T(g), destabilizes the chains and drives them back to the more thermodynamically stable rings. This bond interchange mechanism provides the structural origin of a secondary relaxation process in supercooled sulfur reported long ago, which has been also considered as a complication in the correct fragility estimation of this material. Finally, the Boson peak of the glass was found to exhibit strong temperature dependence even at temperatures below T(g).

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

    NASA Astrophysics Data System (ADS)

    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.

  1. Statistics and Properties of Low-Frequency Vibrational Modes in Structural Glasses.

    PubMed

    Lerner, Edan; Düring, Gustavo; Bouchbinder, Eran

    2016-07-15

    Low-frequency vibrational modes play a central role in determining various basic properties of glasses, yet their statistical and mechanical properties are not fully understood. Using extensive numerical simulations of several model glasses in three dimensions, we show that in systems of linear size L sufficiently smaller than a crossover size L_{D}, the low-frequency tail of the density of states follows D(ω)∼ω^{4} up to the vicinity of the lowest Goldstone mode frequency. We find that the sample-to-sample statistics of the minimal vibrational frequency in systems of size Lmodes are spatially quasilocalized and that their localization and associated quartic anharmonicity are largely frequency independent. The effect of preparation protocols on the low-frequency modes is elucidated, and a number of glassy length scales are briefly discussed.

  2. Activated-like hopping transition in weakly vibrated granular media

    NASA Astrophysics Data System (ADS)

    D'Anna, G.; Gremaud, G.

    2001-06-01

    The slow dynamics of a weakly vibrated granular medium is investigated using a low-frequency forced torsion pendulum method. A loss factor peak is observed in the pendulum response (or the granular susceptibility) as a function of the vibration intensity or the forcing frequency. The position of the peak follows an Arrhenius-like behaviour and the data can be described as an activated hopping process. The peak can be seen as a vibration-induced glass-like transition between a low-Γ jammed phase and the high-Γ fluid-like phase.

  3. Active vibration control using optimized modified acceleration feedback with Adaptive Line Enhancer for frequency tracking

    NASA Astrophysics Data System (ADS)

    Nima Mahmoodi, S.; Craft, Michael J.; Southward, Steve C.; Ahmadian, Mehdi

    2011-03-01

    Modified acceleration feedback (MAF) control, an active vibration control method that uses collocated piezoelectric actuators and accelerometer is developed and its gains optimized using an optimal controller. The control system consists of two main parts: (1) frequency adaptation that uses Adaptive Line Enhancer (ALE) and (2) an optimized controller. Frequency adaptation method tracks the frequency of vibrations using ALE. The obtained frequency is then fed to MAF compensators. This provides a unique feature for MAF, by extending its domain of capabilities from controlling a certain mode of vibrations to any excited mode. The optimized MAF controller can provide optimal sets of gains for a wide range of frequencies, based on the characteristics of the system. The experimental results show that the frequency tracking method works quite well and fast enough to be used in a real-time controller. ALE parameters are numerically and experimentally investigated and tuned for optimized frequency tracking. The results also indicate that the MAF can provide significant vibration reduction using the optimized controller. The control power varies for vibration suppression at different resonance frequencies; however, it is always optimized.

  4. Mode-specific vibrational energy relaxation of amide I' and II' modes in N-methylacetamide/water clusters: intra- and intermolecular energy transfer mechanisms.

    PubMed

    Zhang, Yong; Fujisaki, Hiroshi; Straub, John E

    2009-04-02

    The mode-specific vibrational energy relaxation of the amide I' and amide II' modes in NMA-d(1)/(D(2)O)(n) (n = 0-3) clusters were studied using the time-dependent perturbation theory at the B3LYP/aug-cc-pvdz level. The amide modes were identified for each cluster based on the potential energy distribution of each mode. The vibrational population relaxation time constants were derived for the amide I' and II' modes. Results for the amide I' mode relaxation of NMA-d(1)/(D(2)O)(3) agree well with previous experimental results. The energy relaxation pathways were identified, and both intra- and intermolecular mechanisms were found to be important. The amide II' mode was identified in the energy transfer pathways from the excited amide I' mode of NMA-d(1)/(D(2)O)(n) (n = 1-3) clusters. The modes associated with methyl group deformation were found to play a role in the mechanism of energy transfer from both excited amide I' and II' modes. The kinetics of energy flow in the cluster were examined by solving a master equation describing the vibrational energy relaxation process from excited system mode as a multistep reaction with the third order Fermi resonance parameters as the reaction rate constants. The intramolecular energy transfer mechanism was found to dominate the short time energy flow dynamics, whereas the intermolecular mechanism was found to be dominant at longer times.

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

    NASA Astrophysics Data System (ADS)

    Cho, Dae Seung; Vladimir, Nikola; Choi, Tae MuK

    2013-09-01

    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.

  6. Collective vibrational modes in biological molecules investigated by terahertz time-domain spectroscopy.

    PubMed

    Walther, M; Plochocka, P; Fischer, B; Helm, H; Uhd Jepsen, P

    2002-01-01

    We present well-resolved absorption spectra of biological molecules in the far-IR (FIR) spectral region recorded by terahertz time-domain spectroscopy (THz-TDS). As an illustrative example we discuss the absorption spectra of benzoic acid, its monosubstitutes salicylic acid (2-hydroxy-benzoic acid), 3- and 4-hydroxybenzoic acid, and aspirin (acetylsalicylic acid) in the spectral region between 18 and 150 cm(-1). The spectra exhibit distinct features originating from low-frequency vibrational modes caused by intra- or intermolecular collective motion and lattice modes. Due to the collective origin of the observed modes the absorption spectra are highly sensitive to the overall structure and configuration of the molecules, as well as their environment. The THz-TDS procedure can provide a direct fingerprint of the molecular structure or conformational state of a compound.

  7. Low participation ratio vibrational modes in a limit-periodic structure

    NASA Astrophysics Data System (ADS)

    Marcoux, Catherine; Socolar, Joshua E. S.

    Motivated by the demonstration that patterned colloidal particles may form a limit-periodic phase, we study the nature of vibrational modes in a toy model based on the Taylor-Socolar tiling. We consider a triangular lattice of identical point masses with nearest neighbors connected by springs of two different strengths, where the pattern of spring constants reflects the limit-periodic structure of the tiling. Using calculations of the phonon spectra for crystalline approximants to the limit-periodic structure, we identify several hierarchies of modes shared by the full limit-periodic system that have arbitrarily low participation ratios. We present a heuristic explanation of the existence of such modes, which are robust in the presence of vacancies and small amounts of disorder in the spring constants. Supported by the NSF Research Triangle MRSEC (DMR-1121107).

  8. Goos–Hänchen effect for optical vibrational modes in a semiconductor structure

    NASA Astrophysics Data System (ADS)

    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.

  9. [Study on THz spectra and vibrational modes of benzoic acid and sodium Benzoate].

    PubMed

    Zheng, Zhuan-Ping; Fan, Wen-Hui; Yan, Hui; Liu, Jia; Xu, Li-Min

    2013-03-01

    Terahertz time-domain spectroscopy was employed to measure the terahertz absorption spectra of benzoic acid and sodium benzoate at room temperature. The origins of the measured features of benzoic acid were summarized based on previous study. Density functional theory was used to compute and analyze the molecular structure and vibrational modes of sodium benzoate in monomer. Based on the obtained results, the authors found that the THz spectral features can be used to distinguish benzoic acid and sodium benzoate totally; the essential reason for the THz spectral difference between benzoic acid and sodium benzoate is that the electrovalent bond of sodium benzoate affects the values of covalent bond lengths and bond angles, as well as the molecular interactions and arrangement in unit cell; the measured features of benzoic acid and sodium benzoate come from the collective vibrations except the peaks located at 107 cm-1 of benzoic acid and 54 cm-1 of sodium benzoate.

  10. Calculated strain response of vibrational modes for H-containing point defects in diamond.

    PubMed

    Goss, Jonathan P; Briddon, Patrick R

    2011-06-28

    The low mass of hydrogen leads to highly localised, high-frequency vibrational modes associated with H-containing defects in crystalline materials. In addition to vibrational spectroscopy, the presence of hydrogen in diamond has been identified from several experimental techniques. In particular, paramagnetic resonance shows that H is often associated with lattice vacancies, but in many cases the microscopic structure of the defects remains to be determined. We present the results of first-principles density-functional modelling of selected H-containing point defects, reporting both the calculated frequencies and the change in frequencies with applied strain. We show that more constrained environments lead to significantly larger strain-related shifts in frequency than more open environments, such as where the H is associated with lattice vacancies.

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

    PubMed

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

    2017-03-29

    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.

  12. Influence of mono-axis random vibration on reading activity.

    PubMed

    Bhiwapurkar, M K; Saran, V H; Harsha, S P; Goel, V K; Berg, Mats

    2010-01-01

    Recent studies on train passengers' activities found that many passengers were engaged in some form of work, e.g., reading and writing, while traveling by train. A majority of the passengers reported that their activities were disturbed by vibrations or motions during traveling. A laboratory study was therefore set up to study how low-frequency random vibrations influence the difficulty to read. The study involved 18 healthy male subjects of 23 to 32 yr of age group. Random vibrations were applied in the frequency range (1-10 Hz) at 0.5, 1.0 and 1.5 m/s(2) rms amplitude along three directions (longitudinal, lateral and vertical). The effect of vibration on reading activity was investigated by giving a word chain in two different font types (Times New Roman and Arial) and three different sizes (10, 12 and 14 points) of font for each type. Subjects performed reading tasks under two sitting positions (with backrest support and leaning over a table). The judgments of perceived difficulty to read were rated using 7-point discomfort judging scale. The result shows that reading difficulty increases with increasing vibration magnitudes and found to be maximum in longitudinal direction, but with leaning over a table position. In comparison with Times New Roman type and sizes of font, subjects perceived less difficulty with Arial type for all font sizes under all vibration magnitude.

  13. Elements of active vibration control for rotating machinery

    NASA Technical Reports Server (NTRS)

    Ulbrich, Heinz

    1990-01-01

    The success or failure of active vibration control is determined by the availability of suitable actuators, modeling of the entire system including all active elements, positioning of the actuators and sensors, and implementation of problem-adapted control concepts. All of these topics are outlined and their special problems are discussed in detail. Special attention is given to efficient modeling of systems, especially for considering the active elements. Finally, design methods for and the application of active vibration control on rotating machinery are demonstrated by several real applications.

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

    NASA Astrophysics Data System (ADS)

    Guo, Wei; Tse, Peter W.

    2013-01-01

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

  15. Vibrational modes of GaN nanowires in the gigahertz range

    NASA Astrophysics Data System (ADS)

    Johnson, W. L.; Kim, S. A.; Geiss, R.; Flannery, C. M.; Bertness, K. A.; Heyliger, P. R.

    2012-12-01

    Brillouin-light-scattering measurements and finite-element modeling of vibrational spectra in the range of 5-40 GHz are presented for an array of monocrystalline GaN nanowires with hexagonal cross sections. Analysis of the spectra is substantially complicated by the presence of a distribution of nanowire diameters. The measurements and calculations reveal a variety of modes with simple flexural, higher-order flexural, approximately ‘plane-strain’, approximately longitudinal and torsional displacement patterns that are similar to the corresponding modes of isotropic cylinders. The largest peaks in the spectra with acoustic angular wavenumbers in the range of 4 to ˜15 μm-1 were determined to arise from modes with relatively large transverse displacements, consistent with inelastic light scattering arising predominantly from surface ripple. These dominant modes have finite frequencies in the limit of zero wavenumber, corresponding to transverse standing waves. At higher wavenumbers, the spectra provide evidence for increased scattering through elasto-optic coupling, especially with respect to the emergence of a peak from a mode analogous to the longitudinal guided modes of thin films. This manuscript is a contribution of the National Institute of Standards and Technology and is not subject to copyright in the United States.

  16. Intramolecular vibrations in low-frequency normal modes of amino acids: L-alanine in the neat solid state.

    PubMed

    Zhang, Feng; Wang, Houng-Wei; Tominaga, Keisuke; Hayashi, Michitoshi

    2015-03-26

    This paper presents a theoretical analysis of the low-frequency phonons of L-alanine by using the solid-state density functional theory at the Γ point. We are particularly interested in the intramolecular vibrations accessing low-frequency phonons via harmonic coupling with intermolecular vibrations. A new mode-analysis method is introduced to quantify the vibrational characteristics of such intramolecular vibrations. We find that the torsional motions of COO(-) are involved in low-frequency phonons, although COO(-) is conventionally assumed to undergo localized torsion. We also find the broad distributions of intramolecular vibrations relevant to important functional groups of amino acids, e.g., the COO(-) and NH3(+) torsions, in the low-frequency phonons. The latter finding is illustrated by the concept of frequency distribution of vibrations. These findings may lead to immediate implications in other amino acid systems.

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

    PubMed

    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.

  18. Detection of degradation in polyester implants by analysing mode shapes of structure vibration.

    PubMed

    Samami, Hassan; Pan, Jingzhe

    2016-09-01

    This paper presents a numerical study on using vibration analysis to detect degradation in degrading polyesters. A numerical model of a degrading plate sample is considered. The plate is assumed to degrade following the typical behaviour of amorphous copolymers of polylactide and polyglycolide. Due to the well-known autocatalytic effect in the degradation of these polyesters, the inner core of the plate degrades faster than outer surface region, forming layers of materials with varying Young׳s modulus. Firstly the change in molecular weight and corresponding change in Young׳s modulus at different times are calculated using the mathematical models developed in our previous work. Secondly the first four mode shapes of transverse vibration of the plate are calculated using the finite element method. Finally the curvature of the mode shapes are calculated and related to the spatial distribution of the polymer degradation. It is shown that the curvature of the mode shapes can be used to detect the onset and distribution of polymer degradation. The level of measurement accuracy required in an experiment is presented to guide practical applications of the method. At the end of this paper a demonstration case of coronary stent is presented showing how the method can be used to detect degradation in an implant of sophisticated structure.

  19. Docking Prediction of a Water Soluble Porphyrin and Tubulin Assisted with Resonance Raman and Vibrational Mode Analysis

    NASA Astrophysics Data System (ADS)

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

    2015-03-01

    The ability to modify protein conformation by controlling its partial unfolding may have practical applications such as diminishing its function or blocking its activity. One method used to induce partial unfolding of a protein involves the use of a photosensitizer non-covalently bound to a protein that triggers photochemical reactions upon irradiation leading to protein conformational changes. We are investigating the photoinduced conformational changes of tubulin mediated by a bound water-soluble porphyrin that acts as a photosensitizer. Analysis of how tubulin conformational changes affect its function including polymeric assembly forming microtubules is of interest to uncover the mechanism responsible for the structural change. Our approach to better understand the conformational change, we first plan to discover the binding location between the porphyrin and protein. Use of vibrational mode analysis using density functional theory and resonance Raman experiments targeting the porphyrin molecule will be used to correlate Raman peaks with vibrational modes. The relative intensities of the porphyrin bound to tubulin can be used to calculate the equilibrium geometry observed from Raman spectra. These data will provide the relative distortion of the porphyrin when bound to tubulin, which will subsequently be used in docking simulations to find the most likely binding configuration.

  20. Ionization energy and active cation vibrations of trans-2-fluorostyrene

    NASA Astrophysics Data System (ADS)

    Wu, Pei Ying; Tzeng, Sheng Yuan; Hsu, Ya Chu; Tzeng, Wen Bih

    2017-02-01

    We applied the two-color resonant two-photon mass-analyzed threshold ionization (MATI) technique to record the cation spectra of trans-2-fluorostyrene by ionizing via six intermediate vibronic levels. The adiabatic ionization energy was determined to be 69 304 ± 5 cm-1. The distinct MATI bands at 67, 124, 242, 355, 737, 806, 833, and 993 cm-1 were assigned to the active cation vibrations related to out-of-plane substituent-sensitive bending vibrations and in-plane ring deformation and bending motions. Many combination vibrations were also observed. Our experimental results suggest that the molecular geometry and vibrational coordinates of the trans-2-fluorostyrene cation in the D0 state resemble those of the neutral species in the S1 state.

  1. Active control of bending vibrations in thick bars using PZT stack actuators

    SciTech Connect

    Redmond, J.; Parker, G.; Barney, P.; Rodeman, R.

    1995-07-01

    An experimental investigation into active control of bending vibrations in thick bar and plate-like structural elements is described. This work is motivated by vibration problems in machine tools and photolithography machines that require greater control authority than available from conventional surface mounted PZT patches or PVDF films. Focus of this experiment is a cantilevered circular steel bar in which PZT stacks are mounted in cutouts near the bar root. Axially aligned and offset from the neutral axis, these actuators control the bending vibrations by generating moments in the bar through their compressive loads. A Positive Feedback control law is used to significantly augment the damping in the first bending mode. Implications of the experimental results for machine tool stability enhancement are discussed.

  2. Active vibration control of basic structures using macro fiber composites

    NASA Astrophysics Data System (ADS)

    Yi, Guo; Wang, Jinming; Liu, Liwu; Liu, Yanju; Leng, Jinsong

    2011-03-01

    In the modern naval battle, as the anti-detection technique developing fleetly, enhancing submarine's hidden ability is becoming more and more important. However, in view of the worse control effect at low-frequency and weak adjustability to external influence, conventional passive vibration control can't satisfy the modern naval rigorous demands. Fortunately, active vibration control technology not only monitors the structure's real-time vibration, but also has more remarkable control effects and superior suitability. At the present time, it has a primary application in the vibration damping of ship engineering. In addition, due to functional materials rapidly developing, with the coming of piezoelectric composite materials, the advanced active control techniques have more applicability, lager damp amplitude and wider applied field, which basing on the piezoelectric-effect and inverse- piezoelectric-effect of piezoelectric materials. Especially, in the end of nineties, NASA had successfully manufactured the excellent macro fiber composite (MFC), which assembles actuating and sensing abilities. Comparing with the conventional piezoelectric ceramic materials, it provides the required durability, excellent flexibility, higher electromechanical coupling factors and stronger longitudinal actuating force by using interdigital electrodes. On the basis of the application of cantilever beam' active vibration control by using MFC actuators, this paper started with the mechanical characteristics of its actuating and sensing equations, and then investigated its piezoelectric feedback scale factor when equipped on the honeycomb aluminous panel. Finally, in order to validate the theoretical analysis method, the vibration control experiment of cantilever beam and honeycomb aluminous panel are built and tested with different activating force. The experimental results verify that MFC used in submarine structures' active vibration control are feasible and effective.

  3. Active and passive vibration suppression for space structures

    NASA Technical Reports Server (NTRS)

    Hyland, David C.

    1991-01-01

    The relative benefits of passive and active vibration suppression for large space structures (LSS) are discussed. The intent is to sketch the true ranges of applicability of these approaches using previously published technical results. It was found that the distinction between active and passive vibration suppression approaches is not as sharp as might be thought at first. The relative simplicity, reliability, and cost effectiveness touted for passive measures are vitiated by 'hidden costs' bound up with detailed engineering implementation issues and inherent performance limitations. At the same time, reliability and robustness issues are often cited against active control. It is argued that a continuum of vibration suppression measures offering mutually supporting capabilities is needed. The challenge is to properly orchestrate a spectrum of methods to reap the synergistic benefits of combined advanced materials, passive damping, and active control.

  4. Active control of multiple resistive wall modes

    NASA Astrophysics Data System (ADS)

    Brunsell, P. R.; Yadikin, D.; Gregoratto, D.; Paccagnella, R.; Liu, Y. Q.; Bolzonella, T.; Cecconello, M.; Drake, J. R.; Kuldkepp, M.; Manduchi, G.; Marchiori, G.; Marrelli, L.; Martin, P.; Menmuir, S.; Ortolani, S.; Rachlew, E.; Spizzo, G.; Zanca, P.

    2005-12-01

    A two-dimensional array of saddle coils at Mc poloidal and Nc toroidal positions is used on the EXTRAP T2R reversed-field pinch (Brunsell P R et al 2001 Plasma Phys. Control. Fusion 43 1457) to study active control of resistive wall modes (RWMs). Spontaneous growth of several RWMs with poloidal mode number m = 1 and different toroidal mode number n is observed experimentally, in agreement with linear MHD modelling. The measured plasma response to a controlled coil field and the plasma response computed using the linear circular cylinder MHD model are in quantitive agreement. Feedback control introduces a linear coupling of modes with toroidal mode numbers n, n' that fulfil the condition |n - n'| = Nc. Pairs of coupled unstable RWMs are present in feedback experiments with an array of Mc × Nc = 4 × 16 coils. Using intelligent shell feedback, the coupled modes are generally not controlled even though the field is suppressed at the active coils. A better suppression of coupled modes may be achieved in the case of rotating modes by using the mode control feedback scheme with individually set complex gains. In feedback with a larger array of Mc × Nc = 4 × 32 coils, the coupling effect largely disappears, and with this array, the main internal RWMs n = -11, -10, +5, +6 are all simultaneously suppressed throughout the discharge (7 8 wall times). With feedback there is a two-fold extension of the pulse length, compared to discharges without feedback.

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

    NASA Astrophysics Data System (ADS)

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

    2017-04-01

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

  6. Vibrational modes and changing molecular conformation of perfluororubrene in thin films and solution.

    PubMed

    Anger, F; Scholz, R; Gerlach, A; Schreiber, F

    2015-06-14

    We investigate the vibrational properties of perfluororubrene (PF-RUB) in thin films on silicon wafers with a native oxide layer as well as on silicon wafers covered with a self-assembled monolayer and in dichloromethane solution. In comparison with computed Raman and IR spectra, we can assign the molecular modes and identify two molecular conformations with twisted and planar tetracene backbones of the molecule. Moreover, we employ Raman imaging techniques to study the morphology and distribution of the molecular conformation in PF-RUB thin films.

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

    PubMed

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

    2017-04-12

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

  8. Effect of the boundary conditions and influence of the rotational inertia on the vibrational modes of an elastic ring.

    PubMed

    Clauvelin, Nicolas; Olson, Wilma K; Tobias, Irwin

    2014-04-01

    We present the small-amplitude vibrations of a circular elastic ring with periodic and clamped boundary conditions. We model the rod as an inextensible, isotropic, naturally straight Kirchhoff elastic rod and obtain the vibrational modes of the ring analytically for periodic boundary conditions and numerically for clamped boundary conditions. Of particular interest are the dependence of the vibrational modes on the torsional stress in the ring and the influence of the rotational inertia of the rod on the mode frequencies and amplitudes. In rescaling the Kirchhoff equations, we introduce a parameter inversely proportional to the aspect ratio of the rod. This parameter makes it possible to capture the influence of the rotational inertia of the rod. We find that the rotational inertia has a minor influence on the vibrational modes with the exception of a specific category of modes corresponding to high-frequency twisting deformations in the ring. Moreover, some of the vibrational modes over or undertwist the elastic rod depending on the imposed torsional stress in the ring.

  9. Hydrogen vibrational modes on graphene and relaxation of the C-H stretch excitation from first-principles calculations.

    PubMed

    Sakong, Sung; Kratzer, Peter

    2010-08-07

    Density functional theory (DFT) calculations are used to determine the vibrational modes of hydrogen adsorbed on graphene in the low-coverage limit. Both the calculated adsorption energy of a H atom of 0.8 eV and calculated C-H stretch vibrational frequency of 2552 cm(-1) are unusually low for hydrocarbons, but in agreement with data from electron energy loss spectroscopy on hydrogenated graphite. The clustering of two adsorbed H atoms observed in scanning tunneling microscopy images shows its fingerprint also in our calculated spectra. The energetically preferred adsorption on different sublattices correlates with a blueshift of the C-H stretch vibrational modes in H adatom clusters. The C-H bending modes are calculated to be in the 1100 cm(-1) range, resonant with the graphene phonons. Moreover, we use our previously developed methods to calculate the relaxation of the C-H stretch mode via vibration-phonon interaction, using the Born-Oppenheimer surface for all local modes as obtained from the DFT calculations. The total decay rate of the H stretch into other H vibrations, thereby creating or annihilating one graphene phonon, is determined from Fermi's golden rule. Our calculations using the matrix elements derived from DFT calculations show that the lifetime of the H stretch mode on graphene is only several picoseconds, much shorter than on other semiconductor surfaces such as Ge(001) and Si(001).

  10. Mode-splitting and quasi-degeneracies in circular plate vibration problems: The example of free vibrations of the stator of a traveling wave ultrasonic motor

    NASA Astrophysics Data System (ADS)

    Kumar, Ashwin; Krousgrill, Charles M.

    2012-12-01

    In systems with rotational symmetry, bending modes occur in doubly-degenerate pairs with two independent vibration modes for each repeated natural frequency. In circular plates, the standing waves of two such degenerate bending modes can be superposed with a 1/4 period separation in time to yield a traveling wave response. This is the principle of a traveling wave ultrasonic motor (TWUM), in which a traveling bending wave in a stator drives the rotor through a friction contact. The stator contains teeth to increase the speed at the contact region, and these affect the rotational symmetry of the plate. When systems with rotational symmetry are modified either in their geometry, or by spatially varying their properties or boundary conditions, some mode-pairs split into singlet modes having distinct frequencies. In addition, coupling between some pairs of distinct unperturbed modes also causes quasi-degeneracies in the perturbed modes, which leads their frequency curves to approach and veer away in some regions of the parameter space. This paper discusses the effects of tooth geometry on the behavior of plate modes under free vibration. It investigates mode splitting and quasi-degeneracies and derives analytic expressions to predict these phenomena, using variational methods and a degenerate perturbation scheme for the solution to the plate's discrete eigenvalue problem; these expressions are confirmed by solving the discrete eigenvalue problem of the plate with teeth.

  11. Instantaneous normal modes, resonances, and decay channels in the vibrational relaxation of the amide I mode of N-methylacetamide-D in liquid deuterated water.

    PubMed

    Bastida, Adolfo; Soler, Miguel Angel; Zúñiga, José; Requena, Alberto; Kalstein, Adrián; Fernández-Alberti, Sebastián

    2010-06-14

    A nonequilibrium molecular dynamics (MD) study of the vibrational relaxation of the amide I mode of deuterated N-methylacetamide (NMAD) in aqueous (D(2)O) solution is carried out using instantaneous normal modes (INMs). The identification of the INMs as they evolve over time, which is necessary to analyze the energy fluxes, is made by using a novel algorithm which allows us to assign unequivocally each INM to an individual equilibrium normal mode (ENM) or to a group of ENMs during the MD simulations. The time evolution of the energy stored in each INM is monitored and the occurrence of resonances during the relaxation process is then investigated. The decay of the amide I mode, initially excited with one vibrational quantum, is confirmed to fit well to a biexponential function, implying that the relaxation process involves at least two mechanisms with different rate constants. By freezing the internal motions of the solvent, it is shown that the intermolecular vibration-vibration channel to the bending modes of the solvent is closed. The INM analysis reveals then the existence of a major and faster decay channel, which corresponds to an intramolecular vibrational redistribution process and a minor, and slower, decay channel which involves the participation of the librational motions of the solvent. The faster relaxation pathway can be rationalized in turn using a sequential kinetic mechanism of the type P-->M+L-->L, where P (parent) is the initially excited amide I mode, and M (medium) and L (low) are specific midrange and lower-frequency NMAD vibrational modes, respectively.

  12. Investigation on active vibration isolation of a Stewart platform with piezoelectric actuators

    NASA Astrophysics Data System (ADS)

    Wang, Chaoxin; Xie, Xiling; Chen, Yanhao; Zhang, Zhiyi

    2016-11-01

    A Stewart platform with piezoelectric actuators is presented for micro-vibration isolation. The Jacobi matrix of the Stewart platform, which reveals the relationship between the position/pointing of the payload and the extensions of the six struts, is derived by kinematic analysis. The dynamic model of the Stewart platform is established by the FRF (frequency response function) synthesis method. In the active control loop, the direct feedback of integrated forces is combined with the FxLMS based adaptive feedback to dampen vibration of inherent modes and suppress transmission of periodic vibrations. Numerical simulations were conducted to prove vibration isolation performance of the Stewart platform under random and periodical disturbances, respectively. In the experiment, the output consistencies of the six piezoelectric actuators were measured at first and the theoretical Jacobi matrix as well as the feedback gain of each piezoelectric actuator was subsequently modified according to the measured consistencies. The direct feedback loop was adjusted to achieve sufficient active damping and the FxLMS based adaptive feedback control was adopted to suppress vibration transmission in the six struts. Experimental results have demonstrated that the Stewart platform can achieve 30 dB attenuation of periodical disturbances and 10-20 dB attenuation of random disturbances in the frequency range of 5-200 Hz.

  13. Signatures of different vibrational modes in strong-field fragmentation of diiodomethane

    NASA Astrophysics Data System (ADS)

    Kaderiya, B.; Malakar, Y.; Kanaka Raju, P.; Pearson, W. L.; Ziaee, F.; Jensen, K.; Rajput, J.; Ben-Itzhak, I.; Roles, D.; Rudenko, A.

    2016-05-01

    The diiodomethane molecule (CH2 I2) has served as a model system for time-domain studies of large-scale bending vibrations and concerted elimination of I2+.Here we present the results of a time-resolved 3D Coulomb explosion imaging experiment on diiodomethane that maps ultrafast dynamics of both, bound and dissociating nuclear wave packets driven by a strong laser field. Measuring yields, kinetic energies and emission angles of coincident ionic fragments as a function of time delay between two 25 fs, 800 nm pump and probe pulses, we track the propagation of different dissociation pathways and visualize vibrational motion of the molecule. Analyzing channel-selective Fourier spectra, we observe signatures of both, bending and stretching vibrations of diiodomethane, and reveal correlation between bending motion (the I-C-I ``scissors'' mode) and different fragmentation pathways, including I2+elimination. Supported by the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U. S. DOE. K. R. P. and W. L. P. supported by NSF Award No. IIA-143049, K.J. supported by the NSF-REU Grant No. PHYS-1461251.

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

    PubMed

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  16. A New Formalism for Quantifying Character of Vibrational Modes in Solids: Distinguishing Between Propagons, Diffusons and Locons

    NASA Astrophysics Data System (ADS)

    Seyf, Hamid Reza; Henry, Asegun

    2017-01-01

    The solutions to the equations of motions for the atoms in homogenous crystalline solids result in plane wave modulated velocity fields for the normal modes of vibration. However, when a system lacks periodicity, either compositional or structural, the normal modes of vibration can still be determined, but the solutions take on different characters and many modes may be non-plane wave modulated. Previous work has classified the types of vibrations into three primary categories, namely propagons, diffusons and locons. Localized modes can be distinguished by calculation of participation ratio while distinguishing between propagons and diffusons is challenging because both are spatially delocalized. We present a new method that quantifies the extent to which a mode's character corresponds to a propagating mode, e.g., with a plane wave modulation. This then allows for clear and quantitative distinctions between propagons and diffusons. By resolving this issue quantitatively, one can now automate the classification of modes for any arbitrary structure subject to a single constraint that the atoms must vibrate stably around their respective equilibrium sites.

  17. Active control of panel vibrations induced by boundary-layer flow

    NASA Technical Reports Server (NTRS)

    Chow, Pao-Liu

    1991-01-01

    Some problems in active control of panel vibration excited by a boundary layer flow over a flat plate are studied. In the first phase of the study, the optimal control problem of vibrating elastic panel induced by a fluid dynamical loading was studied. For a simply supported rectangular plate, the vibration control problem can be analyzed by a modal analysis. The control objective is to minimize the total cost functional, which is the sum of a vibrational energy and the control cost. By means of the modal expansion, the dynamical equation for the plate and the cost functional are reduced to a system of ordinary differential equations and the cost functions for the modes. For the linear elastic plate, the modes become uncoupled. The control of each modal amplitude reduces to the so-called linear regulator problem in control theory. Such problems can then be solved by the method of adjoint state. The optimality system of equations was solved numerically by a shooting method. The results are summarized.

  18. Thin Rotary and Linear Ultrasonic Motors Using a Double-Mode Piezoelectric Vibrator of the First Longitudinal and Second Bending Modes

    NASA Astrophysics Data System (ADS)

    Tomikawa, Yoshiro; Takano, Takehiro; Umeda, Hidenobu

    1992-09-01

    This paper deals with thin rotary and linear ultrasonic motors using a double-mode piezoelectric ceramic vibrator; a rectangular plate vibrator of the first longitudinal and second bending modes is utilized. A specific merit of the motors is that their thickness can meet the restriction of 10 mm, which is one of the practical requirements of a light load gearless motor. The rotary motor is intended for application in card forwarding, and the linear motor, in magnetic-head traveling and so on. Construction and characteristics of the motors are described herein.

  19. Normal mode analysis of Pyrococcus furiosus rubredoxin via nuclear resonance vibrational spectroscopy (NRVS) and resonance raman spectroscopy.

    PubMed

    Xiao, Yuming; Wang, Hongxin; George, Simon J; Smith, Matt C; Adams, Michael W W; Jenney, Francis E; Sturhahn, Wolfgang; Alp, Ercan E; Zhao, Jiyong; Yoda, Y; Dey, Abishek; Solomon, Edward I; Cramer, Stephen P

    2005-10-26

    We have used (57)Fe nuclear resonance vibrational spectroscopy (NRVS) to study the Fe(S(cys))(4) site in reduced and oxidized rubredoxin (Rd) from Pyrococcus furiosus (Pf). The oxidized form has also been investigated by resonance Raman spectroscopy. In the oxidized Rd NRVS, strong asymmetric Fe-S stretching modes are observed between 355 and 375 cm(-1); upon reduction these modes shift to 300-320 cm(-1). This is the first observation of Fe-S stretching modes in a reduced Rd. The peak in S-Fe-S bend mode intensity is at approximately 150 cm(-1) for the oxidized protein and only slightly lower in the reduced case. A third band occurs near 70 cm(-1) for both samples; this is assigned primarily as a collective motion of entire cysteine residues with respect to the central Fe. The (57)Fe partial vibrational density of states (PVDOS) were interpreted by normal mode analysis with optimization of Urey-Bradley force fields. The three main bands were qualitatively reproduced using a D(2)(d) Fe(SC)(4) model. A C(1) Fe(SCC)(4) model based on crystallographic coordinates was then used to simulate the splitting of the asymmetric stretching band into at least 3 components. Finally, a model employing complete cysteines and 2 additional neighboring atoms was used to reproduce the detailed structure of the PVDOS in the Fe-S stretch region. These results confirm the delocalization of the dynamic properties of the redox-active Fe site. Depending on the molecular model employed, the force constant K(Fe-S) for Fe-S stretching modes ranged from 1.24 to 1.32 mdyn/A. K(Fe-S) is clearly diminished in reduced Rd; values from approximately 0.89 to 1.00 mdyn/A were derived from different models. In contrast, in the final models the force constants for S-Fe-S bending motion, H(S-Fe-S), were 0.18 mdyn/A for oxidized Rd and 0.15 mdyn/A for reduced Rd. The NRVS technique demonstrates great promise for the observation and quantitative interpretation of the dynamical properties of Fe-S proteins.

  20. Muscle motion and EMG activity in vibration treatment.

    PubMed

    Fratini, Antonio; La Gatta, Antonio; Bifulco, Paolo; Romano, Maria; Cesarelli, Mario

    2009-11-01

    The aim of this study is to highlight the relationship between muscle motion, generated by whole body vibration, and the correspondent electromyographic (EMG) activity and to suggest a new method to customize the stimulation frequency. Simultaneous recordings of EMG and tri-axial accelerations of quadriceps rectus femoris from fifteen subjects undergoing vibration treatments were collected. Vibrations were delivered via a sinusoidal oscillating platform at different frequencies (10-45 Hz). Muscle motion was estimated by processing the accelerometer data. Large EMG motion artifacts were removed using sharp notch filters centred at the vibration frequency and its superior harmonics. EMG-RMS values were computed and analyzed before and after artifact suppression to assess muscular activity. Muscles acceleration amplitude increased with frequency. Muscle displacements revealed a mechanical resonant-like behaviour of the muscle. Resonance frequencies and dumping factors depended on subject. Moreover, RMS of artifact-free EMG was found well correlated (R(2)=0.82) to the actual muscle displacement, while the maximum of the EMG response was found related to the mechanical resonance frequency of muscle. Results showed that maximum muscular activity was found in correspondence to the mechanical resonance of the muscle itself. Assuming the hypothesis that muscle activation is proportional to muscle displacement, treatment optimization (i.e. to choose the best stimulation frequency) could be obtained by simply monitoring local acceleration (resonance), leading to a more effective muscle stimulation. Motion artifact produced an overestimation of muscle activity, therefore its removal was essential.

  1. Spectroscopic and theoretical study of the charge transfer interaction effect on the vibrational modes and nonlinear optical properties in L-asparaginium nitrate crystal

    NASA Astrophysics Data System (ADS)

    Elleuch, Nabil; Abid, Younes; Feki, Habib

    2016-09-01

    Single crystals of L-asparaginium nitrate (LAsnN) were grown by slow evaporation technique. To confirm the crystalline nature of the obtained compound, samples were the subject of an XRPD. The density functional theory (DFT) computations were carried out at B3LYP/6-31G (d) level to reach the optimized geometry, the vibrational spectra and the NLO properties. The excellent agreement between simulated and observed vibrational spectra led to a reliable vibrational assignment. To demonstrate the various charge transfer interactions that stabilize the compound and led to the high nonlinear optical activity, NBO analysis was performed. Also, owing to the hydrogen bond formation, a lowering in the HOMO-LUMO energy gap is noticed. Moreover, as a result of the charge transfer interactions, the symmetry of the nitrate ions was lost and some forbidden modes were excited.

  2. Normal Modes Expose Active Sites in Enzymes

    PubMed Central

    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

  3. Vibrational relaxation of the bending mode of shock-heated CO2 by laser-absorption measurements.

    NASA Technical Reports Server (NTRS)

    Eckstrom, D. J.; Bershader, D.

    1972-01-01

    Study of the vibrational relaxation characteristics of shock-heated CO2 using a tuned CO2 laser absorption technique. Absorption-coefficient histories were obtained for a single rotational state in each of the -10 0- and -02 0- levels over the temperature range from 500 to 2000 K, and for 21 rotational states of the -10 0- level at 1000 K. These histories have been combined with translational-rotational temperature histories based on interferometer measurements to calculate vibrational relaxation times for the bending mode. The results verify the mutual equilibrium of the bending and symmetric-stretch modes due to Fermi resonance. The bending mode relaxation times are approximately 10% shorter than predicted from interferometer results using the ratio of specific heats. Furthermore, relaxation times based on measurements of different rotational states at 1000 K show a variation with quantum number J, indicating a possible rotational nonequilibrium during the vibration relaxation process.

  4. Active vibration control for flexible rotor by optimal direct-output feedback control

    NASA Technical Reports Server (NTRS)

    Nonami, Kenzou; Dirusso, Eliseo; Fleming, David P.

    1989-01-01

    Experimental research tests were performed to actively control the rotor vibrations of a flexible rotor mounted on flexible bearing supports. The active control method used in the tests is called optimal direct-output feedback control. This method uses four electrodynamic actuators to apply control forces directly to the bearing housings in order to achieve effective vibration control of the rotor. The force actuators are controlled by an analog controller that accepts rotor displacement as input. The controller is programmed with experimentally determined feedback coefficients; the output is a control signal to the force actuators. The tests showed that this active control method reduced the rotor resonance peaks due to unbalance from approximately 250 micrometers down to approximately 25 micrometers (essentially runout level). The tests were conducted over a speed range from 0 to 10,000 rpm; the rotor system had nine critical speeds within this speed range. The method was effective in significantly reducing the rotor vibration for all of the vibration modes and critical speeds.

  5. Improving the vibration suppression capabilities of a magneto-rheological damper using hybrid active and semi-active control

    NASA Astrophysics Data System (ADS)

    Ullah Khan, Irfan; Wagg, David; Sims, Neil D.

    2016-08-01

    This paper presents a new hybrid active and semi-active control method for vibration suppression in flexible structures. The method uses a combination of a semi-active device and an active control actuator situated elsewhere in the structure to suppress vibrations. The key novelty is to use the hybrid controller to enable the magneto-rheological damper to achieve a performance as close to a fully active device as possible. This is achieved by ensuring that the active actuator can assist the magneto-rheological damper in the regions where energy is required. In addition, the hybrid active and semi-active controller is designed to minimize the switching of the semi-active controller. The control framework used is the immersion and invariance control technique in combination with sliding mode control. A two degree-of-freedom system with lightly damped resonances is used as an example system. Both numerical and experimental results are generated for this system, and then compared as part of a validation study. The experimental system uses hardware-in-the-loop to simulate the effect of both the degrees-of-freedom. The results show that the concept is viable both numerically and experimentally, and improved vibration suppression results can be obtained for the magneto-rheological damper that approach the performance of an active device.

  6. Six degree of freedom active vibration damping for space application

    NASA Technical Reports Server (NTRS)

    Haynes, Leonard S.

    1993-01-01

    Work performed during the period 1 Jan. - 31 Mar. 1993 on six degree of freedom active vibration damping for space application is presented. A performance and cost report is included. Topics covered include: actuator testing; mechanical amplifier design; and neural network control system development and experimental evaluation.

  7. Computational modeling of the size effects on the optical vibrational modes of H-terminated Ge nanostructures.

    PubMed

    Trejo, Alejandro; Cruz-Irisson, Miguel

    2013-04-22

    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.

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

    SciTech Connect

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

    2010-06-15

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

  9. Vibrational energy relaxation of isotopically labeled amide I modes in cytochrome c: theoretical investigation of vibrational energy relaxation rates and pathways.

    PubMed

    Fujisaki, Hiroshi; Straub, John E

    2007-10-18

    With use of a time-dependent perturbation theory, vibrational energy relaxation (VER) of isotopically labeled amide I modes in cytochrome c solvated with water is investigated. Contributions to the VER are decomposed into two contributions from the protein and water. The VER pathways are visualized by using radial and angular excitation functions for resonant normal modes. Key differences of VER among different amide I modes are demonstrated, leading to a detailed picture of the spatial anisotropy of the VER. The results support the experimental observation that amide I modes in proteins relax with subpicosecond time scales, while the relaxation mechanism turns out to be sensitive to the environment of the amide I mode.

  10. Buck-boost converter for simultaneous semi-active vibration control and energy harvesting for electromagnetic regenerative shock absorber

    NASA Astrophysics Data System (ADS)

    Li, Peng; Zhang, Chongxiao; Kim, Junyoung; Yu, Liangyao; Zuo, Lei

    2014-04-01

    Regenerative semi-active suspensions can capture the previously dissipated vibration energy and convert it to usable electrical energy for powering on-board electronic devices, while achieve both the better ride comfort and improved road handling performance at the same time when certain control is applied. To achieve this objective, the power electronics interface circuit connecting the energy harvester and the electrical loads, which can perform simultaneous vibration control and energy harvesting function is in need. This paper utilized a buck-boost converter for simultaneous semi-active vibration control and energy harvesting with electromagnetic regenerative shock absorber, which utilizes a rotational generator to converter the vibration energy to electricity. It has been found that when the circuit works in discontinuous current mode (DCM), the ratio between the input voltage and current is only related to the duty cycle of the switch pulse width modulation signal. Using this property, the buck-boost converter can be used to perform semi-active vibration control by controlling the load connected between the terminals of the generator in the electromagnetic shock absorber. While performing the vibration control, the circuit always draw current from the shock absorber and the suspension remain dissipative, and the shock absorber takes no additional energy to perform the vibration control. The working principle and dynamics of the circuit has been analyzed and simulations were performed to validate the concept.

  11. Substrate independence of THz vibrational modes of polycrystalline thin films of molecular solids in waveguide THz-TDS

    NASA Astrophysics Data System (ADS)

    Harsha, S. Sree; Melinger, Joseph. S.; Qadri, S. B.; Grischkowsky, D.

    2012-01-01

    The influence of the metal substrate on the measurement of high resolution THz vibrational modes of molecular solids with the waveguide THz-TDS technique is investigated. The sample film of salicylic acid is studied using waveguide THz-TDS on three different metal substrates and two-surface passivated substrates. The independence of the observed THz vibrational modes to the metal substrate is demonstrated. Independently, surface passivation is presented as a viable experimental addition to the waveguide THz-TDS technique to aid the characterization of samples with known reactivity to metal surfaces.

  12. Vibration control through passive constrained layer damping and active control

    NASA Astrophysics Data System (ADS)

    Lam, Margaretha J.; Inman, Daniel J.; Saunders, William R.

    1997-05-01

    To add damping to systems, viscoelastic materials (VEM) are added to structures. In order to enhance the damping effects of the VEM, a constraining layer is attached. When this constraining layer is an active element, the treatment is called active constrained layer damping (ACLD). Recently, the investigation of ACLD treatments has shown it to be an effective method of vibration suppression. In this paper, the treatment of a beam with a separate active element and passive constrained layer (PCLD) element is investigated. A Ritz- Galerkin approach is used to obtain discretized equations of motion. The damping is modeled using the GHM method and the system is analyzed in the time domain. By optimizing on the performance and control effort for both the active and passive case, it is shown that this treatment is capable of lower control effort with more inherent damping, and is therefore a better approach to damp vibration.

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

    PubMed

    Zhang, Feng; Hayashi, Michitoshi; Wang, Houng-Wei; Tominaga, Keisuke; Kambara, Ohki; Nishizawa, Jun-ichi; Sasaki, Tetsuo

    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(*) 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(*) 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(*) data show excellent agreement with the experimental data in terms of IS and CFS in region II; however, PBE-D(*) 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(*).

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

    NASA Astrophysics Data System (ADS)

    Zhang, Feng; Hayashi, Michitoshi; Wang, Houng-Wei; Tominaga, Keisuke; Kambara, Ohki; Nishizawa, Jun-ichi; Sasaki, Tetsuo

    2014-05-01

    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* 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* 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* data show excellent agreement with the experimental data in terms of IS and CFS in region II; however, PBE-D* 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*.

  15. Nonplanar tertiary amides in rigid chiral tricyclic dilactams. Peptide group distortions and vibrational optical activity.

    PubMed

    Pazderková, Markéta; Profant, Václav; Hodačová, Jana; Sebestík, Jaroslav; Pazderka, Tomáš; Novotná, Pavlína; Urbanová, Marie; Safařík, Martin; Buděšínský, Miloš; Tichý, Miloš; Bednárová, Lucie; Baumruk, Vladimír; Maloň, Petr

    2013-08-22

    We investigate amide nonplanarity in vibrational optical activity (VOA) spectra of tricyclic spirodilactams 5,8-diazatricyclo[6,3,0,0(1,5)]undecan-4,9-dione (I) and its 6,6',7,7'-tetradeuterio derivative (II). These rigid molecules constrain amide groups to nonplanar geometries with twisted pyramidal arrangements of bonds to amide nitrogen atoms. We have collected a full range vibrational circular dichroism (VCD) and Raman optical activity (ROA) spectra including signals of C-H and C-D stretching vibrations. We report normal-mode analysis and a comparison of calculated to experimental VCD and ROA. The data provide band-to-band assignment and offer a possibility to evaluate roles of constrained nonplanar tertiary amide groups and rigid chiral skeletons. Nonplanarity shows as single-signed VCD and ROA amide I signals, prevailing the couplets expected to arise from the amide-amide interaction. Amide-amide coupling dominates amide II (mainly C'-N stretching, modified in tertiary amides by the absence of a N-H bond) transitions (strong couplet in VCD, no significant ROA) probably due to the close proximity of amide nitrogen atoms. At lower wavenumbers, ROA spectra exhibit another likely manifestation of amide nonplanarity, showing signals of amide V (δ(oop)(N-C) at ~570 cm(-1)) and amide VI (δ(oop)(C'═O) at ~700 cm(-1) and ~650 cm(-1)) vibrations.

  16. Nonlinear vibrations and energy exchange of single-walled carbon nanotubes. Circumferential flexural modes

    NASA Astrophysics Data System (ADS)

    Strozzi, Matteo; Smirnov, Valeri V.; Manevitch, Leonid I.; Milani, Massimo; Pellicano, Francesco

    2016-10-01

    In this paper, the nonlinear vibrations and energy exchange of single-walled carbon nanotubes (SWNTs) are studied. The Sanders-Koiter theory is applied to model the nonlinear dynamics of the system in the case of finite amplitude of vibration. The SWNT deformation is described in terms of longitudinal, circumferential and radial displacement fields. Simply supported, clamped and free boundary conditions are considered. The circumferential flexural modes (CFMs) are investigated. Two different approaches based on numerical and analytical models are compared. In the numerical model, an energy method based on the Lagrange equations is used to reduce the nonlinear partial differential equations of motion to a set of nonlinear ordinary differential equations, which is solved by using the implicit Runge-Kutta numerical method. In the analytical model, a reduced form of the Sanders-Koiter theory assuming small circumferential and tangential shear deformations is used to get the nonlinear ordinary differential equations of motion, which are solved by using the multiple scales analytical method. The transition from energy beating to energy localization in the nonlinear field is studied. The effect of the aspect ratio on the analytical and numerical values of the nonlinear energy localization threshold for different boundary conditions is investigated. Time evolution of the total energy distribution along the axis of a simply supported SWNT

  17. PICVib: an accurate, fast and simple procedure to investigate selected vibrational modes and evaluate infrared intensities.

    PubMed

    dos Santos, Marcus V P; Proenza, Yaicel G; Longo, Ricardo L

    2014-09-07

    The generalization of the PICVib approach [M. V. P. dos Santos et al., J. Comput. Chem., 2013, 34, 611] for calculating infrared intensities is shown to be successful and to preserve all interesting features of the procedure such as easiness of implementation and parallelization, flexibility, treatment of large systems and at high theoretical levels. It was tested and validated for very diverse molecular systems: XH3 (D3h), YH4 (D4h), conformers of RDX, S(N)2 and E2 reaction product complexes, the [W(dppe)2(NNC5H10)] complex, carbon nanotubes, and hydrogen-bonded complexes (H2O···HOH, MeHO···HOH, MeOH···OH2, MeOH···OHMe) including the guanine-cytosine pair. The PICVib shows an excellent overall performance for calculating infrared intensities of localized normal modes and even mixed vibrations, whereas care must be taken for vibrations involving intermolecular interactions. DFT functionals are still the best combination with high level ab initio methods such as CCSD and CCSD(T).

  18. Normal vibrational modes of phospholipid bilayers observed by low-frequency Raman scattering

    NASA Astrophysics Data System (ADS)

    Surovtsev, N. V.; Dmitriev, A. A.; Dzuba, S. A.

    2017-03-01

    Low-frequency Raman spectra of multilamellar vesicles made either of 1-palmitoyl-2-oleoyl-s n -glycero-3-phosphocholine (POPC) or 1,2-dipalmitoyl-s n -glycero-3-phosphocholine (DPPC) have been studied in a wide temperature range. Below 0 ∘C two peaks are found at frequencies around 8-9 and 14 -17 c m -1 and attributed to the normal vibrational modes of the phospholipid bilayer, which are determined by the bilayer thickness and stiffness (elastic modulus). The spectral positions of the peaks depend on the temperature and the bilayer composition. It is suggested that the ratio of the intensities of the first and second peaks can serve as a measure of the interleaflet elastic coupling. The addition of cholesterol to the phospholipid bilayer leads to peak shift and broadening, which may be assigned to the composition heterogeneities commonly attributed to the lipid raft formation.

  19. High resolution measurement of the carbon localized vibrational mode in gallium arsenide

    SciTech Connect

    Nagai, Naoto

    2001-06-15

    The localized vibrational mode of carbon substituted at arsenic sites in gallium arsenide (GaAs) was measured with infrared absorption spectroscopy at 0.005 cm{sup {minus}1} resolution. Well-resolved fine structures were observed, yielding quantitative information on the line half widths and intensities. The relative intensities of the isotope lines are well fitted to a probability factor calculation using a natural abundance of 55.3% {sup 69}Ga. One explanation considered is that the dipole moment due to the relative displacement of carbon with respect to the gallium atoms has a tendency to be larger when the neighboring gallium atoms are heavier ({sup 71}Ga). {copyright} 2001 American Institute of Physics.

  20. Decoherence of trapped-ion internal and vibrational modes: The effect of fluctuating magnetic fields

    NASA Astrophysics Data System (ADS)

    Brouard, S.; Plata, J.

    2004-07-01

    The effect of ambient magnetic fields on the dynamics of a single trapped ion is studied analytically. We consider two electronic states with energy separation stochastically varied by magnetic-field perturbations and coupled to the vibrational modes by a laser. For Gaussian white noise, a master equation is derived and solved. The results obtained reveal how the effective Rabi frequencies and the decay rates depend on the noise strength and on the number state index. The detection of features specific to magnetic-field noise in the evolution of states that can be prepared under standard experimental conditions is discussed. A comparison with the effects of laser intensity and phase fluctuations is presented. Implications for the realization of logic gates are analyzed.

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

    NASA Astrophysics Data System (ADS)

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

    2015-07-01

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

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

    PubMed

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

    2015-12-01

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

  3. Microgravity Active Vibration Isolation System on Parabolic Flights

    NASA Astrophysics Data System (ADS)

    Dong, Wenbo; Pletser, Vladimir; Yang, Yang

    2016-07-01

    The Microgravity Active Vibration Isolation System (MAIS) aims at reducing on-orbit vibrations, providing a better controlled lower gravity environment for microgravity physical science experiments. The MAIS will be launched on Tianzhou-1, the first cargo ship of the China Manned Space Program. The principle of the MAIS is to suspend with electro-magnetic actuators a scientific payload, isolating it from the vibrating stator. The MAIS's vibration isolation capability is frequency-dependent and a decrease of vibration of about 40dB can be attained. The MAIS can accommodate 20kg of scientific payload or sample unit, and provide 30W of power and 1Mbps of data transmission. The MAIS is developed to support microgravity scientific experiments on manned platforms in low earth orbit, in order to meet the scientific requirements for fluid physics, materials science, and fundamental physics investigations, which usually need a very quiet environment, increasing their chances of success and their scientific outcomes. The results of scientific experiments and technology tests obtained with the MAIS will be used to improve future space based research. As the suspension force acting on the payload is very small, the MAIS can only be operative and tested in a weightless environment. The 'Deutsches Zentrum für Luft- und Raumfahrt e.V.' (DLR, German Aerospace Centre) granted a flight opportunity to the MAIS experiment to be tested during its 27th parabolic flight campaign of September 2015 performed on the A310 ZERO-G aircraft managed by the French company Novespace, a subsidiary of the 'Centre National d'Etudes Spatiales' (CNES, French Space Agency). The experiment results confirmed that the 6 degrees of freedom motion control technique was effective, and that the vibration isolation performance fulfilled perfectly the expectations based on theoretical analyses and simulations. This paper will present the design of the MAIS and the experiment results obtained during the

  4. Influence of local vibration on plasma creatine phosphokinase (CPK) activity.

    PubMed Central

    Okada, A; Okuda, H; Inaba, R; Ariizumi, M

    1985-01-01

    This study was designed to obtain basic information about the mechanism of the occurrence of muscular disorders after exposure to vibration. The hind legs of rats were exposed to acute and chronic local vibration at frequencies of 30, 60, 120, 240, 480, and 960 Hz with a constant acceleration of 50 m/sec2. The exposure time was four hours for acute, and four hours a day for two weeks continuously for chronic exposure. Blood was collected after exposure to measure plasma creatine phosphokinase (CPK) activity. In both exposure groups the activity of plasma CPK was significantly higher at 30, 60, 120, 240, and 480 Hz compared with the control group and was especially high at 30 Hz; there was no significant change at 960 Hz. As a result of an analysis of the CPK isoenzymes, the increase in plasma CPK activity was shown to be due to the activity of the plasma CPK-MM fraction, originating in the skeletal muscle. Plasma CPK activity showed a tendency to decrease gradually with the increase in vibration frequency during acute exposure but showed no such tendency during chronic exposure. There was no remarkable pathohistological change in muscle preparations from the hind legs, hence it was presumed that the increase in plasma CPK activity was caused not by the morphological changes of muscle but by other mechanisms, such as an increase in the permeability of the cell membrane. Images PMID:4041385

  5. Neuroreceptor Activation by Vibration-Assisted Tunneling

    PubMed Central

    Hoehn, Ross D.; Nichols, David; Neven, Hartmut; Kais, Sabre

    2015-01-01

    G protein-coupled receptors (GPCRs) constitute a large family of receptor proteins that sense molecular signals on the exterior of a cell and activate signal transduction pathways within the cell. Modeling how an agonist activates such a receptor is fundamental for an understanding of a wide variety of physiological processes and it is of tremendous value for pharmacology and drug design. Inelastic electron tunneling spectroscopy (IETS) has been proposed as a model for the mechanism by which olfactory GPCRs are activated by a bound agonist. We apply this hyothesis to GPCRs within the mammalian nervous system using quantum chemical modeling. We found that non-endogenous agonists of the serotonin receptor share a particular IET spectral aspect both amongst each other and with the serotonin molecule: a peak whose intensity scales with the known agonist potencies. We propose an experiential validation of this model by utilizing lysergic acid dimethylamide (DAM-57), an ergot derivative, and its deuterated isotopologues; we also provide theoretical predictions for comparison to experiment. If validated our theory may provide new avenues for guided drug design and elevate methods of in silico potency/activity prediction. PMID:25909758

  6. Investigation of the terahertz vibrational modes of ZIF-8 and ZIF-90 with terahertz time-domain spectroscopy.

    PubMed

    Tan, Nicholas Y; Ruggiero, Michael T; Orellana-Tavra, Claudia; Tian, Tian; Bond, Andrew D; Korter, Timothy M; Fairen-Jimenez, David; Zeitler, J Axel

    2015-11-18

    We present experimental and computational evidence that gate-opening modes for zeolitic imidazole frameworks can be observed at terahertz frequencies. Our work highlights the critical importance to correctly optimise the crystal structure prior to computational lattice dynamics analysis. The results support the hypothesis that the low energy vibrational modes do indeed play a significant role in host-guest interactions for ZIFs, such as gas loading.

  7. Active vibration control in microgravity environment

    NASA Technical Reports Server (NTRS)

    Gerhold, Carl H.

    1987-01-01

    The low gravity environment of the space station is suitable for experiments or manufacturing processes which require near zero gravity. An experiment was fabricated to test the validity of the active control process and to verify the flow and control parameters identified in a theoretical model. Zero gravity is approximated in the horizontal plane using a low friction air bearing table. An analog control system was designed to activate calibrated air jets when displacement of the test mass is sensed. The experiment demonstrates that an air jet control system introduces an effective damping factor to control oscillatory response. The amount of damping as well as the flow parameters, such as pressure drop across the valve and flow rate of air, are verified by the analytical model.

  8. Real-time monitoring of vibration fringe patterns by optical reconstruction of digital holograms: mode beating detection.

    PubMed

    Demoli, Nazif

    2006-03-20

    A new technique capable of monitoring two-dimensional vibration fringe patterns in real-time is presented. It is based on optical reconstructing of time-averaged digital holograms. Recording of the holograms is realized in a quasi-Fourier off-axis setup whilst reconstructing in an extended Fourier transform setup capable of spatial filtering of the hologram reconstructions. The effectiveness of the proposed device, tested on a silicon wafer, was verified by performing operations such as monitoring of vibration modes, adjusting the hologram recording parameters, or searching for resonant frequencies. Additionally, mode beating between two distant vibration frequencies is observed and reported. The proposed technique is suitable for various scientific and industrial applications.

  9. Active member vibration control experiment in a KC-135 reduced gravity environment

    NASA Technical Reports Server (NTRS)

    Lawrence, C. R.; Lurie, B. J.; Chen, G.-S.; Swanson, A. D.

    1991-01-01

    An active member vibration control experiment in a KC-135 reduced gravity environment was carried out by the Air Force Flight Dynamics Laboratory and the Jet Propulsion Laboratory. Two active members, consisting of piezoelectric actuators, displacement sensors, and load cells, were incorporated into a 12-meter, 104 kg box-type test structure. The active member control design involved the use of bridge (compound) feedback concept, in which the collocated force and velocity signals are feedback locally. An impact-type test was designed to accommodate the extremely short duration of the reduced gravity testing window in each parabolic flight. The moving block analysis technique was used to estimate the modal frequencies and dampings from the free-decay responses. A broadband damping performance was demonstrated up to the ninth mode of 40 Hz. The best damping performance achieved in the flight test was about 5 percent in the fourth mode of the test structure.

  10. Modeling Stretching Modes of Common Organic Molecules with the Quantum Mechanical Harmonic Oscillator: An Undergraduate Vibrational Spectroscopy Laboratory Exercise

    ERIC Educational Resources Information Center

    Parnis, J. Mark; Thompson, Matthew G. K.

    2004-01-01

    An introductory undergraduate physical organic chemistry exercise that introduces the harmonic oscillator's use in vibrational spectroscopy is developed. The analysis and modeling exercise begins with the students calculating the stretching modes of common organic molecules with the help of the quantum mechanical harmonic oscillator (QMHO) model.

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

    PubMed

    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.

  12. Jahn-Teller effect in CH2DO∕CHD2O(X̃(2)E): vibronic coupling of all vibrational modes.

    PubMed

    Shao, Zhuo; Mo, Yuxiang

    2013-06-28

    For the Jahn-Teller active methoxy radical CH3O∕CD3O(X̃(2)E), only the degenerate vibrational modes break the C3v geometric symmetry. For the isotopologues CH2DO∕CHD2O, all their normal vibrational motions break the C3v geometric symmetry, which results in a splitting of the adiabatic potential energy surfaces (APESs), that is, all vibrational modes are Jahn-Teller active. Therefore, each fundamental vibrational energy level of CH2DO∕CHD2O splits into two levels due to a combination of Jahn-Teller and spin-orbit interactions. In this work we report an ab initio calculation of the spin-vibronic energy levels of CH3O∕CH2DO∕CHD2O∕CD3O using a diabatic model. The APESs were calculated at the UCCSD(T)-F12a∕cc-pVQ(T)Z-F12a level. The vibronic parameters in the diabatic model Hamiltonian of CD3O were first determined using the least-squares fitting to the APESs. The vibronic parameters of the other three isotopologues were derived from those of CD3O using the Duschinsky rotation method. The calculated spin-vibronic energy splittings for the vibrational ground states of CH3O∕CH2DO∕CHD2O∕CD3O are 61.8∕73.5∕70.2∕54.5 cm(-1), respectively, in good agreement with the reported experimental results.

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

    PubMed

    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.

  14. Semi-modal active vibration control of plates using discrete piezoelectric modal filters

    NASA Astrophysics Data System (ADS)

    Trindade, Marcelo A.; Pagani, Carlos C.; Oliveira, Leopoldo P. R.

    2015-09-01

    Modal sensors and actuators working in closed loop enable to observe and control independently specific vibration modes, reducing the apparent dynamical complexity of the system and the necessary energy to control them. Modal sensors may be obtained by a properly designed weighted sum of the output signals of an array of sensors distributed on the host structure. Although some works found in the literature present techniques for designing and implementing modal filters based on a given array of sensors, the effect of the sensors' distribution on the modal filter performance has received little attention. Recent studies have shown that some parameters, such as size, shape and location of the sensors, are very important for the performance of the resulting modal filters. This work presents a methodology for the design of semi-modal active vibration control of a rectangular plate using modal filters based on arrays of piezoelectric sensors. The geometric distribution of the array of piezoelectric sensors bonded to a rectangular plate is numerically optimized to improve the effectiveness and frequency range of a set of modal filters. An experimental implementation of the modal filters is carried out in order to validate their performance. It is shown that proper setup of weighting coefficients is an important requirement. Then, two simple control laws, namely direct velocity feedback and positive position feedback, using the modal filter output are designed and implemented. It is shown that modal filtering allows to effectively control selected vibration modes with quite simple signal processing requirements.

  15. Probing the Raman-active acoustic vibrations of nanoparticles with extraordinary spectral resolution

    NASA Astrophysics Data System (ADS)

    Wheaton, Skyler; Gelfand, Ryan M.; Gordon, Reuven

    2015-01-01

    Colloidal quantum dots, viruses, DNA and all other nanoparticles have acoustic vibrations that can act as ‘fingerprints’ to identify their shape, size and mechanical properties, yet high-resolution Raman spectroscopy in this low-energy range has been lacking. Here, we demonstrate extraordinary acoustic Raman (EAR) spectroscopy to measure the Raman-active vibrations of single isolated nanoparticles in the 0.1-10 cm-1 range with ˜0.05 cm-1 resolution, to resolve peak splitting from material anisotropy and to probe the low-frequency modes of biomolecules. EAR employs a nanoaperture laser tweezer that can select particles of interest and manipulate them once identified. We therefore believe that this nanotechnology will enable expanded capabilities for the study of nanoparticles in the materials and life sciences.

  16. Actively Controlled Landing Gear for Aircraft Vibration Reduction

    NASA Technical Reports Server (NTRS)

    Horta, Lucas G.; Daugherty, Robert H.; Martinson, Veloria J.

    1999-01-01

    Concepts for long-range air travel are characterized by airframe designs with long, slender, relatively flexible fuselages. One aspect often overlooked is ground induced vibration of these aircraft. This paper presents an analytical and experimental study of reducing ground-induced aircraft vibration loads using actively controlled landing gears. A facility has been developed to test various active landing gear control concepts and their performance. The facility uses a NAVY A6-intruder landing gear fitted with an auxiliary hydraulic supply electronically controlled by servo valves. An analytical model of the gear is presented including modifications to actuate the gear externally and test data is used to validate the model. The control design is described and closed-loop test and analysis comparisons are presented.

  17. Piezoelectric pushers for active vibration control of rotating machinery

    NASA Technical Reports Server (NTRS)

    Palazzolo, A. B.; Kascak, A. F.; Lin, R. R.; Montague, J.; Alexander, R. M.

    1989-01-01

    The active control of rotordynamic vibrations and stability by magnetic bearings and electromagnetic shakers was discussed extensively in the literature. These devices, though effective, are usually large in volume and add significant weight to the stator. The use of piezoelectric pushers may provide similar degrees of effectiveness in light, compact packages. Analyses are contained which extend quadratic regulator, pole placement and derivative feedback control methods to the prescribed displacement character of piezoelectric pushers. The structural stiffness of the pusher is also included in the theory. Tests are currently being conducted at NASA Lewis Research Center with piezoelectric pusher-based active vibration control. Results performed on the NASA test rig as preliminary verification of the related theory are presented.

  18. INFRARED AND RAMAN VIBRATIONAL OPTICAL ACTIVITY: Theoretical and Experimental Aspects

    NASA Astrophysics Data System (ADS)

    Nafie, Laurence A.

    1997-10-01

    Advances in the field of vibrational optical activity (VOA) are reviewed over the past decade. Topics are surveyed with an emphasis on the theoretical and instrumental progress in both vibrational circular dichroism (VCD) and Raman optical activity (ROA). Applications of VOA to stereochemical and biological problems are reviewed, with a bias toward new kinds of experiments made possible by theoretical and instrumental advances. In the field of VCD, the most notable advances have taken place in the quality and size of ab initio calculations of VOA intensities and in the quality of step-scan Fourier transform instrumentation. For ROA, the most dramatic progress has occurred in the areas of theoretical formulation and high-throughput instrumentation. Applications of VOA now include all major classes of biological and pharmaceutical molecules. VOA's importance as a diagnostic tool will likely grow as the control of molecular chirality increases in research and industrial areas.

  19. An Overview of Recent Automotive Applications of Active Vibration Control

    DTIC Science & Technology

    2004-10-01

    coordinates of the deepest point. The control signal is generated as the output of the adaptive filter. 3.2 Disturbance Observer Approach This...sign reversal, as a control signal u. To generate the estimate, a disturbance observer is used. The observer is designed off-line assuming time...2003. Disturbance - observer -based active control of engine-induced vibrations in automotive vehicles. Proceedings of the 10th Annual International

  20. Active vibration control techniques for flexible space structures

    NASA Technical Reports Server (NTRS)

    Parlos, Alexander G.; Jayasuriya, Suhada

    1990-01-01

    Two proposed control system design techniques for active vibration control in flexible space structures are detailed. Control issues relevant only to flexible-body dynamics are addressed, whereas no attempt was made to integrate the flexible and rigid-body spacecraft dynamics. Both of the proposed approaches revealed encouraging results; however, further investigation of the interaction of the flexible and rigid-body dynamics is warranted.

  1. Active Vibration Suppression R and D for the NLC

    SciTech Connect

    Frisch, Josef C

    2001-12-17

    The nanometer scale beam sizes at the interaction point in linear colliders limit the allowable motion of the final focus magnets. We have constructed a prototype system to investigate the use of active vibration damping to control magnet motion. Inertial sensors are used to measure the position of a test mass, and a DSP based system provides feedback using electrostatic pushers. Simulation and experimental results for the control of a mechanically simple system are presented.

  2. ACTIVE VIBRATION SUPPRESSION R+D FOR THE NEXT LINEARCOLLIDER

    SciTech Connect

    Eriksson, Leif S.

    2002-08-20

    The nanometer scale beam sizes at the interaction point in linear colliders limit the allowable motion of the final focus magnets. We have constructed a prototype system to investigate the use of active vibration damping to control magnet motion. Inertial sensors are used to measure the position of a test mass, and a DSP based system provides feedback using electrostatic pushers. Simulation and experimental results for the control of a mechanically simple system are presented.

  3. System and method of active vibration control for an electro-mechanically cooled device

    DOEpatents

    Lavietes, Anthony D.; Mauger, Joseph; Anderson, Eric H.

    2000-01-01

    A system and method of active vibration control of an electro-mechanically cooled device is disclosed. A cryogenic cooling system is located within an environment. The cooling system is characterized by a vibration transfer function, which requires vibration transfer function coefficients. A vibration controller generates the vibration transfer function coefficients in response to various triggering events. The environments may differ by mounting apparatus, by proximity to vibration generating devices, or by temperature. The triggering event may be powering on the cooling system, reaching an operating temperature, or a reset action. A counterbalance responds to a drive signal generated by the vibration controller, based on the vibration signal and the vibration transfer function, which adjusts vibrations. The method first places a cryogenic cooling system within a first environment and then generates a first set of vibration transfer function coefficients, for a vibration transfer function of the cooling system. Next, the cryogenic cooling system is placed within a second environment and a second set of vibration transfer function coefficients are generated. Then, a counterbalance is driven, based on the vibration transfer function, to reduce vibrations received by a vibration sensitive element.

  4. [Actuator placement for active sound and vibration control

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Two refereed journal publications and ten talks given at conferences, seminars, and colloquia resulted from research supported by NASA. They are itemized in this report. The two publications were entitled "Reactive Tabu and Search Sensor Selection in Active Structural Acoustic Control Problems" and "Quelling Cabin Noise in Turboprop Aircraft via Active Control." The conference presentations covered various aspects of actuator placement, including location problems, for active sound and vibration control of cylinders, of commuter jets, of propeller driven or turboprop aircraft, and for quelling aircraft cabin or interior noise.

  5. Vibrational modes of hydrogens in the proton ordered phase XI of ice: Raman spectra above 400 cm(-1).

    PubMed

    Shigenari, Takeshi; Abe, Kohji

    2012-05-07

    Polarized Raman spectra of the proton ordered phase of ice Ih, i.e., ice XI, were measured above 400 cm(-1) in the range of librational, bending, and stretching vibrations. Vibrational modes in ice XI, of which symmetry is C(2v) (12)(Cmc2(1)), were discussed from the group theoretical point of view. In the librational mode spectra below 1200 cm(-1), several new peaks and clear polarization dependencies were observed. Assignments of the librational modes agree reasonably well with the recent MD calculations by Iwano et al. (J. Phys. Soc. Jpn. 79, 063601 (2010)). In contrast, the spectra for bands above 1200 cm(-1) show no distinct polarization dependencies and the spectra resemble those in ice Ih. In ice XI, however, fine structure composed of several weak peaks appear on the broad bending and the combination band. No direct evidence of the LO-TO splitting of the ν(3) anti-symmetric stretching mode was obtained. It is contrary to the case of the translational modes Abe and Shigenari (J. Chem. Phys. 134, 104506 (2011)). Present results suggest that the influence of the proton ordering in ice XI is weaker than the effect of inter- and intra-molecular couplings in the stretching vibrations of ice Ih.

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

    NASA Astrophysics Data System (ADS)

    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) modes, such as shear and layer-breathing modes have been well-established. Here, we review the layer-number dependent high-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.

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

    PubMed

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

    2011-09-02

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

  8. Active vibration control of a smart pultruded fiber-reinforced polymer I-beam

    NASA Astrophysics Data System (ADS)

    Song, G.; Qiao, P.; Sethi, V.; Prasad, A.

    2004-08-01

    Advanced and innovative materials and structures are increasingly used in civil infrastructure applications. By combining the advantages of composites and smart sensors and actuators, active or smart composite structures can be created and be efficiently adopted in practical structural applications. This paper presents results on active vibration control of pultruded fiber-reinforced polymer (FRP) composite thin-walled I-beams using smart sensors and actuators. The FRP I-beams are made of E-glass fibers and polyester resins. The FRP I-beam is in a cantilevered configuration. The PZT (lead zirconate titanate) type of piezoelectric ceramic patches are used as smart sensors and actuators. These patches are surface bonded near the cantilevered end of the I-beam. Utilizing results from modal analyses and experimental modal testing, several active vibration control methods, such as position feedback control, strain rate feedback control and lead compensation, are investigated. Experimental results demonstrate that the proposed methods achieve effective vibration control of FRP I-beams. For instance, the modal damping ratio of the strong direction first bending mode increases by more than 1000% with positive position feedback control.

  9. Active vibration control of a smart pultruded fiber-reinforced polymer I-beam

    NASA Astrophysics Data System (ADS)

    Song, Gangbing; Qiao, Pizhong; Sethi, Vineet; Prasad, A.

    2002-06-01

    Advanced and innovative materials and structures are increasingly used in civil infrastructure applications. By combining the advantages of composites and smart sensors and actuators, active or smart composite structures can be created and be efficiently adopted in practical structural applications. This paper presents results of active vibration control of a pultruded fiber-reinforced polymer (FRP) composites thin-walled I-beams using smart sensors and actuators. The FRP I-beams are made of E-glass fibers and polyester resins. The FRP I-beam is in a cantilevered configuration. PZT (Lead zirconate titanate) type of piezoelectric ceramic patches are used as smart sensors and actuators. These patches are surface-bonded near the cantilevered end of the I-beam. Utilizing results from modal analyses and experimental modal testing, several active vibration control methods, such as position feedback control, strain rate feedback control and lead compensator, are investigated. Experimental results demonstrate that the proposed methods achieve effective vibration control of FRP I-beams. For instance, the modal damping ratio of the strong direction first bending mode increases by more than 1000 percent with a positive position feedback control.

  10. a Hybrid-Type Active Vibration Isolation System Using Neural Networks

    NASA Astrophysics Data System (ADS)

    Ahn, K. G.; Pahk, H. J.; Jung, M. Y.; Cho, D. W.

    1996-05-01

    Vibration isolation of mechanical systems is achieved through either passive or active vibration control systems. Although a passive vibration isolation system offers simple and reliable means to protect mechanical systems from a vibration environment, it has inherent performance limitations, that is, its controllable frequency range is limited and the shape of its transmissibility does not change. Recently, in some applications, such as active suspensions or precise vibration systems, active vibration isolation systems have been employed to overcome the limitations of the passive systems. In this paper, a hybrid-type active vibration isolation system that uses electromagnetic and pneumatic force is developed, and a new control algorithm adopting neural networks is proposed. The characteristics of the hybrid system proposed in the paper were investigated via computer simulation and experiments. It was shown that the transmissibility of the vibration isolation system could be kept below 0.63 over the entire frequency range, including the resonance frequency.

  11. Experimental study on active vibration control of a gearbox system

    NASA Astrophysics Data System (ADS)

    Guan, Yuan H.; Lim, Teik C.; Steve Shepard, W.

    2005-04-01

    An active internal gearbox structure is developed and evaluated experimentally to suppress gear pair vibration due to transmission error excitation. The approach is based on an active shaft transverse vibration control concept that was theoretically analyzed in an earlier study and determined to be one of the most feasible methods. The system comprises of a piezoelectric stack actuator for applying control forces to the shaft via a rolling element-bearing, and a highly efficient, enhanced delayed-x LMS control algorithm to generate the appropriate control signals. To avoid the aliasing effects of higher frequency signals and reduce the phase delay of conventional filters, a multi-rate minimum-phase low-pass digital filter is also integrated into the controller. The experimental results yield 8-13 dB attenuation in the gearbox housing vibration levels and correspondingly 5-8 dB reduction in measured gear whine noise levels at the first and second operating gear mesh frequencies.

  12. Vibration suppression of structures with densely spaced modes using maximally robust minimum delay digital finite impulse response filters

    NASA Astrophysics Data System (ADS)

    Glossiotis, G. N.; Antoniadis, I. A.

    2007-03-01

    Due to the inherent flexibility of engineering structures, transient and residual vibrations occur when a motion command is applied, thus raising several practical restrictions concerning their fast, accurate and safe motion. Although various command-preconditioning techniques have been proposed for the effective suppression of the excited vibrations, their application has been limited only to structures with a few distinct and well-separated modes. This paper further considers the applicability of motion preconditioning methods for a large class of lightweight flexible structures, which present multiple densely spaced natural modes, existing even at relatively low frequencies. Properly designed finite impulse response (FIR) filters can lead to an effective motion preconditioning method, suppressing drastically the excited vibrations over the entire excited frequency band. Compared to other alternative preconditioning methods, such as input shapers or infinite impulse response (IIR) filters, FIR filters present the most efficient behavior in terms of vibration suppression efficiency, or in terms of the delay introduced in the motion command, as verified by numerical simulations and experimental results involving multibay trusses, with tenths of densely spaced modes in a range from 0.4 Hz up to 75 Hz.

  13. Dynamic disorder, phonon lifetimes, and the assignment of modes to the vibrational spectra of methylammonium lead halide perovskites.

    PubMed

    Leguy, Aurélien M A; Goñi, Alejandro R; Frost, Jarvist M; Skelton, Jonathan; Brivio, Federico; Rodríguez-Martínez, Xabier; Weber, Oliver J; Pallipurath, Anuradha; Alonso, M Isabel; Campoy-Quiles, Mariano; Weller, Mark T; Nelson, Jenny; Walsh, Aron; Barnes, Piers R F

    2016-10-21

    We present Raman and terahertz absorbance spectra of methylammonium lead halide single crystals (MAPbX3, X = I, Br, Cl) at temperatures between 80 and 370 K. These results show good agreement with density-functional-theory phonon calculations. Comparison of experimental spectra and calculated vibrational modes enables confident assignment of most of the vibrational features between 50 and 3500 cm(-1). Reorientation of the methylammonium cations, unlocked in their cavities at the orthorhombic-to-tetragonal phase transition, plays a key role in shaping the vibrational spectra of the different compounds. Calculations show that these dynamic effects split Raman peaks and create more structure than predicted from the independent harmonic modes. This explains the presence of extra peaks in the experimental spectra that have been a source of confusion in earlier studies. We discuss singular features, in particular the torsional vibration of the C-N axis, which is the only molecular mode that is strongly influenced by the size of the lattice. From analysis of the spectral linewidths, we find that MAPbI3 shows exceptionally short phonon lifetimes, which can be linked to low lattice thermal conductivity. We show that optical rather than acoustic phonon scattering is likely to prevail at room temperature in these materials.

  14. Interpretation of DNA vibration modes: IV--A single-helical approach to assign the phosphate-backbone contribution to the vibrational spectra in A and B conformations.

    PubMed

    Letellier, R; Ghomi, M; Taillandier, E

    1989-02-01

    A calculated approach based on the Higgs method for assigning the vibration modes of an infinite helicoidal polymeric chain has been performed on the basis of a reliable valence force field. The calculated results allowed the phosphate-backbone marker modes of the A and B forms, to be interpreted. In the dynamic models used, the bases have been omitted and no interchain interaction was considered. The calculation can also interprete quite satisfactorily the characteristic Raman peaks and infrared bands in the 1250-700 cm-1 spectral region arising from the sugar or sugar-phosphate association and reproduce their evolution upon the B----A DNA conformational transition. They clearly show that the phosphate-backbone modes in the above mentioned spectral region constitute the optical branches of the phonon dispersion curves with no detectable variation in the first Brillouin-zone.

  15. Quantum mechanical interpretation of intermolecular vibrational modes of crystalline poly-(R)-3-hydroxybutyrate observed in low-frequency Raman and terahertz spectra.

    PubMed

    Yamamoto, Shigeki; Morisawa, Yusuke; Sato, Harumi; Hoshina, Hiromichi; Ozaki, Yukihiro

    2013-02-21

    Low-frequency vibrational bands observed in the Raman and terahertz (THz) spectra in the region of 50-150 cm(-1) of crystalline powder poly-(R)-3-hydroxybutyrate (PHB) were assigned based on comparisons of the Raman and THz spectra, polarization directions of THz absorption spectra, and their congruities to quantum mechanically (QM) calculated spectra. This combination, Raman and THz spectroscopies and the QM simulations, has been rarely adopted in spite of its potential of reliable assignments of the vibrational bands. The QM simulation of a spectrum has already been popular in vibrational spectroscopies, but for low-frequency bands of polymers it is still a difficult task due to its large scales of systems and a fact that interactions among polymer chains should be considered in the calculation. In this study, the spectral calculations with the aid of the Cartesian-coordinate tensor transfer (CCT) method were applied successfully to the crystalline PHB, which include the explicit consideration of an intermolecular interaction among helical polymer chains. The agreements between the calculations and the experiments are good in both the Raman and THz spectra in terms of spectral shapes, frequencies, and intensities. A Raman active band at 79 cm(-1) was assigned to the intermolecular vibrational mode of the out-of-plane C═O + CH(3) vibration. A polarization state of the corresponding far-infrared absorption band at ∼82 cm(-1), perpendicular to the helix-elongation direction of PHB, was reproduced only under the explicit correction, which indicates that this polarized band originates from the interaction among the polymer chains. The calculation explored that the polarization direction of this band was along the a axis, which is consistent with the direction in which weak intermolecular hydrogen bonds are suggested between the C═O and CH(3) groups of two parallel polymer chains. The results obtained here have confirmed sensitivity of the low

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

    NASA Astrophysics Data System (ADS)

    Mork, Steven Wayne

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

  17. New Method to Study the Vibrational Modes of Biomolecules in the Terahertz Range Based on a Single-Stage Raman Spectrometer

    PubMed Central

    2017-01-01

    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. PMID:28393138

  18. Actively mode-locked Raman fiber laser.

    PubMed

    Yang, Xuezong; Zhang, Lei; Jiang, Huawei; Fan, Tingwei; Feng, Yan

    2015-07-27

    Active mode-locking of Raman fiber laser is experimentally investigated for the first time. An all fiber connected and polarization maintaining loop cavity of ~500 m long is pumped by a linearly polarized 1120 nm Yb fiber laser and modulated by an acousto-optic modulator. Stable 2 ns width pulse train at 1178 nm is obtained with modulator opening time of > 50 ns. At higher power, pulses become longer, and second order Raman Stokes could take place, which however can be suppressed by adjusting the open time and modulation frequency. Transient pulse evolution measurement confirms the absence of relaxation oscillation in Raman fiber laser. Tuning of repetition rate from 392 kHz to 31.37 MHz is obtained with harmonic mode locking.

  19. Modeling the antisymmetric and symmetric stretching vibrational modes of aqueous carboxylate anions.

    PubMed

    Sutton, Catherine C R; Franks, George V; da Silva, Gabriel

    2015-01-05

    The infrared spectra of six aqueous carboxylate anions have been calculated at the M05-2X/cc-pVTZ level of theory with the SMD solvent model, and validated against experimental data from the literature over the region of 1700 cm(-1) to 1250 cm(-1); this region corresponds to the stretching modes of the carboxylate group, and is often interrogated when probing bonding of carboxylates to other species and surfaces. The anions studied here were formate, acetate, oxalate, succinate, glutarate and citrate. For the lowest energy conformer of each anion, the carboxylate moiety antisymmetric stretching peak was predicted with a mean signed error of only 4 cm(-1) using the SMD solvent model, while the symmetric peak was slightly overestimated. Performing calculations in vacuum and scaling was found to generally over-predict the antisymmetric vibrational frequencies and under predict the symmetric peak. Different conformers of the same anion were found to have only slightly different spectra in the studied region and the inclusion of explicit water molecules was not found to significantly change the calculated spectra when the implicit solvent model is used. Overall, the use of density functional theory in conjunction with an implicit solvent model was found to result in infra-red spectra that are the best reproduction of the features found experimentally for the aqueous carboxylate ions in the important 1700 cm(-1) to 1250 cm(-1) region. The development of validated model chemistries for simulating the stretching modes of aqueous carboxylate ions will be valuable for future studies that investigate how carboxylate anions complex with multivalent metal cations and related species in solution.

  20. Inferential monitoring of chlorinated solvents through Raman spectroscopic observation of the vibrational modes of water.

    PubMed

    Sinfield, Joseph V; Monwuba, Chike

    2016-02-01

    Recent improvements in diode laser, fiber optic, and data acquisition technology have rejuvenated interest in field applications of Raman spectroscopy in a wide range of settings. One such application involves the observation of chlorinated solvents to facilitate the practice of "monitored natural attenuation." In this context, this manuscript focuses on means to improve the sensitivity of in-situ Raman analysis of chlorinated solvents. In particular, the work explores the performance limits of a Time-Resolved Raman Spectroscopy (TRRS) system employed to observe chlorinated solvents in aqueous samples via laboratory tests conducted on both liquid standards of trichloroethylene (TCE) and simulated biodegraded field samples. Quantitative assessment of TCE in solution is carried out through both direct observation of TCE Raman functional groups (381 cm(-1) (δ skeletal), 840 cm(-1) (νCCl) and 1242 cm(-1) (δCH)) and indirect observation of the broad OH stretching (2700-3800 cm(-1)) Raman modes of water. Results from tests on simple solutions show that the TRRS system can detect TCE at aqueous concentrations as low as 70 ppm by directly monitoring the 381 cm(-1) TCE line, whereas observation of the OH stretching line of water (3393 cm(-1)) provides an indirect indication of TCE presence with nearly a 9× improvement in detection level. This unique and counterintuitive mechanism to detect the presence of chlorinated compounds in solution takes advantage of the influence of chlorine on the vibrational modes of water. This influence, which is believed to be attributed to the formation of hydrogen bonds and their resultant interactions with the solvation shell, may serve as a more sensitive and robust indication of the presence of aggregate chlorinated solvent contamination in aqueous systems. Tests performed on simulated biodegraded field samples demonstrate that the indirect detection mechanism is apparent even in complex samples representative of typical field

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

    SciTech Connect

    Yau, Waifan.

    1988-04-01

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

  2. Low-temperature heat capacity and localized vibrational modes in natural and synthetic tetrahedrites

    SciTech Connect

    Lara-Curzio, E. May, A. F.; Delaire, O.; McGuire, M. A.; Lu, X.; Liu, Cheng-Yun; Case, E. D.; Morelli, D. T.

    2014-05-21

    The heat capacity of natural (Cu{sub 12−x} (Fe, Zn, Ag){sub x}(Sb, As){sub 4}S{sub 13}) and synthetic (Cu{sub 12−x}Zn{sub x}Sb{sub 4}S{sub 13} with x = 0, 1, 2) tetrahedrite compounds was measured between 2 K and 380 K. It was found that the temperature dependence of the heat capacity can be described using a Debye term and three Einstein oscillators with characteristic temperatures that correspond to energies of ∼1.0 meV, ∼2.8 meV, and ∼8.4 meV. The existence of localized vibrational modes, which are assigned to the displacements of the trigonally coordinated Cu atoms in the structure, is discussed in the context of anharmonicity and its effect on the low lattice thermal conductivity exhibited by these compounds.

  3. Active control of structurally-coupled sound fields in elastic cylinders by vibrational force inputs

    NASA Technical Reports Server (NTRS)

    Jones, J. D.; Fuller, C. R.

    1990-01-01

    Active control of structurally-coupled sound fields in elastic cylinders is analytically and experimentally studied. The primary (noise) field in the cylinder model is generated by the coupled dynamic response of the shell under loading by a single exterior acoustic source. Control of the interior sound field is achieved by applying vibrational force inputs directly to the shell wall. Action of the point controllers serve to increase the input impedance of select structural modes of the shell which are well-coupled to the interior acoustic cavity, thus substantially reducing sound transmission into the cavity. Spatially-averaged noise reductions in excess of 30 dB are demonstrated for acoustic resonant conditions within the cavity. Twin controller configurations are presented which demonstrate the ability to independently control orthogonal modes of the interior acoustic space. Benefits and drawbacks of this new methodology for noise control are discussed and clearly demonstrated.

  4. Electronically forbidden (5σu-->kσu) photoionization of CS2: Mode-specific electronic-vibrational coupling

    NASA Astrophysics Data System (ADS)

    Rathbone, G. J.; Poliakoff, E. D.; Bozek, John D.; Lucchese, R. R.

    2005-02-01

    Vibrationally resolved photoelectron spectroscopy of the CS2+(BΣu +2) state is used to show how nontotally symmetric vibrations "activate" a forbidden electronic transition in the photoionization continuum, specifically, a 5σu→kσu shape resonance, that would be inaccessible in the absence of a symmetry breaking vibration. This electronic channel is forbidden owing to inversion symmetry selection rules, but it can be accessed when a nonsymmetric vibration is excited, such as bending or antisymmetric stretching. Photoelectron spectra are acquired for photon energies 17⩽hν⩽72eV, and it is observed that the forbidden vibrational transitions are selectively enhanced in the region of a symmetry-forbidden continuum shape resonance centered at hν ≈42eV. Schwinger variational calculations are performed to analyze the data, and the theoretical analysis demonstrates that the observed forbidden transitions are due to photoelectron-mediated vibronic coupling, rather than interchannel Herzberg-Teller mixing. We observe and explain the counterintuitive result that some vibrational branching ratios vary strongly with energy in the region of the resonance, even though the resonance position and width are not appreciably influenced by geometry changes that correspond to the affected vibrations. In addition, we find that another resonant channel, 5σu→kπg, influences the symmetric stretch branching ratio. All of the observed effects can be understood within the framework of the Chase adiabatic approximation, i.e., the Born-Oppenheimer approximation applied to photoionization.

  5. Active sensor/actuator assemblies for vibration damping, compensation, measurement, and testing

    NASA Astrophysics Data System (ADS)

    Ryaboy, Vyacheslav M.; Kasturi, Prakash S.

    2010-04-01

    The vibration control module known as IQ damper had been developed as part of active vibration damping system for optical tables and other precision vibration isolated platforms. The present work describes steps to expand the application of these units to other tasks, namely, (1) dynamic testing of structures and (2) compensation of forced vibration in local areas. The sensor-actuator assembly, including signal conditioning circuits, is designed as a compact dynamically symmetric module with mechanical interface to an optical table. The test data show that the vibration control modules can be used to measure dynamic compliance characteristics of optical tables with precision comparable to that of dedicated vibration measurement systems. Stable concerted work of active vibration control modules compensating forced harmonic vibration is demonstrated experimentally.

  6. Vibrational resonance, allostery, and activation in rhodopsin-like G protein-coupled receptors

    NASA Astrophysics Data System (ADS)

    Woods, Kristina N.; Pfeffer, Jürgen; Dutta, Arpana; Klein-Seetharaman, Judith

    2016-11-01

    G protein-coupled receptors are a large family of membrane proteins activated by a variety of structurally diverse ligands making them highly adaptable signaling molecules. Despite recent advances in the structural biology of this protein family, the mechanism by which ligands induce allosteric changes in protein structure and dynamics for its signaling function remains a mystery. Here, we propose the use of terahertz spectroscopy combined with molecular dynamics simulation and protein evolutionary network modeling to address the mechanism of activation by directly probing the concerted fluctuations of retinal ligand and transmembrane helices in rhodopsin. This approach allows us to examine the role of conformational heterogeneity in the selection and stabilization of specific signaling pathways in the photo-activation of the receptor. We demonstrate that ligand-induced shifts in the conformational equilibrium prompt vibrational resonances in the protein structure that link the dynamics of conserved interactions with fluctuations of the active-state ligand. The connection of vibrational modes creates an allosteric association of coupled fluctuations that forms a coherent signaling pathway from the receptor ligand-binding pocket to the G-protein activation region. Our evolutionary analysis of rhodopsin-like GPCRs suggest that specific allosteric sites play a pivotal role in activating structural fluctuations that allosterically modulate functional signals.

  7. Vibrational resonance, allostery, and activation in rhodopsin-like G protein-coupled receptors.

    PubMed

    Woods, Kristina N; Pfeffer, Jürgen; Dutta, Arpana; Klein-Seetharaman, Judith

    2016-11-16

    G protein-coupled receptors are a large family of membrane proteins activated by a variety of structurally diverse ligands making them highly adaptable signaling molecules. Despite recent advances in the structural biology of this protein family, the mechanism by which ligands induce allosteric changes in protein structure and dynamics for its signaling function remains a mystery. Here, we propose the use of terahertz spectroscopy combined with molecular dynamics simulation and protein evolutionary network modeling to address the mechanism of activation by directly probing the concerted fluctuations of retinal ligand and transmembrane helices in rhodopsin. This approach allows us to examine the role of conformational heterogeneity in the selection and stabilization of specific signaling pathways in the photo-activation of the receptor. We demonstrate that ligand-induced shifts in the conformational equilibrium prompt vibrational resonances in the protein structure that link the dynamics of conserved interactions with fluctuations of the active-state ligand. The connection of vibrational modes creates an allosteric association of coupled fluctuations that forms a coherent signaling pathway from the receptor ligand-binding pocket to the G-protein activation region. Our evolutionary analysis of rhodopsin-like GPCRs suggest that specific allosteric sites play a pivotal role in activating structural fluctuations that allosterically modulate functional signals.

  8. Vibrational resonance, allostery, and activation in rhodopsin-like G protein-coupled receptors

    PubMed Central

    Woods, Kristina N.; Pfeffer, Jürgen; Dutta, Arpana; Klein-Seetharaman, Judith

    2016-01-01

    G protein-coupled receptors are a large family of membrane proteins activated by a variety of structurally diverse ligands making them highly adaptable signaling molecules. Despite recent advances in the structural biology of this protein family, the mechanism by which ligands induce allosteric changes in protein structure and dynamics for its signaling function remains a mystery. Here, we propose the use of terahertz spectroscopy combined with molecular dynamics simulation and protein evolutionary network modeling to address the mechanism of activation by directly probing the concerted fluctuations of retinal ligand and transmembrane helices in rhodopsin. This approach allows us to examine the role of conformational heterogeneity in the selection and stabilization of specific signaling pathways in the photo-activation of the receptor. We demonstrate that ligand-induced shifts in the conformational equilibrium prompt vibrational resonances in the protein structure that link the dynamics of conserved interactions with fluctuations of the active-state ligand. The connection of vibrational modes creates an allosteric association of coupled fluctuations that forms a coherent signaling pathway from the receptor ligand-binding pocket to the G-protein activation region. Our evolutionary analysis of rhodopsin-like GPCRs suggest that specific allosteric sites play a pivotal role in activating structural fluctuations that allosterically modulate functional signals. PMID:27849063

  9. Multi-mode traffic-induced vibrations in composite ladder-deck bridges under heavy moving vehicles

    NASA Astrophysics Data System (ADS)

    Camara, A.; Ruiz-Teran, A. M.

    2015-10-01

    Composite (steel-concrete) ladder-decks represent one of the most common solutions in road bridges nowadays. In these structures the Serviceability Limit State (SLS) of vibrations is traditionally ignored or roughly addressed by means of simple static deflection-based approaches, inherently assuming that the vibrations are controlled by the fundamental longitudinal mode. This work demonstrates that a wide range of high-order vibrational modes, involving the transverse flexure of the slab between longitudinal girders, govern the accelerations recorded in the deck and inside the vehicles. In addition, a new methodology for analysing the Vehicle-Bridge Interaction is proposed, including the approaching platforms, the transition slabs, and the bridge joints. The results suggest that the riding comfort for vehicle users is specially affected by direct effects on the wheels, like the road roughness and possible construction misalignments at the bridge joints, as well as low-frequency vibrations coming from the deck in short or slender bridges. The filtering effects resulting from the average of the response in time and in space when calculating the root mean square acceleration are also explored, and new design parameters are provided. In addition, several structural features (such as the depth and spacing of the longitudinal and transverse steel beams, the thickness of the concrete slab, and the stiffness of the cantilever cross beams at the diaphragm sections) have been studied, and a set of new design criteria has been established. It has been demonstrated that the transverse flexibility of the deck (specially influenced by the support conditions and the slab thickness) is critically important for the users' (pedestrians and vehicle passengers) comfort, as it controls the aforementioned high-order vibrational modes which govern the dynamic response.

  10. Importance of backbone angles versus amino acid configurations in peptide vibrational Raman optical activity spectra

    NASA Astrophysics Data System (ADS)

    Herrmann, Carmen; Ruud, Kenneth; Reiher, Markus

    2008-01-01

    In this work, we investigate whether the differential scattering of right- and left-circularly polarized light in peptide Raman optical activity spectra are uniquely dominated by the backbone conformation, or whether the configurations of the individual amino acid also play a significant role. This is achieved by calculating Raman optical activity spectra using density functional theory for four structurally related peptides with a common backbone conformation, but with different sequences of amino acid configurations. Furthermore, the ROA signals of the amide normal modes are decomposed into contributions from groups of individual atoms. It is found that the amino acid configuration has a considerable influence on the ROA peaks in the amide I, II, and III regions, although the local decomposition reveals that the side-chain atoms only contribute to those peaks directly in the case of the amide II vibrations. Furthermore, small changes in the amide normal modes may lead to large and irregular modifications in the ROA intensity differences, making it difficult to establish transferable ROA intensity differences even for structurally similar vibrations.

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

    PubMed

    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.

  12. In-plane rigid-body vibration mode characterization with a nanometer resolution by stroboscopic imaging of a microstructured pattern.

    PubMed

    Sandoz, Patrick; Friedt, Jean-Michel; Carry, Emile

    2007-02-01

    This article introduces an improved approach for the characterization of in-plane rigid-body vibration, based on digital processing of stroboscopic images of the moving part. The method involves a sample preparation step, in order to pattern a periodic microstructure on the vibrating device, for instance, by focused ion beam milling. An image processing method has then been developed to perform the optimum reconstruction of this a priori known object feature. In-plane displacement and rotation are deduced simultaneously with a high resolution (10-2 pixel and 0.5 x 10(-3) rad, respectively). The measurement principle combines phase measurements-that provide the high resolution-with correlation-that unwraps the phase with the proper phase constants. The vibration modes of a tuning fork are used for demonstrating the capabilities of the method. For applications allowing the sample preparation, the proposed methodology is more convenient than common interference methods or image processing techniques for the characterization of the vibration modes, even for amplitudes in the nanometer range.

  13. Dynamic modelling and active vibration controller design for a cylindrical shell equipped with piezoelectric sensors and actuators

    NASA Astrophysics Data System (ADS)

    Kwak, Moon K.; Heo, Seok; Jeong, Moonsan

    2009-04-01

    This paper is concerned with the dynamic modelling, active vibration controller design and experiments for a cylindrical shell equipped with piezoelectric sensors and actuators. The dynamic model was derived by using Rayleigh-Ritz method based on the Donnel-Mushtari shell theory. The actuator equations which relate the applied voltages to the generalized force and sensor equations which relate the generalized displacements to the sensor output voltages for the piezoelectric wafer were derived based on the pin-force model. The equations of motion along with the piezoelectric sensor equations were then reduced to modal forms considering the modes of interest. An aluminium shell was fabricated to demonstrate the effectiveness of the modelling and control techniques. The boundary conditions at both ends of the shell were assumed to be a shear diaphragm in the numerical analysis. Theoretical natural frequencies of the aluminium shell were then calculated and compared to experimental result. They were in good agreement with experimental result for the first two free-vibration modes. The multi-input and multi-output positive position feedback controller, which can cope with the first two vibration modes, was designed based on the block-inverse theory and was implemented digitally using the DSP board. The experimental results showed that vibrations of the cylindrical shell can be successfully suppressed by the piezoelectric actuator and the proposed controller.

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

    PubMed

    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.

  15. Vibrational analysis of single-layered piezoelectric AFM microcantilever in amplitude mode by considering the capillary force

    NASA Astrophysics Data System (ADS)

    Habibnejad Korayem, Alireza; Habibnejad Korayem, Moharam; Ghaderi, Reza

    2014-12-01

    In this article, the vibrational behavior of a microcantilever (MC) with an extended piezoelectric layer in the air ambient undergoes examination. To model the vibrational motion of this type of cantilever, the Hamilton's principle has been used. For this purpose, the MC vibrational equation has been derived by the assumption of the continuous beam based on the Euler-Bernoulli beam theory. By adopting the finite element method (FEM), the MC differential equation has been solved. In the present simulation not only van der Waals and contact forces but also the capillary forces resulting from the condensation of the water vapors in air on MC tip have been considered. The results illustrate that the force between the sample surface and the probe affects the MC amplitude; furthermore, it causes the reduction in the resonance frequency. In addition, to reduce the time delay during topography from the surface roughness, it is better to select MCs with larger width and length and smaller thickness. Furthermore, the results indicate that the best imaging takes place when the vibration is in its second vibrational mode. Finally, the effects of MC geometric parameters on the time delay between the starting moment of surface roughness and the moment of variation in the MC amplitude (surface roughness topography) have been analyzed.

  16. Evolution of Microstructure and Residual Stress under Various Vibration Modes in 304 Stainless Steel Welds

    PubMed Central

    Wang, Peng-Shuen; Wang, Jia-Siang

    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. PMID:24605068

  17. PROMINENCE ACTIVATION BY CORONAL FAST MODE SHOCK

    SciTech Connect

    Takahashi, Takuya; Asai, Ayumi; Shibata, Kazunari

    2015-03-01

    An X5.4 class flare occurred in active region NOAA11429 on 2012 March 7. The flare was associated with a very fast coronal mass ejection (CME) with a velocity of over 2500 km s{sup −1}. In the images taken with the Solar Terrestrial Relations Observatory-B/COR1, a dome-like disturbance was seen to detach from an expanding CME bubble and propagated further. A Type-II radio burst was also observed at the same time. On the other hand, in extreme ultraviolet images obtained by the Solar Dynamic Observatory/Atmospheric Imaging Assembly (AIA), the expanding dome-like structure and its footprint propagating to the north were observed. The footprint propagated with an average speed of about 670 km s{sup −1} and hit a prominence located at the north pole and activated it. During the activation, the prominence was strongly brightened. On the basis of some observational evidence, we concluded that the footprint in AIA images and the ones in COR1 images are the same, that is, the MHD fast mode shock front. With the help of a linear theory, the fast mode Mach number of the coronal shock is estimated to be between 1.11 and 1.29 using the initial velocity of the activated prominence. Also, the plasma compression ratio of the shock is enhanced to be between 1.18 and 2.11 in the prominence material, which we consider to be the reason for the strong brightening of the activated prominence. The applicability of linear theory to the shock problem is tested with a nonlinear MHD simulation.

  18. Substrate Independence of THz Vibrational Modes of Polycrystalline Thin Films of Molecular Solids in Waveguide THz-TDS

    DTIC Science & Technology

    2012-01-01

    THz-TDS technique is investigated. The sample film of salicylic acid is studied using waveguide THz-TDS on three different metal substrates and two...vibrational modes with wave- guide THz-TDS. The investigation of substrate dependence is performed using salicylic acid as the test molecule. This...Al and a self assembled monolayer (SAM) on Au. Salicylic acid is first characterized in the pel- let form and then compared to the absorption features

  19. Understanding the vibrational mode-specific polarization effects in femtosecond Raman-induced Kerr-effect spectroscopy.

    PubMed

    McAnally, Michael O; Guo, Yinsheng; Balakrishnan, Gurusamy; Schatz, George C; Van Duyne, Richard P

    2016-11-15

    Optically heterodyne-detected femtosecond Raman-induced Kerr-effect spectroscopy (OHD-FRIKES) was observed in neat cyclohexane. In this Letter, an examination of the effect of the Raman pump ellipticity on the multiplex OHD-FRIKES spectra is discussed. The Raman pump ellipticity scanned OHD-FRIKES results reproduce anomalous observables from previous OHD-FRIKES experiments and suggest new methods of tracking transient vibrational mode polarization in complex systems.

  20. Infrared-Laser Excitation of the Internal Vibrational Mode of a Diatomic Molecule Adsorbed on a Metal Surface.

    DTIC Science & Technology

    1986-11-01

    Excitation of the Internal Vibrational Mode of a Diatomic Molecule Adsorbed on a Metal Surface m by ’ Andre Peremans, Jacques Darville , Jean-Marie...Andre Peremans, Jacques Darville , Jean-Marie Gilles and Thomas F. George 13. TYPE OF REPORT 13b. TIME COVERED 14. DATE OF REPORT (Yr. Mo.. Dayl As...ON A METAL SURFACE h Andr& Peremans , Jacques Darville and Jean-Marie Gilles _ _ _ _ Laboratoire de Spectroscopie Mol6culaire de Surface Accesnion

  1. Adaptive active vibration control to improve the fatigue life of a carbon-epoxy smart structure

    NASA Astrophysics Data System (ADS)

    Ripamonti, Francesco; Cazzulani, Gabriele; Cinquemani, Simone; Resta, Ferruccio; Torti, Alessandro

    2015-04-01

    Active vibration controls are helpful in improving fatigue life of structures through limitation of absolute displacements. However, control algorithms are usually designed without explicitly taking into account the fatigue phenomenon. In this paper, an adaptive vibration controller is proposed to increase the fatigue life of a smart structure made of composite material and actuated with piezoelectric patches. The main innovation with respect to the most common solutions is that the control laws are directly linked to a damage driving force, which is correlated to a fatigue damage model for the specific material. The control logic is different depending on the damage state of the structure. If no significant damage affects the structure, the controller decreases the crack nucleation probability by limiting the driving forces in the overall structure. On the contrary, if initiated cracks are present, their further propagation is prevented by controlling the damage driving forces in the already damaged areas. The structural diagnostics is performed through a vibration-based health monitoring technique, while periodical adaptation of the controller is adopted to consider damage-induced changes on the structure state-space model and to give emphasis to the most excited modes. The control algorithm has been numerically validated on the finite element model of a cantilever plate.

  2. Development of a Debye heat capacity model for vibrational modes with a gap in the density of states.

    PubMed

    Schliesser, Jacob M; Woodfield, Brian F

    2015-07-22

    Low-energy vibrational modes that have a gap in the density of states (DOS) have often been observed in heat capacity data in the form of 'boson' peaks, but the functions used to model these modes are often inadequate or are not physically meaningful. We have adapted the Debye model to represent these gapped modes and have derived the heat capacity equations for these modes in one, two, and three dimensions. Applying these equations to the low-temperature heat capacity data fitting for a large variety of materials substantially improves the fit quality relative to conventional fits. From the fitting parameters, the underlying DOS were estimated, which we show to be comparable to those reported in the literature. This model expands the methods of theoretical low-temperature heat capacity data analysis and improves the procedure of approximating a material's DOS from its low-temperature heat capacity.

  3. Active vibration control of smart composite plates using LQR algorithm

    NASA Astrophysics Data System (ADS)

    Suresh, R.; Venkateshwara Rao, G.

    2003-10-01

    The concept of using the actuators and sensors to form a self controlling and self monitoring smart system in advanced structural design has drawn considerable interest among the research community. The smart system has large number of active, light weight, distributed sensors and actuators either bonded or embedded in the structure for the purpose of vibration suppression, shape and acoustic controls as well as fault detection and mitigation. The present study addresses the issues related to the active vibration control schemes for the smart composite panels, with substrate as the fiber reinforced composite laminate and the piezo ceramic layers as the actuators and sensors, using LQR algorithm. The study involves the structural modelling, controller design, open and closed loop system response analysis. For this purpose, an eight noded isoparametric finite element with seven degrees of freedom, viz., three translations, two section rotations and two potential differences corresponding to the actuators and sensors is developed. The piezo-ceramic actuator and sensor layers are also considered as the load bearing components in the panel. The finite element equations are first transformed into the modal state space form and then are used to obtain the constant controller gains. These are used to obtain the closed loop responses.

  4. Low-frequency vibrational modes of DL-homocysteic acid and related compounds.

    PubMed

    Yang, Limin; Zhao, Guozhong; Li, Weihong; Liu, Yufeng; Shi, Xiaoxi; Jia, Xinfeng; Zhao, Kui; Lu, Xiangyang; Xu, Yizhuang; Xie, Datao; Wu, Jinguang; Chen, Jia'er

    2009-09-01

    In this paper several polycrystalline molecules with sulfonate groups and some of their metal complexes, including DL-homocysteic acid (DLH) and its Sr- and Cu-complexes, pyridine-3-sulphonic acid and its Co- and Ni-complexes, sulfanilic acid and L-cysteic acid were investigated using THz time-domain methods at room temperature. The results of THz absorption spectra show that the molecules have characteristic bands in the region of 0.2-2.7 THz (6-90 cm(-1)). THz technique can be used to distinguish different molecules with sulfonate groups and to determine the bonding of metal ions and the changes of hydrogen bond networks. In the THz region DLH has three bands: 1.61, 1.93 and 2.02 THz; and 0.85, 1.23 and 1.73 THz for Sr-DLH complex, 1.94 THz for Cu-DLH complex, respectively. The absorption bands of pyridine-3-sulphonic acid are located at 0.81, 1.66 and 2.34 THz; the bands at 0.96, 1.70 and 2.38 THz for its Co-complex, 0.76, 1.26 and 1.87 THz for its Ni-complex. Sulphanilic acid has three bands: 0.97, 1.46 and 2.05 THz; and the absorption bands of l-cysteic acid are at 0.82, 1.62, 1.87 and 2.07 THz, respectively. The THz absorption spectra after complexation are different from the ligands, which indicate the bonding of metal ions and the changes of hydrogen bond networks. M-O and other vibrations appear in the FIR region for those metal-ligand complexes. The bands in the THz region were assigned to the rocking, torsion, rotation, wagging and other modes of different groups in the molecules. Preliminary assignments of the bands were carried out using Gaussian program calculation.

  5. Integrated passive/active vibration absorber for multi-story buildings

    NASA Technical Reports Server (NTRS)

    Lee-Glauser, Gina J.; Ahmadi, Goodarz; Horta, Lucas G.

    1995-01-01

    Passive isolator, active vibration absorber, and an integrated passive/active (hybrid) control are studied for their effectiveness in reducing structural vibration under seismic excitations. For the passive isolator, a laminated rubber bearing base isolator which has been studied and used extensively by researchers and seismic designers is considered. An active vibration absorber concept, which can provide guaranteed closed-loop stability with minimum knowledge of the controlled system, is used to reduce the passive isolator displacement and to suppress the top floor vibration. A three-story building model is used for the numerical simulation. The performance of an active vibration absorber and a hybrid vibration controller in reducing peak structural responses is compared with the passively isolated structural response and with absence of vibration control systems under the N00W component of El Centro 1940 and N90W component of the Mexico City earthquake excitation records. The results show that the integrated passive/active vibration control system is most effective in suppressing the peak structural acceleration for the El Centro 1940 earthquake when compared with the passive or active vibration absorber alone. The active vibration absorber, however, is the only system that suppresses the peak acceleration of the structure for the Mexico City 1985 earthquake.

  6. Polarization-Resolved Raman Study of Bulk-like and Davydov-Induced Vibrational Modes of Exfoliated Black Phosphorus.

    PubMed

    Phaneuf-L'Heureux, Anne-Laurence; Favron, Alexandre; Germain, Jean-Francis; Lavoie, Patrick; Desjardins, Patrick; Leonelli, Richard; Martel, Richard; Francoeur, Sebastien

    2016-12-14

    Owing to its crystallographic structure, black phosphorus is one of the few 2D materials expressing strongly anisotropic optical, transport, and mechanical properties. We report on the anisotropy of electron-phonon interactions through a polarization-resolved Raman study of the four vibrational modes of atomically thin black phosphorus (2D phosphane): the three bulk-like modes Ag(1), B2g, and Ag(2) and the Davydov-induced mode labeled Ag(B2u). The complex Raman tensor elements reveal that the relative variation in permittivity of all Ag modes is irrespective of the atomic motion involved lowest along the zigzag direction, the basal anisotropy of these variations is most pronounced for Ag(2) and Ag(B2u), and interlayer interactions in multilayer samples lead to reduced anisotropy. The bulk-forbidden Ag(B2u) mode appears for n ≥ 2 and quickly subsides in thicker layers. It is assigned to a Davydov-induced IR to Raman conversion of the bulk IR mode B2u and exhibits characteristics similar to Ag(2). Although this mode is expected to be weak, an electronic resonance significantly enhances its Raman efficiency such that it becomes a dominant mode in the spectrum of bilayer 2D phosphane.

  7. Vibrational Optical Activity of BODIPY Dimers: The Role of Magnetic-Electric Coupling in Vibrational Excitons.

    PubMed

    Abbate, Sergio; Bruhn, Torsten; Pescitelli, Gennaro; Longhi, Giovanna

    2017-01-12

    The vibrational exciton (VE) interpretation of intense bisignated couplets in vibrational circular dichroism (VCD) spectra of a pair of atropisomeric BODIPY (boron dipyrrin) dimers is discussed. The role of intrinsic magnetic moments is crucial to reproduce the different behaviors of quasi-isomeric BODIPY dimers with different aryl junction.

  8. Active vibration control of structure by Active Mass Damper and Multi-Modal Negative Acceleration Feedback control algorithm

    NASA Astrophysics Data System (ADS)

    Yang, Don-Ho; Shin, Ji-Hwan; Lee, HyunWook; Kim, Seoug-Ki; Kwak, Moon K.

    2017-03-01

    In this study, an Active Mass Damper (AMD) consisting of an AC servo motor, a movable mass connected to the AC servo motor by a ball-screw mechanism, and an accelerometer as a sensor for vibration measurement were considered. Considering the capability of the AC servo motor which can follow the desired displacement accurately, the Negative Acceleration Feedback (NAF) control algorithm which uses the acceleration signal directly and produces the desired displacement for the active mass was proposed. The effectiveness of the NAF control was proved theoretically using a single-degree-of-freedom (SDOF) system. It was found that the stability condition for the NAF control is static and it can effectively increase the damping of the target natural mode without causing instability in the low frequency region. Based on the theoretical results of the SDOF system, the Multi-Modal NAF (MMNAF) control is proposed to suppress the many natural modes of multi-degree-of-freedom (MDOF) systems using a single AMD. It was proved both theoretically and experimentally that the MMNAF control can suppress vibrations of the MDOF system.

  9. Design of the Active Elevon Rotor for Low Vibration

    NASA Technical Reports Server (NTRS)

    Fulton, Mark V.; Rutkowski, Michael (Technical Monitor)

    2000-01-01

    Helicopter fuselages vibrate more than desired, and traditional solutions have limited effectiveness and can impose an appreciable weight penalty. Alternative methods of combating high vibration, including Higher Harmonic Control (HHC) via harmonic swashplate motion and Individual Blade Control (IBC) via active pitch links, have been studied for several decades. HHC via an on-blade control surface was tested in 1977 on a full scale rotor using a secondary active swashplate and a mechanical control system. Recent smart material advances have prompted new research into the use of on-blade control concepts. Recent analytical studies have indicated that the use of on-blade control surfaces produces vibration reduction comparable to swashplate-based HHC but for less power. Furthermore, smart materials (such as piezoceramics) have been shown to provide sufficient control authority for preliminary rotor experiments. These experiments were initially performed at small scale for reduced tip speeds. More recent experiments have been conducted at or near full tip speeds, and a full-scale active rotor is under development by Boeing with Eurocopter et al. pursuing a similarly advanced full-scale implementation. The US Army Aeroflightdynamics Directorate has undertaken a new research program called the Active Elevon Rotor (AER) Focus Demo. This program includes the design, fabrication, and wind. tunnel testing of a four-bladed, 12.96 ft diameter rotor with one or two on-blade elevons per blade. The rotor, which will be Mach scaled, will use 2-5/rev elevon motion for closed-loop control and :will be tested in late 2001. The primary goal of the AER Focus Demo is the reduction of vibratory hub loads by 80% and the reduction of vibratory blade structural loads. A secondary goal is the reduction of rotor power. The third priority is the measurement and possible reduction of Blade Vortex Interaction (BVI) noise. The present study is focused on elevon effectiveness, that is, the elevon

  10. The influence of vibration type, frequency, body position and additional load on the neuromuscular activity during whole body vibration.

    PubMed

    Ritzmann, Ramona; Gollhofer, Albert; Kramer, Andreas

    2013-01-01

    This study aimed to assess the influence of different whole body vibration (WBV) determinants on the electromyographic (EMG) activity during WBV in order to identify those training conditions that cause highest neuromuscular responses and therefore provide optimal training conditions. In a randomized cross-over study, the EMG activity of six leg muscles was analyzed in 18 subjects with respect to the following determinants: (1) vibration type (side-alternating vibration (SV) vs. synchronous vibration (SyV), (2) frequency (5-10-15-20-25-30 Hz), (3) knee flexion angle (10°-30°-60°), (4) stance condition (forefoot vs. normal stance) and (5) load variation (no extra load vs. additional load equal to one-third of the body weight). The results are: (1) neuromuscular activity during SV was enhanced compared to SyV (P < 0.05); (2) a progressive increase in frequency caused a progressive increase in EMG activity (P < 0.05); (3) the EMG activity was highest for the knee extensors when the knee joint was 60° flexed (P < 0.05); (4) for the plantar flexors in the forefoot stance condition (P < 0.05); and (5) additional load caused an increase in neuromuscular activation (P < 0.05). In conclusion, large variations of the EMG activation could be observed across conditions. However, with an appropriate adjustment of specific WBV determinants, high EMG activations and therefore high activation intensities could be achieved in the selected muscles. The combination of high vibration frequencies with additional load on an SV platform led to highest EMG activities. Regarding the body position, a knee flexion of 60° and forefoot stance appear to be beneficial for the knee extensors and the plantar flexors, respectively.

  11. Active Flap Control of the SMART Rotor for Vibration Reduction

    NASA Technical Reports Server (NTRS)

    Hall, Steven R.; Anand, R. Vaidyanathan; Straub, Friedrich K.; Lau, Benton H.

    2009-01-01

    Active control methodologies were applied to a full-scale active flap rotor obtained during a joint Boeing/ DARPA/NASA/Army test in the Air Force National Full-Scale Aerodynamic Complex 40- by 80-foot anechoic wind tunnel. The active flap rotor is a full-scale MD 900 helicopter main rotor with each of its five blades modified to include an on-blade piezoelectric actuator-driven flap with a span of 18% of radius, 25% of chord, and located at 83% radius. Vibration control demonstrated the potential of active flaps for effective control of vibratory loads, especially normal force loads. Active control of normal force vibratory loads using active flaps and a continuous-time higher harmonic control algorithm was very effective, reducing harmonic (1-5P) normal force vibratory loads by 95% in both cruise and approach conditions. Control of vibratory roll and pitch moments was also demonstrated, although moment control was less effective than normal force control. Finally, active control was used to precisely control blade flap position for correlation with pretest predictions of rotor aeroacoustics. Flap displacements were commanded to follow specific harmonic profiles of 2 deg or more in amplitude, and the flap deflection errors obtained were less than 0.2 deg r.m.s.

  12. Adsorption of linear alkanes on Cu(111): Temperature and chain-length dependence of the softened vibrational mode

    NASA Astrophysics Data System (ADS)

    Fosser, Kari A.; Kang, Joo H.; Nuzzo, Ralph G.; Wöll, Christof

    2007-05-01

    The vibrational spectra of linear alkanes, with lengths ranging from n-propane to n-octane, were examined on a copper surface by reflection-absorption infrared spectroscopy. The appearance and frequency of the "soft mode," a feature routinely seen in studies of saturated hydrocarbons adsorbed on metals, were examined and compared between the different adsorbates. The frequency of the mode was found to be dependent on both the number of methylene units of each alkane as well as specific aspects of the order of the monolayer phase. Studies of monolayer coverages at different temperatures provide insights into the nature of the two-dimensional (2D) melting transitions of these adlayer structures, ones that can be inferred from observed shifts in the soft vibrational modes appearing in the C-H stretching region of the infrared spectrum. These studies support recently reported hypotheses as to the origins of such soft modes: the metal-hydrogen interactions that mediate them and the dynamics that underlay their pronounced temperature dependencies. The present data strongly support a model for the 2D to one-dimensional order-order phase transition arising via a continuous rather than discrete first-order process.

  13. Passive and active launch vibration studies in the LVIS program

    NASA Astrophysics Data System (ADS)

    Edberg, Donald L.; Bartos, Bruce; Goodding, James C.; Wilke, Paul S.; Davis, Torey

    1998-06-01

    A U.S. Air Force-sponsored team consisting of Boeing (formerly McDonnell Douglas), Honeywell Satellite Systems, and CSA Engineering has developed technology to reduce the vibration felt by an isolated payload during launch. Spacecraft designers indicate that a launch vibration isolation system (LVIS) could provide significant cost benefits in payload design, testing, launch, and lifetime. This paper contains developments occurring since those reported previously. Simulations, which included models of a 6,500 pound spacecraft, an isolating payload attach fitting (PAF) to replace an existing PAF, and the Boeing Delta II launch vehicle, were used to generate PAF performance requirements for the desired levels of attenuation. Hardware was designed to meet the requirements. The isolating PAF concept replaces portions of a conventional metallic fitting with hydraulic- pneumatic struts featuring a unique hydraulic cross-link feature that stiffens under rotation to meet rocking restrictions. The pneumatics provide low-stiffness longitudinal support. Two demonstration isolating PAF struts were designed, fabricated and tested to determine their stiffness and damping characteristics and to verify the performance of the hydraulic crosslink concept. Measurements matched analytical predictions closely. An active closed-loop control system was simulated to assess its potential isolation performance. A factor of 100 performance increase over the passive case was achieved with minor weight addition and minimal power consumption.

  14. Active control of aircraft cabin noise and vibration using a physical model

    NASA Astrophysics Data System (ADS)

    Li, Desheng

    In this thesis, active noise and vibration control of aircraft cabins is investigated, in which aircraft cabins are modeled as a cylindrical shell with a floor partition. As the first step toward a successful control strategy, a structural acoustic coupling analysis of the investigated structure is carried out. A new method called "Radiation Efficiency Analysis of Structural Modes (REASM)", suitable for enclosures with irregular shapes, is proposed and applied in the current analysis. Then, the optimal design of control systems consisting of PZT actuators and PVDF error sensors is discussed. A novel design method for PVDF error sensors called "GA-based method" is introduced and shown to be very effective when complex structures are involved. Finally, an active control system is implemented on a scaled laboratory aircraft-cabin model. Both the simulation and experimental results show the great potential of using piezoelectric transducers in noise control and the significant performance improvement achieved through optimal design.

  15. Synchronization analysis and control of three eccentric rotors in a vibrating system using adaptive sliding mode control algorithm

    NASA Astrophysics Data System (ADS)

    Kong, Xiangxi; Zhang, Xueliang; Chen, Xiaozhe; Wen, Bangchun; Wang, Bo

    2016-05-01

    In this paper, self- and controlled synchronizations of three eccentric rotors (ERs) in line driven by induction motors rotating in the same direction in a vibrating system are investigated. The vibrating system is a typical underactuated mechanical-electromagnetic coupling system. The analysis and control of the vibrating system convert to the synchronization motion problem of three ERs. Firstly, the self-synchronization motion of three ERs is analyzed according to self-synchronization theory. The criterions of synchronization and stability of self-synchronous state are obtained by using a modified average perturbation method. The significant synchronization motion of three ERs with zero phase differences cannot be implemented according to self-synchronization theory through analysis and simulations. To implement the synchronization motion of three ERs with zero phase differences, an adaptive sliding mode control (ASMC) algorithm based on a modified master-slave control strategy is employed to design the controllers. The stability of the controllers is verified by using Lyapunov theorem. The performances of the controlled synchronization system are presented by simulations to demonstrate the effectiveness of controllers. Finally, the effects of reference speed and non-zero phase differences on the controlled system are discussed to show the strong robustness of the proposed controllers. Additionally, the dynamic responses of the vibrating system in different synchronous states are analyzed.

  16. Mode-specific vibrational relaxation of photoexcited guanosine 5'-monophosphate and its acid form: a femtosecond broadband mid-IR transient absorption and theoretical study.

    PubMed

    Zhang, Yuyuan; Improta, Roberto; Kohler, Bern

    2014-01-28

    UV-pump/broadband-mid-IR-probe transient absorption (TA) experiments and ab initio quantum mechanical (QM) calculations were used to investigate the photophysics in heavy water of the neutral and acid forms of guanosine 5'-monophosphate (GMP and GMPD(+), respectively). Excited GMP undergoes ultrafast internal conversion (IC) and returns to the electronic ground state in less than one picosecond with a large amount of excess vibrational energy. The spectroscopic signals are dominated by vibrational cooling - a process in which the solute dissipates vibrational energy to the solvent. For neutral GMP, cooling proceeds with a time constant of 3 ps. Following IC, at least some medium-frequency modes such as the carbonyl stretch and an in-plane ring vibration are excited, suggesting that the vibrational energy distribution is non-statistical. This is consistent with predicted structural changes upon passage through the S1/S0 conical intersection. GMPD(+) differs from GMP by a single deuteron at the N7 position, but has a dramatically longer lifetime of 200 ps. Vibrational cooling of the S1 state of GMPD(+) was monitored via several medium-frequency modes that were assigned using QM calculations. These medium-frequency modes are also vibrationally excited in a non-statistical fashion. Excitation of these modes is in line with the change in geometry at the S1 minimum of GMPD(+) predicted by QM calculations. Furthermore, these modes relax at different rates, fully consistent with QM calculations, which predict that excited vibrational states of the carbonyl stretch couple strongly to the D2O solvent and thus deactivate via intermolecular energy transfer (IET). In contrast, the ring stretch couples strongly to other ring modes of the guanine chromophore and appears to decay via intramolecular vibrational energy redistribution (IVR).

  17. Local vibrational mode of an impurity in a monatomic linear chain under open and periodic boundary conditions

    NASA Astrophysics Data System (ADS)

    Luo, Qiang

    2016-11-01

    In this paper, we revisit the lattice vibration of a one-dimensional monatomic linear chain under open and periodic boundary conditions, and give the exact conditions for the emergence of the local vibration mode when one of the atoms is replaced by an impurity. Our motivation is twofold. Firstly, in deriving the dispersion relation of the atoms, the periodic boundary condition is overwhelmingly utilized while the open boundary condition is seldom used. Therefore we manage to obtain the dispersion relation under both boundary conditions simultaneously by the Molinari formula. Secondly, in the presence of an impurity, the local vibration mode can emerge as long as the mass of the impurity m\\prime is smaller than the mass of the perfect atom m to a certain degree, which can be measured by the mass ratio δ =\\tfrac{m-m\\prime }{m}. At the periodic boundary condition, the critical mass ratio is 0 or \\tfrac{1}{N}, depending on whether the length N of the chain is even or odd. At the open boundary condition, the critical mass ratio is \\tfrac{N}{2N-1} if the impurity locates at the end of the chain, while it is \\tfrac{N}{(2{N}{{l}}+1)(2{N}{{r}}+1)} with N l and N r the number of atoms at the left- and right-hand sides of the impurity if the impurity locates at the middle.

  18. Simulation and experimental study of flexible electret-based loudspeaker vibration modes by electronic speckle pattern interferometry

    NASA Astrophysics Data System (ADS)

    Chen, Yu-Chi; Chen, Te-Hsun; Chien, Chih-Jen; Chang, Wen-Chi; Cheng, Chih-Chiang; Ko, Wen-Ching; Wu, Kuang-Chong; Lee, Chih-Kung

    2010-08-01

    Electret-based electrostatic devices have been used in the electro-acoustic field for decades. Recently, the improvement of its charge retention has been of interest for application to the field of smart materials. Hence, the flexible electret-based loudspeaker has become an important research topic for futuristic applications such as 3C (computers, communications and consumer electronics) and smart curtains. The volume velocity and the on-axis sound pressure level (SPL) of an electret loudspeaker are the key parameters of interest. To study the vibration characteristics of an electret diaphragm, a finite element analysis (FEA) was introduced to facilitate the design. To validate the finite element analysis (FEA) model, an out-of plane full-field non-destructive optical detection method which incorporates electronic speckle pattern interferometry (ESPI), was applied to determine the vibration mode shape of thin film. By driving the electret loudspeaker at different frequencies, a corresponding vibration mode of interest was detected with the ESPI set-up. Both the simulations and the experimental results obtained on the measurement platform are detailed in this paper.

  19. Active vibration control of a single-stage spur gearbox

    NASA Astrophysics Data System (ADS)

    Dogruer, C. U.; Pirsoltan, Abbas K.

    2017-02-01

    The dynamic transmission error between driving and driven gears of a gear mechanism with torsional mode is induced by periodic time-varying mesh stiffness. In this study, to minimize the adverse effect of this time-varying mesh stiffness, a nonlinear controller which adjusts the torque acting on the driving gear is proposed. The basic approach is to modulate the input torque such that it compensates the periodic change in mesh stiffness. It is assumed that gears are assembled with high precision and gearbox is analyzed by a finite element software to calculate the mesh stiffness curve. Thus, change in the mesh stiffness, which is inherently nonlinear, can be predicted and canceled by a feed-forward loop. Then, remaining linear dynamics is controlled by pole placement techniques. Under these premises, it is claimed that any acceleration and velocity profile of the input shaft can be tracked accurately. Thereby, dynamic transmission error is kept to a minimum possible value and a spur gearbox, which does not emit much noise and vibration, is designed.

  20. Active low-frequency vertical vibration isolation system for precision measurements

    NASA Astrophysics Data System (ADS)

    Wu, Kang; Li, Gang; Hu, Hua; Wang, Lijun

    2017-01-01

    Low-frequency vertical vibration isolation systems play important roles in precision measurements to reduce seismic and environmental vibration noise. Several types of active vibration isolation systems have been developed. However, few researches focus on how to optimize the test mass install position in order to improve the vibration transmissibility. An active low-frequency vertical vibration isolation system based on an earlier instrument, the Super Spring, is designed and implemented. The system, which is simple and compact, consists of two stages: a parallelogram-shaped linkage to ensure vertical motion, and a simple spring-mass system. The theoretical analysis of the vibration isolation system is presented, including terms erroneously ignored before. By carefully choosing the mechanical parameters according to the above analysis and using feedback control, the resonance frequency of the system is reduced from 2.3 to 0.03 Hz, a reduction by a factor of more than 75. The vibration isolation system is installed as an inertial reference in an absolute gravimeter, where it improved the scatter of the absolute gravity values by a factor of 5. The experimental results verifies the improved performance of the isolation system, making it particularly suitable for precision experiments. The improved vertical vibration isolation system can be used as a prototype for designing high-performance active vertical isolation systems. An improved theoretical model of this active vibration isolation system with beam-pivot configuration is proposed, providing fundamental guidelines for vibration isolator design and assembling.

  1. Active control of sound fields in elastic cylinders by vibrational inputs

    NASA Technical Reports Server (NTRS)

    Jones, J. D.; Fuller, C. R.

    1987-01-01

    An experiment is performed to study the mechanisms of active control of sound fields in elastic cylinders via vibrational outputs. In the present method of control, a vibrational force input was used as the secondary control input to reduce the radiated acoustic field. For the frequencies considered, the active vibration technique provided good global reduction of interior sound even though only one actuator was used.

  2. Reduction of structural weight, costs and complexity of a control system in the active vibration reduction of flexible structures

    NASA Astrophysics Data System (ADS)

    Daraji, A. H.; Hale, J. M.

    2014-09-01

    This paper concerns the active vibration reduction of a flexible structure with discrete piezoelectric sensors and actuators in collocated pairs bonded to its surface. In this study, a new fitness and objective function is proposed to determine the optimal number of actuators, based on variations in the average closed loop dB gain margin reduction for all of the optimal piezoelectric pairs and on the modes that are required to be attenuated using the optimal linear quadratic control scheme. The aim of this study is to find the minimum number of optimally located sensor/actuator pairs, which can achieve the same vibration reduction as a greater number, in order to reduce the cost, complexity and power requirement of the control system. This optimization was done using a genetic algorithm. The technique may be applied to any lightly damped structure, and is demonstrated here by attenuating the first six vibration modes of a flat cantilever plate. It is shown that two sensor/actuator pairs, located and controlled optimally, give almost the same vibration reduction as ten pairs. These results are validated by comparing the open and closed loop time responses and actuator feedback voltages for various numbers of piezoelectric pairs using the ANSYS finite element package and a proportional differential control scheme.

  3. Interferometric examination of the vibration modes on stretchable plastic membrane imaging mirrors

    NASA Astrophysics Data System (ADS)

    Waddell, Peter; Stickland, Mathew; Mason, Steven; McKay, Stuart; Mair, Leslie S.

    1996-12-01

    The paper describes a simple interferometer which has been used to visualize the airborne noise induced, low frequency, very small amplitude, vibrations on thin plastic membrane mirrors. Plastic membrane concave imaging mirrors are the patented invention of the first named author and have been the subject of papers since 1983. The mirrors have already been used for inexpensive large aperture flow visualization systems and the transfer of images in holography. The mirrors are being used currently for high definition, natural color large aperture stereoscopy and self focused real imaging with no spectator glasses, i.e., 3D imaging systems. As the mirror diameter increases for the same type and thickness of membrane material then the fundamental resonant frequency decreases. For very large diameters the mirrors become susceptible to aerial noise of a few Hertz, this being equal to the fundamental resonant frequency. For the small mirror tested for this paper, the fundamental resonance was approximately 600 Hz. The mirror was, however, continually vibrating due to aerial room noise frequencies of between 1 Hz and 20 Hz. No proper nodal patterns can be seen, these only occur at frequencies above the fundamental. The vibrations are extremely small, requiring an interferometer to visualize and record amplitude and frequency. The vibration energy can be destroyed by several techniques. The mirrors have already been used for long exposure white light reflection holograms, effectively no vibrations at all on the mirror surface, achieved by destroying the vibration energy.

  4. Measurement of LiNbO3 Rectangular Plate Under Large Vibration Velocity of the First Longitudinal and Second Flexural Modes

    NASA Astrophysics Data System (ADS)

    Tamura, Hideki; Iwase, Masashi; Hirose, Seiji; Aoyagi, Manabu; Takano, Takehiro; Tomikawa, Yoshiro

    2008-05-01

    We have studied a miniature ultrasonic motor using a piezoelectric single-crystal LiNbO3. The crystal vibrator retains superior characteristics even when the vibrational velocity is large. On the other hand, a vibrator using a resonance mode shows no signs of an operating limit and fractures itself when the vibrational velocity exceeds the limit. Such behavior causes a problem in controlling the achievement of a large output power from the motor. Therefore we must investigate the vibrational characteristics at a high vibration level and at the fracture limit. In this study, the samples were examined for their vibrational characteristics at a high driving level and at the fracture limit. First, the characteristics of the resonance vibration of the first longitudinal and second flexural modes in an X128°-rotated Y-cut rectangular plate were measured. Second, to evaluate the difference caused by the cut angle of the X-rotation, the characteristics for the first longitudinal mode of X128°-, X135°-, X140°- and X155°-rotated Y-plates were measured; additionally, for each rotation-angle plate, we measured the characteristics of the rectangular plates whose longer side was directed along the x- or z‧-axis. In this paper, we describe the experimental results for the high-power characteristics and the fracture limits.

  5. Vibrational energy relaxation of the amide I mode of N-methylacetamide in D₂O studied through Born-Oppenheimer molecular dynamics.

    PubMed

    Farag, Marwa H; Bastida, Adolfo; Ruiz-López, Manuel F; Monard, Gérald; Ingrosso, Francesca

    2014-06-12

    The vibrational relaxation of the amide I mode of deuterated N-methylacetamide in D2O solution is studied through nonequilibrium simulations using the semiempirical Born-Oppenheimer molecular dynamics (SEBOMD) approach to describe the whole solute-solvent system. Relaxation pathways and lifetimes are determined using the instantaneous normal mode (INM) analysis. The relaxation of the amide I mode is characterized by three different time scales; most of the excess energy (80%) is redistributed through intramolecular vibrational energy redistribution processes, with a smaller contribution (20%) of intermolecular energy flowing into the solvent. The amide II mode is found to contribute modestly (7%) to the relaxation mechanism. The amide I mode and the total vibrational energy decay curves obtained using SEBOMD and INM are in satisfactory agreement with the experimental measurements.

  6. Vibrational mode-specific photochemical reaction dynamics of chlorine dioxide in solution

    NASA Astrophysics Data System (ADS)

    Fidder, Henk; Tschirschwitz, Frank; Dühr, Oliver; Nibbering, Erik T. J.

    2001-04-01

    We study the reaction dynamics of OClO in cyclohexane, acetonitrile, and water by femtosecond pump-probe spectroscopy. In all solvents we observe a quantum beat in a 403 nm one-color pump-probe experiment with 55 fs temporal resolution, that decays with a 1.3-1.5 ps time constant. From this we conclude that, in contrast to previous reports, not all OClO molecules dissociate after excitation with 403 nm light. In both cyclohexane and water we observe in the 403 nm experiment an increase in stimulated emission between 0.5 and 2 ps that appears to be connected to the quantum beat decay. We explain these results as the consequence of vibrational relaxation of the bending mode of OClO. Relaxation from (ν1,1,0) to (ν1,0,0) leads to population of a state with a two times higher transition dipole moment, which accounts for the increased stimulated emission. Further proof that not all OClO molecules dissociate immediately after excitation is found in the identification of a stimulated emission contribution in femtosecond 400 nm pump/800 nm probe experiments, which also decays with about a 1.5 ps time constant. Femtosecond 400 nm pump/267 nm probe measurements indicate that a fraction of the OClO molecules dissociate very rapidly, with dissociation times of ⩽60, 80, and 140 fs, in acetonitrile, water, and cyclohexane, respectively. An anisotropy decay is resolved at 267 nm of the formed ClO in water and cyclohexane, with anisotropy decay times of 0.17 and 0.27 ps, respectively. In all solvents a fraction of the ClO+O fragments recombine, with time constants of 1.2 and 4.1 ps in water, 6.0 ps in acetonitrile, and 8.9 ps in cyclohexane. In acetonitrile a secondary dissociation pathway is identified with a 2.1 ps time constant. This pathway might also be responsible for the biexponentiality of the recombination process in water. In particular, in acetonitrile and cyclohexane the data indicate cage escape of a significant amount of fragments.

  7. Active vibration and balance system for closed cycle thermodynamic machines

    NASA Technical Reports Server (NTRS)

    Qiu, Songgang (Inventor); Augenblick, John E. (Inventor); Peterson, Allen A. (Inventor); White, Maurice A. (Inventor)

    2004-01-01

    An active balance system is provided for counterbalancing vibrations of an axially reciprocating machine. The balance system includes a support member, a flexure assembly, a counterbalance mass, and a linear motor or an actuator. The support member is configured for attachment to the machine. The flexure assembly includes at least one flat spring having connections along a central portion and an outer peripheral portion. One of the central portion and the outer peripheral portion is fixedly mounted to the support member. The counterbalance mass is fixedly carried by the flexure assembly along another of the central portion and the outer peripheral portion. The linear motor has one of a stator and a mover fixedly mounted to the support member and another of the stator and the mover fixedly mounted to the counterbalance mass. The linear motor is operative to axially reciprocate the counterbalance mass. A method is also provided.

  8. Compact Active Vibration Control System for a Flexible Panel

    NASA Technical Reports Server (NTRS)

    Schiller, Noah H. (Inventor); Cabell, Randolph H. (Inventor); Perey, Daniel F. (Inventor)

    2014-01-01

    A diamond-shaped actuator for a flexible panel has an inter-digitated electrode (IDE) and a piezoelectric wafer portion positioned therebetween. The IDE and/or the wafer portion are diamond-shaped. Point sensors are positioned with respect to the actuator and measure vibration. The actuator generates and transmits a cancelling force to the panel in response to an output signal from a controller, which is calculated using a signal describing the vibration. A method for controlling vibration in a flexible panel includes connecting a diamond-shaped actuator to the flexible panel, and then connecting a point sensor to each actuator. Vibration is measured via the point sensor. The controller calculates a proportional output voltage signal from the measured vibration, and transmits the output signal to the actuator to substantially cancel the vibration in proximity to each actuator.

  9. Determining the Posture and Vibration Frequency that Maximize Pelvic Floor Muscle Activity During Whole-Body Vibration

    PubMed Central

    Lee, Juhyun; Lee, Kyeongjin; Song, Changho

    2016-01-01

    Background The aim of this study was to investigate the electromyogram (EMG) response of pelvic floor muscle (PFM) to whole-body vibration (WBV) while using different body posture and vibration frequencies. Material/Methods Thirteen healthy adults (7 men, 6 women) voluntarily participated in this cross-sectional study in which EMG data from PFM were collected in a total of 12 trials for each subject (4 body postures, 3 vibration frequencies). Pelvic floor EMG activity was recorded using an anal probe. The rating of perceived exertion (RPE) was assessed with a modified Borg scale. Results We found that vibration frequency, body posture, and muscle stimulated had a significant effect on the EMG response. The PFM had high activation at 12 Hz and 26 Hz (p<0.05). PFM activation significantly increased with knee flexion (p<0.05). The RPE significantly increased with increased frequency (p<0.05). Conclusions The knee flexion angle of 40° at 12 Hz frequency can be readily promoted in improving muscle activation during WBV, and exercise would be performed effectively. Based on the results of the present investigation, sports trainers and physiotherapists may be able to optimize PFM training programs involving WBV. PMID:27787476

  10. Vibrational mode analysis and heat capacity calculation of K2SiSi3O9-wadeite

    NASA Astrophysics Data System (ADS)

    Chang, Linlin; Liu, Xi; Liu, Hong; Kojitani, Hiroshi; Wang, Sicheng

    2013-07-01

    The phonon dispersions and vibrational density of state (VDoS) of the K2SiSi3O9-wadeite (Wd) have been calculated by the first-principles method using density functional perturbation theory. The vibrational frequencies at the Brillouin zone center are in good correspondence with the Raman and infrared experimental data. The calculated VDoS was then used in conjunction with a quasi-harmonic approximation to compute the isobaric heat capacity ( C P ) and vibrational entropy (S_{298}0), yielding C P ( T) = 469.4(6) - 2.90(2) × 103 T -0.5 - 9.5(2) × 106 T -2 + 1.36(3) × 109 T -3 for the T range of 298-1,000 K and S_{298}0 = 250.4 J mol-1 K-1. In comparison, these thermodynamic properties were calculated by a second method, the classic Kieffer's lattice vibrational model. On the basis of the vibrational mode analysis facilitated by the first-principles simulation result, we developed a new Kieffer's model for the Wd phase. This new Kieffer's model yielded C P ( T) = 475.9(6) - 3.15(2) × 103 T -0.5 - 8.8(2) × 106 T -2 + 1.31(3) × 109 T -3 for the T range of 298-1,000 K and S_{298}0 = 249.5(40) J mol-1 K-1, which are in good agreement both with the results from our first method containing the component of the first-principles calculation and with some calorimetric measurements in the literature.

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

    NASA Astrophysics Data System (ADS)

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

    1992-09-01

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

  12. Changes in EMG activity in the upper trapezius muscle due to local vibration exposure.

    PubMed

    Aström, Charlotte; Lindkvist, Markus; Burström, Lage; Sundelin, Gunnevi; Karlsson, J Stefan

    2009-06-01

    Exposure to vibration is suggested as a risk factor for developing neck and shoulder disorders in working life. Mechanical vibration applied to a muscle belly or a tendon can elicit a reflex muscle contraction, also called tonic vibration reflex, but the mechanisms behind how vibration could cause musculoskeletal disorders has not yet been described. One suggestion has been that the vibration causes muscular fatigue. This study investigates whether vibration exposure changes the development of muscular fatigue in the trapezius muscle. Thirty-seven volunteers (men and women) performed a sub-maximal isometric shoulder elevation for 3 min. This was repeated four times, two times with induced vibration and two times without. Muscle activity was measured before and after each 3-min period to look at changes in the electromyography parameters. The result showed a significantly smaller mean frequency decrease when performing the shoulder elevation with vibration (-2.51 Hz) compared to without vibration (-4.04 Hz). There was also a slightly higher increase in the root mean square when exposed to vibration (5.7% of maximal voluntary contraction) compared to without (3.8% of maximal voluntary contraction); however, this was not statistically significant. The results of the present study indicate that short-time exposure to vibration has no negative acute effects on the fatiguing of upper trapezius muscle.

  13. Active-passive integrated vibration control for control moment gyros and its application to satellites

    NASA Astrophysics Data System (ADS)

    Zhang, Yao; Zang, Yue; Li, Mou; Wang, Youyi; Li, Wenbo

    2017-04-01

    The strategy of active-passive integrated vibration control on the truss enveloping control moment gyroscopes (CMGs) is presented and its characteristics of time domain and frequency domain are analyzed. Truss enveloping CMGs contains pyramid-type CMGs, which are enveloped by multiple struts. These struts can be employed to realize the active-passive integrated vibration control. In addition, the struts of the trusses can maintain the working space of CMGs. Firstly, the disturbance characteristics of CMGs are analyzed considering static and dynamic imbalances of the CMG's rotor; then, an active-passive integrated vibration isolation truss structure is developed based on its characteristics. This structure can restrain the CMG vibration as much as possible and reduce its influence on the photographic quality of optical payloads. Next, the dynamic model of the active-passive vibration isolation truss structure is established. The frequency domain analysis of this model shows that the active-passive integrated vibration control method can restrain the high-frequency vibration and also improve the characteristics of low-frequency vibration. Finally, the dynamic model for the whole satellite is built with this type of CMGs. The time domain simulations of satellite attitude control verify the attitude control improvements resulting from the CMGs vibration control strategy.

  14. Vibrational Study of Melatonin and its Radioprotective Activity towards Hydroxyl Radical

    NASA Astrophysics Data System (ADS)

    Singh, Gurpreet; Kaur, Sarvpreet; Saini, G. S. S.

    2011-12-01

    Vibrational study of Melatonin (N-acetyl 5-methoxytrypatamin) was done using FTIR and Raman spectroscopy. DFT calculations were employed to the structural analysis of melatonin and to the end products. The theoretical calculations confirmed the different observed vibrational modes. The optimized structure energy calculations of the different end products confirmed the most probable site of the hydroxyl radical attack is the hydrogen attached to nitrogen present in the indole ring.

  15. Modeling and experimental vibration analysis of nanomechanical cantilever active probes

    NASA Astrophysics Data System (ADS)

    Salehi-Khojin, Amin; Bashash, Saeid; Jalili, Nader

    2008-08-01

    Nanomechanical cantilever (NMC) active probes have recently received increased attention in a variety of nanoscale sensing and measurement applications. Current modeling practices call for a uniform cantilever beam without considering the intentional jump discontinuities associated with the piezoelectric layer attachment and the NMC cross-sectional step. This paper presents a comprehensive modeling framework for modal characterization and dynamic response analysis of NMC active probes with geometrical discontinuities. The entire length of the NMC is divided into three segments of uniform beams followed by applying appropriate continuity conditions. The characteristics matrix equation is then used to solve for system natural frequencies and mode shapes. Using an equivalent electromechanical moment of a piezoelectric layer, forced motion analysis of the system is carried out. An experimental setup consisting of a commercial NMC active probe from Veeco and a state-of-the-art microsystem analyzer, the MSA-400 from Polytec, is developed to verify the theoretical developments proposed here. Using a parameter estimation technique based on minimizing the modeling error, optimal values of system parameters are identified. Mode shapes and the modal frequency response of the system for the first three modes determined from the proposed model are compared with those obtained from the experiment and commonly used theory for uniform beams. Results indicate that the uniform beam model fails to accurately predict the actual system response, especially in multiple-mode operation, while the proposed discontinuous beam model demonstrates good agreement with the experimental data. Such detailed and accurate modeling framework can lead to significant enhancement in the sensitivity of piezoelectric-based NMC sensors for use in variety of sensing and imaging applications.

  16. High Resolution Spectroscopy of 1,2-Difluoroethane in a Molecular Beam: A Case Study of Vibrational Mode-Coupling

    DTIC Science & Technology

    1992-05-29

    Spectroscopy of 1,2- Difluoroethane in a Molecular Beam: A Case Study of Vibrational Mode-Coupling by Steven W. Mork, C. Cameron Miller, and Laura A...and sale; its distribution is unlimited. 92-14657 l9lll l l l , II a HIGH RESOLUTION SPECTROSCOPY OF 1,2- DIFLUOROETHANE IN A MOLECULAR BEAM: A CASE...14853-1301 Abstract The high resolution infrared spectrum of 1,2- difluoroethane (DFE) in a molecular beam has been obtained over the 2978-2996 cm-1

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

    NASA Technical Reports Server (NTRS)

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

    1991-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

    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.

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

    NASA Technical Reports Server (NTRS)

    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.

  20. Assignment of the Internal Vibrational Modes of C70 by Inelastic Neutron Scattering Spectroscopy and Periodic-DFT.

    PubMed

    Refson, Keith; Parker, Stewart F

    2015-10-01

    The fullerene C70 may be considered as the shortest possible nanotube capped by a hemisphere of C60 at each end. Vibrational spectroscopy is a key tool in characterising fullerenes, and C70 has been studied several times and spectral assignments proposed. Unfortunately, many of the modes are either forbidden or have very low infrared or Raman intensity, even if allowed. Inelastic neutron scattering (INS) spectroscopy is not subject to selection rules, and all the modes are allowed. We have obtained a new INS spectrum from a large sample recorded at the highest resolution available. An advantage of INS spectroscopy is that it is straightforward to calculate the spectral intensity from a model. We demonstrate that all previous assignments are incorrect in at least some respects and propose a new assignment based on periodic density functional theory (DFT) that successfully reproduces the INS, infrared, and Raman spectra.

  1. Experimental testing of a semi-active control scheme for vibration suppression

    NASA Astrophysics Data System (ADS)

    Taniwangsa, Wendy; Kelly, James M.

    1997-05-01

    An experimental investigation was performed on a semi-active control scheme that uses the rheological properties of electro-rheological fluids (ER-fluids) in squeeze-flow mode to control the dynamic behavior of single-degree-of-freedom (SDOF) systems. The reversible and very rapid changes in the mechanical properties of the fluid under variable voltage are exploited by using a control scheme that automatically turns 'on' and 'off' the electrical field as loads are applied. This control scheme rapidly adapts to any changes in the mechanical properties of the system, reducing the response of the structure for a wide range of excitation frequencies. The ER- fluid used in this study, Zeolite in silicone oil, was subjected to an electrical field range from one to five kV/mm. Tests were carried out for the 'off' system, the 'on' system, and the controlled system, and the experimental and analytical results were compared. The experimental results show that this control scheme is effective for reducing the vibration of the system. Other types of ER-fluid should be tested using this control scheme to investigate the most effective fluid for vibration suppression.

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

    ERIC Educational Resources Information Center

    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…

  3. Hybrid quantum/classical simulations of the vibrational relaxation of the amide I mode of N-methylacetamide in D2O solution.

    PubMed

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

    2012-03-08

    Hybrid quantum/classical molecular dynamics (MD) is applied to simulate the vibrational relaxation (VR) of the amide I mode of deuterated N-methylacetamide (NMAD) in aqueous (D(2)O) solution. A novel version of the vibrational molecular dynamics with quantum transitions (MDQT) treatment is developed in which the amide I mode is treated quantum mechanically while the remaining degrees of freedom are treated classically. The instantaneous normal modes of the initially excited NMAD molecule (INM(0)) are used as internal coordinates since they provide a proper initial partition of the system in quantum and classical subsystems. The evolution in time of the energy stored in each individual normal mode is subsequently quantified using the hybrid quantum-classical instantaneous normal modes (INM(t)). The identities of both the INM(0)s and the INM(t)s are tracked using the equilibrium normal modes (ENMs) as templates. The results extracted from the hybrid MDQT simulations show that the quantum treatment of the amide I mode accelerates the whole VR process versus pure classical simulations and gives better agreement with experiments. The relaxation of the amide I mode is found to be essentially an intramolecular vibrational redistribution (IVR) process with little contribution from the solvent, in agreement with previous theoretical and experimental studies. Two well-defined relaxation mechanisms are identified. The faster one accounts for ≈40% of the total vibrational energy that flows through the NMAD molecule and involves the participation of the lowest frequency vibrations as short-life intermediate modes. The second and slower mechanism accounts for the remaining ≈60% of the energy released and is associated to the energy flow through specific mid-range and high-frequency modes.

  4. Active vibration reduction of a flexible structure bonded with optimised piezoelectric pairs using half and quarter chromosomes in genetic algorithms

    NASA Astrophysics Data System (ADS)

    Daraji, A. H.; Hale, J. M.

    2012-08-01

    The optimal placement of sensors and actuators in active vibration control is limited by the number of candidates in the search space. The search space of a small structure discretized to one hundred elements for optimising the location of ten actuators gives 1.73 × 1013 possible solutions, one of which is the global optimum. In this work, a new quarter and half chromosome technique based on symmetry is developed, by which the search space for optimisation of sensor/actuator locations in active vibration control of flexible structures may be greatly reduced. The technique is applied to the optimisation for eight and ten actuators located on a 500×500mm square plate, in which the search space is reduced by up to 99.99%. This technique helps for updating genetic algorithm program by updating natural frequencies and mode shapes in each generation to find the global optimal solution in a greatly reduced number of generations. An isotropic plate with piezoelectric sensor/actuator pairs bonded to its surface was investigated using the finite element method and Hamilton's principle based on first order shear deformation theory. The placement and feedback gain of ten and eight sensor/actuator pairs was optimised for a cantilever and clamped-clamped plate to attenuate the first six modes of vibration, using minimization of linear quadratic index as an objective function.

  5. Frequencies and Normal Modes of Vibration of Benz[a]anthracene Radical Ions

    NASA Astrophysics Data System (ADS)

    Kubba, Rehab M.; Al-ani, Raghida I.; Shanshal, Muthana

    2005-03-01

    MINDO/3-FORCES calculations were carried out for the radical ions of benz[a]anthracene. Both ions exhibit Cs symmetry with C-C bond alternation in all four rings. The obtained equilibrium geometry was applied for the calculation of all 3N - 6 vibration frequencies of each ion, and for the analysis of their normal coordinates. The so calculated frequencies of the radical cation were close to the experimental frequencies and those of the ab initio calculations. They fall in the ranges νCHstr. (3034 - 3087 cm-1), νCCstr. (1237 - 1609 cm-1), δCH (1142 - 1216 cm-1). Interesting correlations could be obtained for the frequencies of similar vibrations, e. g. νsymCHstr. >νasymCHstr. Exception is the frequency of vibration of CHα in ring A for the radical cation and the same bond in ring D for the radical anion. The vibration frequencies for the CH bonds depend on the σ -electron densities of the corresponding carbon atoms, i. e. νCH.+str. >νCHstr. >νCH.-str., where σ -ρĊ+ >σ -ρC >σ -ρĊ- . For the C-C stretching vibrations the relation ν(C-C)str. >ν(C-C).-str. >ν(C-C).+str. holds, with the exception of the Cβ -Cβ bond, for which the relation ν(C-C)str. >ν(C-C).+str. >ν(C-C).-str. is found. As for the in-plane and out of-plane deformations, the following general correlations δ (CH) >δ (CH).- >δ (CH).+ and γ (CC) >γ (CC).- >γ (CC).+.

  6. Note: A three-dimension active vibration isolator for precision atom gravimeters

    SciTech Connect

    Zhou, Min-Kang; Xiong, Xin; Chen, Le-Le; Cui, Jia-Feng; Duan, Xiao-Chun; Hu, Zhong-Kun

    2015-04-15

    An ultra-low frequency active vibration isolator, simultaneously suppressing three-dimensional vibration noise, is demonstrated experimentally. The equivalent natural period of the isolator is 100 s and 12 s for the vertical and horizontal direction, respectively. The vibration noise in the vertical direction is about 50 times reduced during 0.2 and 2 Hz, and 5 times reduced in the other two orthogonal directions in the same frequency range. This isolator is designed for atom gravimeters, especially suitable for the gravimeter whose sensitivity is limited by vibration couplings.

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

    PubMed

    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.

  8. Raman study of the vibrational modes in ZnGeN2 (0001)

    NASA Astrophysics Data System (ADS)

    Blanton, Eric W.; Hagemann, Mark; He, Keliang; Shan, Jie; Lambrecht, Walter R. L.; Kash, Kathleen

    2017-02-01

    A Raman spectroscopy study was carried out on ZnGeN2 hexagonal single crystal (0001)-oriented platelets obtained by reaction of gaseous ammonia with a Zn-Ge-Sn liquid alloy at 758 °C. The sample geometry allowed measurement of the A2 and A1 Raman modes. First-principles calculations of the spectra were carried out using an improved pseudopotential. Measurements with crossed polarizers yielded spectra that agreed well with first-principles calculations of the A2 modes. Measurements with parallel polarizers should in principle provide the A1 L modes. However, for most of the Raman modes, the LO-TO splitting was calculated to be smaller than could be resolved experimentally, and for the few modes which were predicted to have larger LO-TO splittings, the LO mode was not observed. This absence is tentatively explained in terms of overdamped LO-plasmon coupling.

  9. On the Use of Active Higher Harmonic Blade Pitch Control for Helicopter Vibration Reduction,

    DTIC Science & Technology

    1980-06-01

    G., and Gabel, R.: Vibration Optimization of the CH-47C Helicopter Using NASTRAN . Symposium on Mathematical Modeling in Structural Engineering... helicopter . DESCRIPTION OF MODEL AND TESTS The basic wind tunnel model used in this investigation was the Structures Laboratory Aeroelastic Rotor...dynamically-scaled helicopter rotor model in which an active control system employing higher harmonic blade pitch was used for helicopter vibration

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

    SciTech Connect

    Motobayashi, Kenta; Kim, Yousoo; Arafune, Ryuichi; Ohara, Michiaki; Ueba, Hiromu; Kawai, Maki

    2014-05-21

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

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

    PubMed

    Motobayashi, Kenta; Kim, Yousoo; Arafune, Ryuichi; Ohara, Michiaki; Ueba, Hiromu; Kawai, Maki

    2014-05-21

    We present a novel reaction mechanism for a single adsorbed molecule that proceeds via simultaneous excitation of two different vibrational modes excited by inelastic tunneling electrons from a scanning tunneling microscope. Specifically, we analyze the dissociation of a single dimethyl disulfide (DMDS, (CH3S)2) molecule on Cu(111) by using a versatile theoretical method, which permits us to simulate reaction rates as a function of sample bias voltage. The reaction is induced by the excitation of C-H stretch and S-S stretch modes by a two-electron process at low positive bias voltages. However, at increased voltages, the dissociation becomes a single-electron process that excites a combination mode of these stretches, where excitation of the C-H stretch is the energy source and excitation of the S-S stretch mode enhances the anharmonic coupling rate. A much smaller dissociation yield (few orders of magnitude) at negative bias voltages is understood in terms of the projected density of states of a single DMDS on Cu(111), which reflects resonant excitation through the molecular orbitals.

  12. Calculation of Raman optical activity spectra for vibrational analysis.

    PubMed

    Mutter, Shaun T; Zielinski, François; Popelier, Paul L A; Blanch, Ewan W

    2015-05-07

    By looking back on the history of Raman Optical Activity (ROA), the present article shows that the success of this analytical technique was for a long time hindered, paradoxically, by the deep level of detail and wealth of structural information it can provide. Basic principles of the underlying theory are discussed, to illustrate the technique's sensitivity due to its physical origins in the delicate response of molecular vibrations to electromagnetic properties. Following a short review of significant advances in the application of ROA by UK researchers, we dedicate two extensive sections to the technical and theoretical difficulties that were overcome to eventually provide predictive power to computational simulations in terms of ROA spectral calculation. In the last sections, we focus on a new modelling strategy that has been successful in coping with the dramatic impact of solvent effects on ROA analyses. This work emphasises the role of complementarity between experiment and theory for analysing the conformations and dynamics of biomolecules, so providing new perspectives for methodological improvements and molecular modelling development. For the latter, an example of a next-generation force-field for more accurate simulations and analysis of molecular behaviour is presented. By improving the accuracy of computational modelling, the analytical capabilities of ROA spectroscopy will be further developed so generating new insights into the complex behaviour of molecules.

  13. Development of a Practical Broadband Active Vibration Control System

    NASA Technical Reports Server (NTRS)

    Schiller, Noah H.; Perey, Daniel F.; Cabell, Randolph H.

    2011-01-01

    The goal of this work is to develop robust, lightweight, and low-power control units that can be used to suppress structural vibration in flexible aerospace structures. In particular, this paper focuses on active damping, which is implemented using compact decentralized control units distributed over the structure. Each control unit consists of a diamond-shaped piezoelectric patch actuator, three miniature accelerometers, and analog electronics. The responses from the accelerometers are added together and then integrated to give a signal proportional to velocity. The signal is then inverted, amplified, and applied to the actuator, which generates a control force that is out of phase with the measured velocity. This paper describes the development of the control system, including a detailed description of the control and power electronics. The paper also presents experimental results acquired on a Plexiglas window blank. Five identical control units installed around the perimeter of the window achieved 10 dB peak reductions and a 2.4 dB integrated reduction of the spatially averaged velocity of the window between 500 and 3000 Hz.

  14. Multi-sensor control for 6-axis active vibration isolation

    NASA Astrophysics Data System (ADS)

    Thayer, Douglas Gary

    The goal of this research is to look at the two different parts of the challenge of active vibration isolation. First is the hardware that will be used to accomplish the task and improve performance. The cubic hexapod, or Stewart platform, has become a popular solution to the problem because of its ability to provide 6-axis vibration isolation with a relatively simple configuration. A number of these hexapods have been constructed at different research facilities around the country to address different missions, each with their own approach. Hood Technology Corporation and the University of Washington took the lessons learned from these designs and developed a new hexapod that addresses the requirements of the Jet Propulsion Laboratory's planned space borne interferometry missions. This system has unique mechanical design details and is built with 4 sensors in each strut. This, along with a real time computer to implement controllers, allows for a great deal of flexibility in controller design and research into sensor selection. Other unique design features include a very soft axial stiffness, a custom designed voice coil actuator with a large displacement capability and elastomeric flexures both for guiding the actuator and providing pivot points on each strut. The second part, and the primary area of this research, is to examine multi-sensor control strategies in an effort to improve the performance of the controllers, their stability and/or how implementable they are. Up to this point, the primary method of control for systems of this type has been classical, designing single-input, single output controller loops to be closed around each strut. But because of the geometry of the hexapod and the different problems that can occur with some sensors, the classical approach is limited in what it can accomplish. This research shows the benefits to be gained by going to a multiple sensor controller and implementing controllers that are designed using a frequency

  15. Dynamic characteristics of heat exchanger tubes vibrating in a tube support plate inactive mode

    SciTech Connect

    Jendrzejczyk, J.A.

    1984-06-01

    Tubes in shell-and-tube heat exchangers, including nuclear plant steam generators, derive their support from longitudinally positioned tube support plates (TSPs). Typically there is a clearance between the tube and TSP hole. Depending on design and fabrication tolerances, the tube may or may not contract all of the TSPs. Noncontact results in an inactive TSP which can lead to detrimental flow induced tube vibrations under certain conditions dependent on the resulting tube-TSP interaction dynamics and the fluid excitation forces. The purpose of this study is to investigate the tube-TSP interaction dynamics. Results of an experimental study of damping and natural frequency as functions of tube-TSP diametral clearance and TSP thickness are reported. Calculated values of damping ratio and frequency of a tube vibrating within an inactive TSP are also presented together with a comparison of calculated and experimental quantities.

  16. Dynamic characteristics of heat exchanger tubes vibrating in a tube support plate inactive mode

    SciTech Connect

    Jendrzejczyk, J.A.

    1985-01-01

    Tubes in shell-and-tube heat exchangers, including nuclear plant steam generators, derive their support from longitudinally positioned tube support plates (TSPs). Typically there is a clearance between the tube and TSP hole. Depending on design and fabrication tolerances, the tube may or may not contact all of the TSPs. Noncontact results in an inactive TSP which can lead to detrimental flow induced tube vibrations under certain conditions dependent on the resulting tube-TSP interaction dynamics and the fluid excitation forces. The purpose of this study is to investigate the tube-TSP interaction dynamics. Results of an experimental study of damping and natural frequency as functions of tube-TSP diametral clearance and TSP thickness are reported. Calculated values of damping ratio and frequency of a tube vibrating within an inactive TSP are also presented together with a comparison of calculated and experimetnal quantities.

  17. Infrared Spectroscopic Study of Vibrational Modes in Methylammonium Lead Halide Perovskites.

    PubMed

    Glaser, Tobias; Müller, Christian; Sendner, Michael; Krekeler, Christian; Semonin, Octavi E; Hull, Trevor D; Yaffe, Omer; Owen, Jonathan S; Kowalsky, Wolfgang; Pucci, Annemarie; Lovrinčić, Robert

    2015-08-06

    The organic cation and its interplay with the inorganic lattice underlie the exceptional optoelectronic properties of organo-metallic halide perovskites. Herein we report high-quality infrared spectroscopic measurements of methylammonium lead halide perovskite (CH3NH3Pb(I/Br/Cl)3) films and single crystals at room temperature, from which the dielectric function in the investigated spectral range is derived. Comparison with electronic structure calculations in vacuum of the free methylammonium cation allows for a detailed peak assignment. We analyze the shifts of the vibrational peak positions between the different halides and infer the extent of interaction between organic moiety and the surrounding inorganic cage. The positions of the NH3(+) stretching vibrations point to significant hydrogen bonding between the methylammonium and the halides for all three perovskites.

  18. Investigation of a cup-shaped ultrasonic transducer operated in the full-wave vibrational mode.

    PubMed

    Xu, Long

    2015-05-01

    Cup-shaped horn has significant applications in ultrasonic machining, such as continuous bonding of plastic sheet or strips. Generally, it is excited by a sandwich piezoelectric transducer and both together constitute a cup-shaped ultrasound transducer (CUT). To provide a concise theoretical model for its engineering applications, the equivalent circuit of the cup-shaped ultrasonic transducer is deduced and the resonance/anti-resonance frequency equations are obtained. Meanwhile, the vibrational characteristics of the cup-shaped ultrasonic transducer have been investigated by using the analytical and numerical methods, and then confirmed by the experiment. The results show that the cup-shaped horn has a distinctive equivalent circuit, and the cup-shaped ultrasonic transducer has a good vibrational performance.

  19. Study of vibrational modes in protonic conductor LaAlO{sub 3}

    SciTech Connect

    Sharma, Anupam Deep; Sinha, M. M.

    2015-08-28

    In this work, we are presenting the results of our theoretical investigation on the vibrational properties of LaAlO{sub 3} in its cubic phase by using lattice dynamical simulation method based on de Launey angular force (DAF) constant model to understand the role of phonon in this system. The calculated zone centre frequencies agree well with available existing results. The phonon dispersion curves of LaAlO{sub 3} in cubic phase are also drawn.

  20. Theory of cross phase modulation for the vibrational modes of trapped ions

    NASA Astrophysics Data System (ADS)

    Nie, X. Rebecca; Roos, Christian F.; James, Daniel F. V.

    2009-01-01

    We analyze nonlinear coupling between individual vibrational quanta for trapped ions. The nonlinear Coulomb interaction causes a Kerr-type Hamiltonian, for which we derive an analytical expression for the coupling constant χ. In contrast to a previously published formula [C.F. Roos, T. Monz, K. Kim, M. Riebe, H. Häffner, D.F.V. James, R. Blatt, Phys. Rev. A 77 (2008) 040302(R)], our result is in close agreement with experimental data.

  1. High precision particle mass sensing using microchannel resonators in the second vibration mode

    SciTech Connect

    Lee, Jungchul; Bryan, Andrea K.; Manalis, Scott R.

    2011-02-15

    An intrinsic uncertainty in particle mass sensing with the suspended microchannel resonator results from variation in a particle's position near the free end of the resonator. To circumvent this error we employ the second flexural bending mode. This mode exhibits additional frequency peaks while particles pass over the antinode, a point where the frequency shift is insensitive to the lateral position of the particle. We measure polystyrene beads with the first and second modes and confirm that the second mode sensing provides a narrower mass histogram. For 3 {mu}m diameter beads, second mode sensing at the antinode improves the coefficient of variation in buoyant mass from 1.76% to 1.05% for population measurements and from 1.40% to 0.53% for a single trapped particle.

  2. Active Control of Panel Vibrations Induced by a Boundary Layer Flow

    NASA Technical Reports Server (NTRS)

    Chow, Pao-Liu

    1998-01-01

    In recent years, active and passive control of sound and vibration in aeroelastic structures have received a great deal of attention due to many potential applications to aerospace and other industries. There exists a great deal of research work done in this area. Recent advances in the control of sound and vibration can be found in the several conference proceedings. In this report we will summarize our research findings supported by the NASA grant NAG-1-1175. The problems of active and passive control of sound and vibration has been investigated by many researchers for a number of years. However, few of the articles are concerned with the sound and vibration with flow-structure interaction. Experimental and numerical studies on the coupling between panel vibration and acoustic radiation due to flow excitation have been done by Maestrello and his associates at NASA/Langley Research Center. Since the coupled system of nonlinear partial differential equations is formidable, an analytical solution to the full problem seems impossible. For this reason, we have to simplify the problem to that of the nonlinear panel vibration induced by a uniform flow or a boundary-layer flow with a given wall pressure distribution. Based on this simplified model, we have been able to study the control and stabilization of the nonlinear panel vibration, which have not been treated satisfactorily by other authors. The vibration suppression will clearly reduce the sound radiation power from the panel. The major research findings will be presented in the next three sections. In Section II we shall describe our results on the boundary control of nonlinear panel vibration, with or without flow excitation. Section III is concerned with active control of the vibration and sound radiation from a nonlinear elastic panel. A detailed description of our work on the parametric vibrational control of nonlinear elastic panel will be presented in Section IV. This paper will be submitted to the Journal

  3. Fundamental Vibration Frequency and Damping Estimation: A Comparison Using the Random Decrement Method, the Empirical Mode Decomposition, and the HV Spectral Ratio Method for Local Site Characterization

    NASA Astrophysics Data System (ADS)

    Huerta-Lopez, C. I.; Upegui Botero, F. M.; Pulliam, J.; Willemann, R. J.; Pasyanos, M.; Schmitz, M.; Rojas Mercedes, N.; Louie, J. N.; Moschetti, M. P.; Martinez-Cruzado, J. A.; Suárez, L.; Huerfano Moreno, V.; Polanco, E.

    2013-12-01

    Site characterization in civil engineering demands to know at least two of the dynamic properties of soil systems, which are: (i) dominant vibration frequency, and (ii) damping. As part of an effort to develop understanding of the principles of earthquake hazard analysis, particularly site characterization techniques using non invasive/non destructive seismic methods, a workshop (Pan-American Advanced Studies Institute: New Frontiers in Geophysical Research: Bringing New Tools and Techniques to Bear on Earthquake Hazard Analysis and Mitigation) was conducted during july 15-25, 2013 in Santo Domingo, Dominican Republic by the alliance of Pan-American Advanced Studies Institute (PASI) and Incorporated Research Institutions for Seismology (IRIS), jointly supported by Department of Energy (DOE) and National Science Foundation (NSF). Preliminary results of the site characterization in terms of fundamental vibration frequency and damping are here presented from data collected during the workshop. Three different methods were used in such estimations and later compared in order to identify the stability of estimations as well as the advantage or disadvantage among these methodologies. The used methods were the: (i) Random Decrement Method (RDM), to estimate fundamental vibration frequency and damping simultaneously; (ii) Empirical Mode Decomposition (EMD), to estimate the vibration modes, and (iii) Horizontal to Vertical Spectra ratio (HVSR), to estimate the fundamental vibration frequency. In all cases ambient vibration and induced vibration were used.

  4. Active Outer Hair Cells Affect the Sound-Evoked Vibration of the Reticular Lamina

    NASA Astrophysics Data System (ADS)

    Jacob, Stefan; Fridberger, Anders

    2011-11-01

    It is well established that the organ of Corti uses active mechanisms to enhance its sensitivity and frequency selectivity. Two possible mechanisms have been identified, both capable of producing mechanical forces, which can alter the sound-evoked vibration of the hearing organ. However, little is known about the effect of these forces on the sound-evoked vibration pattern of the reticular lamina. Current injections into scala media were used to alter the amplitude of the active mechanisms in the apex of the guinea pig temporal bone. We used time-resolved confocal imaging to access the vibration pattern of individual outer hair cells. During positive current injection the the sound-evoked vibration of outer hair cell row three increased while row one showed a small decrease. Negative currents reversed the observed effect. We conclude that the outer hair cell mediated modification of reticular lamina vibration patterns could contribute to the inner hair cell stimulation.

  5. Terahertz disorder-localized rotational modes and lattice vibrational modes in the orientationally-disordered and ordered phases of camphor.

    PubMed

    Nickel, Daniel V; Ruggiero, Michael T; Korter, Timothy M; Mittleman, Daniel M

    2015-03-14

    The temperature-dependent terahertz spectra of the partially-disordered and ordered phases of camphor (C10H16O) are measured using terahertz time-domain spectroscopy. In its partially-disordered phases, a low-intensity, extremely broad resonance is found and is characterized using both a phenomenological approach and an approach based on ab initio solid-state DFT simulations. These two descriptions are consistent and stem from the same molecular origin for the broad resonance: the disorder-localized rotational correlations of the camphor molecules. In its completely ordered phase(s), multiple lattice phonon modes are measured and are found to be consistent with those predicted using solid-state DFT simulations.

  6. Vibrational study of a nucleoside analogue with antiviral activity, 5-chloro-2'-deoxyuridine, CDU.

    PubMed

    Bailey, L; Navarro, R; Hernanz, A

    1999-01-01

    The experimental FTIR and FT-Raman spectra of 5-chloro-2'-deoxyuridine have been assigned on the basis of normal coordinate analyses, in the light of observed and calculated wavenumbers and isotopic shifts. The results indicate that virtually all normal modes of IDU involve some degree of vibrational coupling between the chlorouracil base and the deoxyribose moiety.

  7. Acute Effects of Whole-Body Vibration on Trunk and Neck Muscle Activity in Consideration of Different Vibration Loads

    PubMed Central

    Perchthaler, Dennis; Hauser, Simon; Heitkamp, Hans-Christian; Hein, Tobias; Grau, Stefan

    2015-01-01

    The intention of this study was to systematically analyze the impact of biomechanical parameters in terms of different peak-to-peak displacements and knee angles on trunk and neck muscle activity during whole-body vibration (WBV). 28 healthy men and women (age 23 ± 3 years) performed four static squat positions (2 peak-to-peak displacements x 2 knee angles) on a side alternating vibration platform with and without vibration stimulus. Surface electromyography (EMG) was used to record the neuromuscular activity of the erector spinae muscle, the rectus abdominis muscle, and of the splenius muscle. EMG levels normalized to maximal voluntary contractions ranged between 3.2 – 27.2 % MVC during WBV. The increase in muscle activity caused by WBV was significant, particularly for the back muscles, which was up to 19.0 % MVC. The impact of the factor ‘condition’ (F-values ranged from 13.4 to 132.0, p ≤ 0.001) and of the factor ‘peak-to-peak displacement’ (F-values ranged from 6.4 to 69.0 and p-values from < 0.001 to 0.01) were statistically significant for each muscle tested. However, the factor ‘knee angle’ only affected the back muscles (F-value 10.3 and 7.3, p ≤ 0.01). The results of this study should give more information for developing effective and safe training protocols for WBV treatment of the upper body. Key points The maximum levels of muscle activity were significantly reached at high amplitudes at a vibration frequency of 30 Hz. WBV leads to a higher muscle activation of the lower back muscles than of the abdominal muscles. Both knee angles of 30° and 45° have similar effects on the vibration load and represent safe positions to prevent any actual harm. Certain combinations of the biomechanical variables have similar effects on the level of muscle activity. PMID:25729303

  8. Nuclear resonance vibrational spectroscopy reveals the FeS cluster composition and active site vibrational properties of an O2-tolerant NAD+-reducing [NiFe] hydrogenase

    DOE PAGES

    Lauterbach, Lars; Wang, Hongxin; Horch, Marius; ...

    2014-10-30

    Hydrogenases are complex metalloenzymes that catalyze the reversible splitting of molecular hydrogen into protons and electrons essentially without overpotential. The NAD+-reducing soluble hydrogenase (SH) from Ralstonia eutropha is capable of H2 conversion even in the presence of usually toxic dioxygen. The molecular details of the underlying reactions are largely unknown, mainly because of limited knowledge of the structure and function of the various metal cofactors present in the enzyme. Here, all iron-containing cofactors of the SH were investigated by 57Fe specific nuclear resonance vibrational spectroscopy (NRVS). Our data provide experimental evidence for one [2Fe2S] center and four [4Fe4S] clusters, whichmore » is consistent with the amino acid sequence composition. Only the [2Fe2S] cluster and one of the four [4Fe4S] clusters were reduced upon incubation of the SH with NADH. This finding explains the discrepancy between the large number of FeS clusters and the small amount of FeS cluster-related signals as detected by electron paramagnetic resonance spectroscopic analysis of several NAD+-reducing hydrogenases. For the first time, Fe–CO and Fe–CN modes derived from the [NiFe] active site could be distinguished by NRVS through selective 13C labeling of the CO ligand. This strategy also revealed the molecular coordinates that dominate the individual Fe–CO modes. The present approach explores the complex vibrational signature of the Fe–S clusters and the hydrogenase active site, thereby showing that NRVS represents a powerful tool for the elucidation of complex biocatalysts containing multiple cofactors.« less

  9. Reduction of the Radiating Sound of a Submerged Finite Cylindrical Shell Structure by Active Vibration Control

    PubMed Central

    Kim, Heung Soo; Sohn, Jung Woo; Jeon, Juncheol; Choi, Seung-Bok

    2013-01-01

    In this work, active vibration control of an underwater cylindrical shell structure was investigated, to suppress structural vibration and structure-borne noise in water. Finite element modeling of the submerged cylindrical shell structure was developed, and experimentally evaluated. Modal reduction was conducted to obtain the reduced system equation for the active feedback control algorithm. Three Macro Fiber Composites (MFCs) were used as actuators and sensors. One MFC was used as an exciter. The optimum control algorithm was designed based on the reduced system equations. The active control performance was then evaluated using the lab scale underwater cylindrical shell structure. Structural vibration and structure-borne noise of the underwater cylindrical shell structure were reduced significantly by activating the optimal controller associated with the MFC actuators. The results provide that active vibration control of the underwater structure is a useful means to reduce structure-borne noise in water. PMID:23389344

  10. Reduction of the radiating sound of a submerged finite cylindrical shell structure by active vibration control.

    PubMed

    Kim, Heung Soo; Sohn, Jung Woo; Jeon, Juncheol; Choi, Seung-Bok

    2013-02-06

    In this work, active vibration control of an underwater cylindrical shell structure was investigated, to suppress structural vibration and structure-borne noise in water. Finite element modeling of the submerged cylindrical shell structure was developed, and experimentally evaluated. Modal reduction was conducted to obtain the reduced system equation for the active feedback control algorithm. Three Macro Fiber Composites (MFCs) were used as actuators and sensors. One MFC was used as an exciter. The optimum control algorithm was designed based on the reduced system equations. The active control performance was then evaluated using the lab scale underwater cylindrical shell structure. Structural vibration and structure-borne noise of the underwater cylindrical shell structure were reduced significantly by activating the optimal controller associated with the MFC actuators. The results provide that active vibration control of the underwater structure is a useful means to reduce structure-borne noise in water.

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

    NASA Astrophysics Data System (ADS)

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

    1992-10-01

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

  12. Active tuning of stroke-induced vibrations by tennis players.

    PubMed

    Chadefaux, Delphine; Rao, Guillaume; Androuet, Philippe; Berton, Eric; Vigouroux, Laurent

    2016-09-06

    This paper investigates how tennis players control stroke-induced vibration. Its aim is to characterise how a tennis player deals with entering vibration waves or how he/she has the ability to finely adjust them. A specific experimental procedure was designed, based on simultaneously collecting sets of kinematic, vibration and electromyographic data during forehand strokes using various commercial rackets and stroke intensities. Using 14 expert players, a wide range of excitations at spectral and temporal levels were investigated. Energetic and spectral descriptors of stroke-induced vibration occurring at the racket handle and at the player's wrist and elbow were computed. Results indicated that vibrational characteristics are strongly governed by grip force and to a lower extent by the racket properties. Grip force management drives the amount of energy, as well as its distribution, into the forearm. Furthermore, hand-grip can be assimilated to an adaptive filter which can significantly modify the spectral parameters propagating into the player's upper limb. A significant outcome is that these spectral characteristics are as much dependent on the player as on the racket. This contribution opens up new perspectives in equipment manufacture by underlining the need to account for player/racket interaction in the design process.

  13. Quantitative Understanding of van der Waals Interactions by Analyzing the Adsorption Structure and Low-Frequency Vibrational Modes of Single Benzene Molecules on Silver.

    PubMed

    Yuan, Dingwang; Han, Zhumin; Czap, Gregory; Chiang, Chi-Lun; Xu, Chen; Ho, W; Wu, Ruqian

    2016-06-16

    The combination of a sub-Kelvin scanning tunneling microscope and density functional calculations incorporating van der Waals (vdW) corrections has been used successfully to probe the adsorption structure and low-frequency vibrational modes of single benzene molecules on Ag(110). The inclusion of optimized vdW functionals and improved C6-based vdW dispersion schemes in density functional theory is crucial for obtaining the correct adsorption structure and low-energy vibrational modes. These results demonstrate the emerging capability to quantitatively probe the van der Waals interactions between a physisorbed molecule and an inert substrate.

  14. Vibration Control in Turbomachinery Using Active Magnetic Journal Bearings

    NASA Technical Reports Server (NTRS)

    Knight, Josiah D.

    1996-01-01

    The effective use of active magnetic bearings for vibration control in turbomachinery depends on an understanding of the forces available from a magnetic bearing actuator. The purpose of this project was to characterize the forces as functions shaft position. Both numerical and experimental studies were done to determine the characteristics of the forces exerted on a stationary shaft by a magnetic bearing actuator. The numerical studies were based on finite element computations and included both linear and nonlinear magnetization functions. Measurements of the force versus position of a nonrotating shaft were made using two separate measurement rigs, one based on strain gage measurement of forces, the other based on deflections of a calibrated beam. The general trends of the measured principal forces agree with the predictions of the theory while the magnitudes of forces are somewhat smaller than those predicted. Other aspects of theory are not confirmed by the measurements. The measured forces in the normal direction are larger than those predicted by theory when the rotor has a normal eccentricity. Over the ranges of position examined, the data indicate an approximately linear relationship between the normal eccentricity of the shaft and the ratio of normal to principal force. The constant of proportionality seems to be larger at lower currents, but for all cases examined its value is between 0.14 and 0.17. The nonlinear theory predicts the existence of normal forces, but has not predicted such a large constant of proportionality for the ratio. The type of coupling illustrated by these measurements would not tend to cause whirl, because the coupling coefficients have the same sign, unlike the case of a fluid film bearing, where the normal stiffness coefficients often have opposite signs. They might, however, tend to cause other self-excited behavior. This possibility must be considered when designing magnetic bearings for flexible rotor applications, such as gas

  15. Assignment of terahertz vibrational modes of L-glutamine using density functional theory within generalized-gradient approximation

    NASA Astrophysics Data System (ADS)

    Zhang, Han; Zhang, Zhao-Hui; Zhao, Xiao-Yan; Zhang, Tian-Yao; Yan, Fang; Shen, Jiang

    2015-07-01

    The crystal structure of L-glutamine is stabilized by a three-dimensional network of intermolecular hydrogen bonds. We utilize plane-wave density functional theory lattice-dynamics calculations within the generalized-gradient approximation (GGA), Perdew-Burke-Ernzerhof (PBE), PBE for solids (PBEsol), PBE with Wu-Cohen exchange (WC), and dispersion-corrected PBE, to investigate the effect of these intermolecular contacts on the absorption spectra of glutamine in the terahertz frequency range. Among these calculations, the solid-state simulated results obtained using the WC method exhibit a good agreement with the measured absorption spectra, and the absorption features are assigned with the help of WC. This indicates that the vibrational modes of glutamine were related to the combination of intramolecular and intermolecular motions, the intramolecular modes were dominated by rocking or torsion involving functional groups; the intermolecular modes mainly result from the translational motions of individual molecules, and the rocking of the hydrogen-bonded functional groups. Project supported by the National Natural Science Foundation of China (Grant Nos. 61302007 and 60977065), the Fundamental Research Funds for the Central Universities of China (Grant No. FRF-SD-12-016A), and the Engineering Research Center of Industrial Spectrum Imaging of Beijing, China.

  16. Relationship Between Lower Limb Muscle Activity and Platform Acceleration During Whole-Body Vibration Exercise.

    PubMed

    Lienhard, Karin; Vienneau, Jordyn; Nigg, Sandro; Meste, Olivier; Colson, Serge S; Nigg, Benno M

    2015-10-01

    The purpose of this study was to identify the influence of different magnitudes and directions of the vibration platform acceleration on surface electromyography (sEMG) during whole-body vibration (WBV) exercises. Therefore, a WBV platform was used that delivers vertical vibrations by a side-alternating mode, horizontal vibrations by a circular mode, and vibrations in all 3 planes by a dual mode. Surface electromyography signals of selected lower limb muscles were measured in 30 individuals while they performed a static squat on a vibration platform. The WBV trials included 2 side-alternating trials (Side-L: 6 Hz, 2.5 mm; Side-H: 16 Hz, 4 mm), 2 circular trials (Circ-L: 14 Hz, 0.8 mm; Circ-H: 43 Hz, 0.8 mm), and 4 dual-mode trials that were the combinations of the single-mode trials (Side-L/Circ-L, Side-L/Circ-H, Side-H/Circ-L, Side-H/Circ-H). Furthermore, control trials without vibration were assessed, and 3-dimensional platform acceleration was quantified during the vibration. Significant increases in the root mean square of the sEMG (sEMGRMS) compared with the control trial were found in most muscles for Side-L/Circ-H (+17 to +63%, p ≤ 0.05), Side-H/Circ-L (+7 to +227%, p ≤ 0.05), and Side-H/Circ-H (+21 to +207%, p < 0.01) and in the lower leg muscles for Side-H (+35 to +138%, p ≤ 0.05). Furthermore, only the vertical platform acceleration showed a linear relationship (r = 0.970, p < 0.001) with the averaged sEMGRMS of the lower limb muscles. Significant increases in sEMGRMS were found with a vertical acceleration threshold of 18 m·s(-2) and higher. The present results emphasize that WBV exercises should be performed on a platform that induces vertical accelerations of 18 m·s(-2) and higher.

  17. Inertia-Wheel Vibration-Damping System

    NASA Technical Reports Server (NTRS)

    Fedor, Joseph V.

    1990-01-01

    Proposed electromechanical system would damp vibrations in large, flexible structure. In active vibration-damping system motors and reaction wheels at tips of appendages apply reaction torques in response to signals from accelerometers. Velocity signal for vibrations about one axis processes into control signal to oppose each of n vibrational modes. Various modes suppressed one at a time. Intended primarily for use in spacecraft that has large, flexible solar panels and science-instrument truss assembly, embodies principle of control interesting in its own right and adaptable to terrestrial structures, vehicles, and instrument platforms.

  18. Effect of vertical active vibration isolation on tracking performance and on ride qualities

    NASA Technical Reports Server (NTRS)

    Dimasi, F. P.; Allen, R. E.; Calcaterra, P. C.

    1972-01-01

    An investigation to determine the effect on pilot performance and comfort of an active vibration isolation system for a commercial transport pilot seat is reported. The test setup consisted of: a hydraulic shaker which produced random vertical vibration inputs; the active vibration isolation system; the pilot seat; the pilot control wheel and column; the side-arm controller; and a two-axis compensatory tracking task. The effects of various degrees of pilot isolation on short-term (two-minute) tracking performance and comfort were determined.

  19. Electromechanical simulation and test of rotating systems with magnetic bearing or piezoelectric actuator active vibration control

    NASA Technical Reports Server (NTRS)

    Palazzolo, Alan B.; Tang, Punan; Kim, Chaesil; Manchala, Daniel; Barrett, Tim; Kascak, Albert F.; Brown, Gerald; Montague, Gerald; Dirusso, Eliseo; Klusman, Steve

    1994-01-01

    This paper contains a summary of the experience of the authors in the field of electromechanical modeling for rotating machinery - active vibration control. Piezoelectric and magnetic bearing actuator based control are discussed.

  20. Prebending effects upon the vibrational modes of thermally prestressed planar beams

    NASA Astrophysics Data System (ADS)

    Treyssède, Fabien

    2007-10-01

    In this paper, the linear vibrations of thermally prestressed beams are studied including the effects of predisplacement due to prebending and initial imperfections. Only low prestressed states far from the buckling stage are considered, one of the motivations of this paper being the issue of taking into account climatic temperature effects in damage detection based on modal techniques. A brief general review is first presented in order to give some theoretical and physical insights upon structural vibrations superimposed on an initial static state. Both the total Lagrangian and the updated Lagrangian formulations are applied to a planar Euler-Bernouli beam under the assumption of small prestrains and large predisplacements. The governing equilibrium equations are solved using a finite element method. Some illustrative numerical results are given. The model is then validated through experiments inside a climatic chamber. It is concluded that in addition to the axial prestress, the presence of prebending is also likely to have a significant effect upon some eigenfrequencies, even in the case of rather small predisplacements.

  1. Observation of Localized Vibrational Modes of Graphene Nanodomes by Inelastic Atom Scattering.

    PubMed

    Maccariello, D; Al Taleb, A; Calleja, F; Vázquez de Parga, A L; Perna, P; Camarero, J; Gnecco, E; Farías, D; Miranda, R

    2016-01-13

    Inelastic helium atom scattering (HAS) is suitable to determine low-energy (few meV) vibrations spatially localized on structures in the nanometer range. This is illustrated for the nanodomes that appear often on graphene (Gr) epitaxially grown on single crystal metal surfaces. The nature of the inelastic losses observed in Gr/Ru(0001) and Gr/Cu/Ru(0001) has been clarified by intercalation of Cu below the Gr monolayer, which decouples the Gr layer from the Ru substrate and changes substantially the out-of-plane, flexural phonon dispersion of epitaxial Gr, while maintaining the nanodomes and their localized vibrations. He diffraction proves that the Cu-intercalated Gr layer is well ordered structurally, while scanning tunneling microscopy reveals the persistence of the (slightly modified) periodic array of Gr nanodomes. A simple model explains the order of magnitude of the energy losses associated with the Gr nanodomes and their size dependence. The dispersionless, low-energy phonon branches may radically alter the transport of heat in intercalated Gr.

  2. Dynamical properties of LiI.D2O. II. Vibrational modes and disordering effects

    NASA Astrophysics Data System (ADS)

    Migliardo, P.; Romano, G. F.; Aliotta, F.; Bartolotta, A.; di Marco, G.

    1987-12-01

    The vibrational dynamics of α-phase lithium iodide monodeuterate (LID) is investigated by Raman scattering as a function of temperature. A simple model is presented in order to explain the linkage between the D2O reorientation and the Li+ hopping motion in the superionic α form. The internal O-D stretching and D2O bending regions are analyzed, within this model, by a suitable deconvolution of the symmetric lines. Spectral contributions that might originate from two possible polarization states of the D2O molecule are discovered. Raman spectra of the melt, both in the polarized (VV) and depolarized (VH) geometries, are also presented. The experimental data reveal that the melt, in spite of stronger anharmonicity effects, exhibits the same local order which is found in the α phase. Furthermore, a measurement performed at a fixed temperature (T=-70 °C) as a function of time shows a dependence of the spectral features on time, which confirms the existence of a structural phase transition towards an orthorhombic β form, as also suggested by neutron diffraction data. The low-frequency translational region shows the characteristic broad features of a density of vibrational states both in the α phase and in the melt, thus confirming the highly cooperative nature of the dynamics of the system.

  3. Vibrational eigenvalues and eigenfunctions for planar acetylene by wave-packet propagation, and its mode-selective infrared excitation

    NASA Astrophysics Data System (ADS)

    Liu, Li; Muckerman, James T.

    1997-09-01

    Vibrational eigenvalues with estimated errors <5×10-2 cm-1 and their corresponding eigenfunctions for J=0 5D (planar) acetylene modeled by the Halonen-Child-Carter potential-energy surface are obtained using an energy-shifted, imaginary-time Lanczos propagation of symmetry-adapted wave packets. A lower resolution (˜4 cm-1) vibrational eigenspectrum of the system is also calculated by the Fourier transform of the autocorrelation of an appropriate wave packet. The eigenvalues from both approaches are in excellent agreement. The wave function of the molecule is represented in a direct-product discrete variable representation (DVR) with nearly 300 000 grid points. Our results are compared with the previously reported theoretical and experimental values. We use our 69 computed eigenstates as a basis to perform an optimal control simulation of selective two-photon excitation of the symmetric CH-stretch mode with an infrared, linearly polarized, transform-limited, and subpicosecond-picosecond laser pulse. The resulting optimal laser pulses, which are then tested on the full DVR grid, fall within the capabilities of current powerful, subpicosecond, and tunable light sources.

  4. Atomistic simulations of ammonium-based protic ionic liquids: steric effects on structure, low frequency vibrational modes and electrical conductivity.

    PubMed

    Sunda, Anurag Prakash; Mondal, Anirban; Balasubramanian, Sundaram

    2015-02-14

    Protic ionic liquids (PILs) are of great interest as electrolytes in various energy applications. Molecular dynamics simulations of trialkylammonium (with varying alkyl group such as methyl, ethyl, and n-propyl) triflate PILs are performed to characterize the influence of the alkyl group on the acidic site (N-H) of the ammonium cation. Spatial distribution function of anions over this site on the cation reveals significant influence of the length of alkyl tail on intermolecular structure. Vibrational density of states and normal modes are calculated for bulk liquids to probe atomic displacements in the far infrared region. The observed N-H···O hydrogen bond stretching vibration in 155-165 cm(-1) frequency region agrees well with experiments. Trends in electrical conductivity calculated using Nernst-Einstein and Green-Kubo relation are in qualitative agreement with experiments. The self-diffusion coefficient and the electrical conductivity is highest for N,N-dimethyl-N-ethylammonium triflate ([N112][TfO]) and is lowest for N,N-di-n-propyl-N-methylammonium triflate ([N133][TfO]) IL.

  5. Complete assignment of the vibrational modes of C60 by inelastic neutron scattering spectroscopy and periodic-DFT.

    PubMed

    Parker, Stewart F; Bennington, Stephen M; Taylor, Jon W; Herman, Henryk; Silverwood, Ian; Albers, Peter; Refson, Keith

    2011-05-07

    In this paper we exploit the complementarity of inelastic neutron scattering (INS), infrared and Raman spectroscopies with ab initio calculations to generate an updated assignment of the vibrational modes of C(60). We have carried out periodic-DFT calculations of the high temperature face centred cubic phase modelled as the standard structure and also of the low temperature simple cubic phase, the latter for the first time. Our assignment differs from all previous work, however, it is the only one that is able to successfully reproduce the INS spectrum in terms of both transition energies and intensities. In addition to the INS spectrum we are also able to quantitatively simulate the major features of the infrared and Raman spectra in the high temperature phase and the infrared spectrum in the low temperature phase.

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

    NASA Astrophysics Data System (ADS)

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

    2016-01-01

    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.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

  7. Active Vibration Reduction of Titanium Alloy Fan Blades (FAN1) Using Piezoelectric Materials

    NASA Technical Reports Server (NTRS)

    Choi, Benjamin; Kauffman, Jeffrey; Duffy, Kirsten; Provenza, Andrew; Morrison, Carlos

    2010-01-01

    The NASA Glenn Research Center is developing smart adaptive structures to improve fan blade damping at resonances using piezoelectric (PE) transducers. In this paper, a digital resonant control technique emulating passive shunt circuits is used to demonstrate vibration reduction of FAN1 Ti real fan blade at the several target modes. Single-mode control and multi-mode control using one piezoelectric material are demonstrated. Also a conceptual study of how to implement this digital control system into the rotating fan blade is discussed.

  8. Optimal semi-active vibration absorber for harmonic excitation based on controlled semi-active damper

    NASA Astrophysics Data System (ADS)

    Weber, F.

    2014-09-01

    The semi-active vibration absorber (SVA) based on controlled semi-active damper is formulated to realize the behaviour of the passive undamped vibration absorber tuned to the actual harmonic disturbing frequency. It is shown that the controlled stiffness force, which is emulated by the semi-active damper to realize the precise real-time frequency tuning of the SVA, is unpreventably combined with the generation of undesirable damping in the semi-active damper whereby the SVA does not behave as targeted. The semi-active stiffness force is therefore optimized for minimum primary structure response. The results point out that the optimal semi-active stiffness force reduces the undesirable energy dissipation in the SVA at the expenses of slight imprecise frequency tuning. Based on these findings, a real-time applicable suboptimal SVA is formulated that also takes the relative motion constraint of real mass dampers into account. The results demonstrate that the performance of the suboptimal SVA is closer to that of the active solution than that of the passive mass damper.

  9. Low-Frequency Mode Activity of Heme: Femtosecond Coherence Spectroscopy of Iron Porphine Halides and Nitrophorin

    PubMed Central

    Kubo, Minoru; Gruia, Flaviu; Benabbas, Abdelkrim; Barabanschikov, Alexander; Montfort, William R.; Maes, Estelle M.; Champion, Paul M.

    2009-01-01

    The low-frequency mode activity of metalloporphyrins has been studied for iron porphine-halides (Fe(P)(X), X = Cl, Br) and nitrophorin 4 (NP4) using femtosecond coherence spectroscopy (FCS) in combination with polarized resonance Raman spectroscopy and density functional theory (DFT). It is confirmed that the mode symmetry selection rules for FCS are the same as for Raman scattering and that both Franck-Condon and Jahn-Teller mode activities are observed for Fe(P)(X) under Soret resonance conditions. The DFT-calculated low-frequency (20-400 cm-1) modes, and their frequency shifts upon halide substitution, are in good agreement with experimental Raman and coherence data, so that mode assignments can be made. The doming mode is located at ~80 cm-1 for Fe(P)(Cl) and at ~60 cm-1 for Fe(P)(Br). NP4 is also studied with coherence techniques, and the NO-bound species of ferric and ferrous NP4 display a mode at ~30-40 cm-1 that is associated with transient heme doming motion following NO photolysis. The coherence spectra of three ferric derivatives of NP4 with different degrees of heme ruffling distortion are also investigated. We find a mode at ~60 cm-1 whose relative intensity in the coherence spectra depends quadratically on the magnitude of the ruffling distortion. To quantitatively account for this correlation, a new “distortion-induced” Raman enhancement mechanism is presented. This mechanism is unique to low-frequency “soft modes” of the molecular framework that can be distorted by environmental forces. These results demonstrate the potential of FCS as a sensitive probe of dynamic and functionally important nonplanar heme vibrational excitations that are induced by the protein environmental forces or by the chemical reactions in the aqueous phase. PMID:18597456

  10. Active Vibration Reduction of the Advanced Stirling Convertor

    NASA Technical Reports Server (NTRS)

    Wilson, Scott D.; Metscher, Jonathan F.; Schifer, Nicholas A.

    2016-01-01

    Stirling Radioisotope Power Systems (RPS) are being developed as an option to provide power on future space science missions where robotic spacecraft will orbit, flyby, land or rove. A Stirling Radioisotope Generator (SRG) could offer space missions a more efficient power system that uses one fourth of the nuclear fuel and decreases the thermal footprint compared to the current state of the art. The Stirling Cycle Technology Development (SCTD) Project is funded by the RPS Program to developing Stirling-based subsystems, including convertors and controller maturation efforts that have resulted in high fidelity hardware like the Advanced Stirling Radioisotope Generator (ASRG), Advanced Stirling Convertor (ASC), and ASC Controller Unit (ACU). The SCTD Project also performs research to develop less mature technologies with a wide variety of objectives, including increasing temperature capability to enable new environments, improving system reliability or fault tolerance, reducing mass or size, and developing advanced concepts that are mission enabling. Active vibration reduction systems (AVRS), or "balancers", have historically been developed and characterized to provide fault tolerance for generator designs that incorporate dual-opposed Stirling convertors or enable single convertor, or small RPS, missions. Balancers reduce the dynamic disturbance forces created by the power piston and displacer internal moving components of a single operating convertor to meet spacecraft requirements for induced disturbance force. To improve fault tolerance for dual-opposed configurations and enable single convertor configurations, a breadboard AVRS was implemented on the Advanced Stirling Convertor (ASC). The AVRS included a linear motor, a motor mount, and a closed-loop controller able to balance out the transmitted peak dynamic disturbance using acceleration feedback. Test objectives included quantifying power and mass penalty and reduction in transmitted force over a range of ASC

  11. Active Vibration Reduction of the Advanced Stirling Convertor

    NASA Technical Reports Server (NTRS)

    Wilson, Scott D.; Metscher, Jonathan F.; Schifer, Nicholas A.

    2016-01-01

    Stirling Radioisotope Power Systems (RPS) are being developed as an option to provide power on future space science missions where robotic spacecraft will orbit, flyby, land or rove. A Stirling Radioisotope Generator (SRG) could offer space missions a more efficient power system that uses one fourth of the nuclear fuel and decreases the thermal footprint compared to the current state of the art. The Stirling Cycle Technology Development (SCTD) Project is funded by the RPS Program to developing Stirling-based subsystems, including convertors and controller maturation efforts that have resulted in high fidelity hardware like the Advanced Stirling Radioisotope Generator (ASRG), Advanced Stirling Convertor (ASC), and ASC Controller Unit (ACU). The SCTD Project also performs research to develop less mature technologies with a wide variety of objectives, including increasing temperature capability to enable new environments, improving system reliability or fault tolerance, reducing mass or size, and developing advanced concepts that are mission enabling. Active vibration reduction systems (AVRS), or "balancers", have historically been developed and characterized to provide fault tolerance for generator designs that incorporate dual-opposed Stirling convertors or enable single convertor, or small RPS, missions. Balancers reduce the dynamic disturbance forces created by the power piston and displacer internal moving components of a single operating convertor to meet spacecraft requirements for induced disturbance force. To improve fault tolerance for dual-opposed configurations and enable single convertor configurations, a breadboard AVRS was implemented on the Advanced Stirling Convertor (ASC). The AVRS included a linear motor, a motor mount, and a closed-loop controller able to balance out the transmitted peak dynamic disturbance using acceleration feedback. Test objectives included quantifying power and mass penalty and reduction in transmitted force over a range of ASC

  12. Active control of panel vibrations induced by a boundary layer flow

    NASA Technical Reports Server (NTRS)

    Chow, Pao-Liu

    1995-01-01

    The problems of active and passive control of sound and vibration has been investigated by many researchers for a number of years. However, few of the articles are concerned with the sound and vibration with flow-structure interaction. Experimental and numerical studies on the coupling between panel vibration and acoustic radiation due to flow excitation have been done by Maestrello and his associates at NASA/Langley Research Center. Since the coupled system of nonlinear partial differential equations is formidable, an analytical solution to the full problem seems impossible. For this reason, we have to simplify the problem to that of the nonlinear panel vibration induced by a uniform flow or a boundary-layer flow with a given wall pressure distribution. Based on this simplified model, we have been able to consider the control and stabilization of the nonlinear panel vibration, which have not been treated satisfactorily by other authors. Although the sound radiation has not been included, the vibration suppression will clearly reduce the sound radiation power from the panel. The major research findings are presented in three sections. In section two we describe results on the boundary control of nonlinear panel vibration, with or without flow excitation. Sections three and four are concerned with some analytical and numerical results in the optimal control of the linear and nonlinear panel vibrations, respectively, excited by the flow pressure fluctuations. Finally, in section five, we draw some conclusions from research findings.

  13. Dipole forbidden vibrational modes for NO and CO on Cu observed in the far IR

    SciTech Connect

    Hirschmugl, C.J. |; Dumas, P.; Suhren, M.; Chabal, Y.J.; Hoffmann, F.M.; Williams, G.P.

    1993-11-01

    IRRAS spectra of NO/Cu(111) and ({radical}3 {times} {radical}3)R30{degrees} coverage of CO/Cu(111) in the range 3000--180 cm{sup {minus}1} show both the adsorbate internal modes and features assigned to the hindered rotational modes. These dipole-forbidden features are characterized by asymmetric (mostly negative) absorption lineshapes and are accompanied by a change in broadband absorption. The shape and intensity of this broadband absorption is well accounted for by a scattering model.

  14. Temperature dependence of vibrational modes of CH3CC(ads) and I(ads) coadsorbed on Ag(111): ab initio molecular dynamics approach.

    PubMed

    Lin, Jyh Shing; Lu, Shao-Yu; Tseng, Po-Jung; Chou, Wen-Chi

    2012-05-15

    Ab initio molecular dynamics simulations accompanied by a Fourier transform of the dipole moment (aligned perpendicular to the surface) autocorrelation function are implemented to investigate the temperature-dependent infrared (IR) active vibrational modes of CH3C(β)C(α)(ads) and I(ads) when coadsorbed on an Ag(111) surface at 200 and 400 K, respectively. The analytic scheme of the Fourier transform of a structural coordinate autocorrelation function is used to identify two distinguishable IR active peaks of C(β)C(α) stretching, which are characterized by two types of dynamic motion of adsorbed CH3C(β)C(α)(ads) at 200 K, namely, the motion of the tilted CC(β)C(α) axis and the motion of the stand-up CC(β)C(α) axis. These two recognisable IR active peaks of C(β)C(α) stretching are gradually merged into one peak as a result of the dominant motion of the stand-up CC(β)C(α) axis as the temperature increases from 200 to 400 K. The calculated intensities of the IR active peaks of the asymmetrical deformation mode of CH3 and the asymmetrical stretching mode of CH3, with their dynamic dipole moments nearly perpendicular to the CC(β)C(α) axis, become relatively weak; however, the symmetrical deformation mode of CH3 and the symmetrical stretching mode of CH3, with their dynamic dipole moments randomly directed away from the CC(β)C(α) axis, will not have direct correspondence between the intensities of their IR active peaks and the angle between the Ag(111) surface and the CC(β)C(α) axis as the temperature increases from 200 to 400 K. Finally, the increased flipping from the motion of the tilted CC(β)C(α) axis to the motion of the stand-up CC(β)C(α) axis followed by its diffusion, resulting from the increasing temperature from 200 to 400 K or even higher, seems to be the initial event that initiates the alkyne self-coupling reaction that

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

    NASA Astrophysics Data System (ADS)

    de Souza, A. G.; de Souza, L. C. G.

    2015-10-01

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

  16. Integrating finite elements with optimal control to simulate active vibrations attenuation

    NASA Astrophysics Data System (ADS)

    Woods, S.; Szyszkowski, W.

    2016-12-01

    Continuous mechanical systems controlled by discrete actuators are inherently under-actuated and involve second-order non-holonomic constraints. A method of simulating optimal vibrations attenuation for such systems is proposed, in which the system is modeled by the finite elements (with possibly a large number of DOFs) and Pontryagin's Principle is applied to control several significant vibration modes by a small number of discrete actuators. For an assumed set of actuators the complete dynamic response of the system can be obtained, as well as the rate and effort parameters to evaluate efficiency of the whole attenuation process.

  17. The specific vibrational modes of GTP in solution and bound to Ras: a detailed theoretical analysis by QM/MM simulations.

    PubMed

    Xia, Fei; Rudack, Till; Kötting, Carsten; Schlitter, Jürgen; Gerwert, Klaus

    2011-12-28

    The hydrolysis of guanosine triphosphate (GTP) in general, and especially by GTPases like the Ras protein, is in the focus of biological investigations. A huge amount of experimental data from Fourier-transformed infrared studies is currently available, and many vibrational bands of free GTP, GTP·Mg(2+), and Ras·GTP·Mg(2+) in solution have been assigned by isotopic labeling. In the Ras environment, bands between 800 cm(-1) and 1300 cm(-1) have already been assigned, but not those below 800 cm(-1). The combination of quantum and molecular mechanics (QM/MM) methods takes the quantum effects for selected relevant atoms into account. This provides structural details, vibrational frequencies and electron distributions of the region of interest. We therefore used MM and QM/MM simulations to investigate the normal vibrational modes of GTP, GTP·Mg(2+), and Ras·GTP·Mg(2+) in solution, and assigned the vibrational frequencies for each normal vibration mode. In this study, the quantum box contains the nucleoside and the Mg(2+). The comparison of calculated and experimental vibrational spectra provides a very good control for the quality of the calculations. Structurally, MM and QM/MM simulations reveal a stable tridentate coordination of the Mg(2+) by GTP in water, and a stable bidentate coordination by GTP in complex with Ras. For validation, we compare the calculated frequencies and isotopic shifts with the experimental results available in the range of 800 cm(-1) to 1300 cm(-1). For the first time we suggest band assignments of the vibrational modes below 800 cm(-1) by comparison of calculated and experimental spectra.

  18. Active vibration isolation of macro-micro motion stage disturbances using a floating stator platform

    NASA Astrophysics Data System (ADS)

    Zhang, Lufan; Long, Zhili; Cai, Jiandong; Liu, Yang; Fang, Jiwen; Wang, Michael Yu

    2015-10-01

    Macro-micro motion stage is mainly applied in microelectronics manufacturing to realize a high-acceleration, high-speed and nano-positioning motion. The high acceleration and nano-positioning accuracy would be influenced by the vibration of the motion stage. In the paper, a concept of floating stage is introduced in the macro-micro motion for isolating vibration disturbances. The design model of the floating stage is established and its theoretical analyses including natural frequency, transient and frequency response analyses are investigated, in order to demonstrate the feasibility of the floating stator platform as a vibration isolator for the macro-micro motion stage. Moreover, an optimal design of the floating stator is conducted and then verified by experiments. In order to characterize and quantify the performance of isolation obtained from the traditional fixed stator and the floating stator, the acceleration responses at different accelerations, speeds and displacements are measured in x, y and z directions. The theoretical and experimental analyses in time and frequency domains indicate that the floating stator platform is effective to actively isolate the vibration in the macro-micro motion stage. In macro-micro motion stage, high acceleration motion is provided by VCM. Vibration is induced from VCM, that is, VCM is a source system, the vibration response or force is felt by a receiver system. Generally, VCM is fixed on the base, which means that the base is the receiver system which absorbs or transfers the vibration. However, the vibration cannot completely disappear and the base vibration is inevitable. In the paper, a floated stator platform as isolation system is developed to decrease or isolate vibration between VCM and base. The floated stator platform consists of damper, stopper, floated lock, spring, limiter, sub base, etc. Unlike the traditional stator of VCM fixed on the base, the floated stator can be moved on the linear guide under vibration

  19. Rectangular-Plate-Type Piezoelectric Ceramics Ultrasonic Motor Using Double 1st Resonance Modes of Longitudinal and Width-Bending Vibrations

    NASA Astrophysics Data System (ADS)

    Suetomo, Atsutoshi; Tomikawa, Yoshiro

    2004-05-01

    This paper deals with a piezoelectric ceramics ultrasonic motor of rectangular plate type using double resonance modes of longitudinal (L1) and width-bending (B1) vibrations. First, the motor construction and its operating principle are described, and second, the measured characteristics of this prototype motor are presented.

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

    NASA Astrophysics Data System (ADS)

    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.

  1. New First Order Raman-active Modes in Few Layered Transition Metal Dichalcogenides

    PubMed Central

    Terrones, H.; Corro, E. Del; Feng, S.; Poumirol, J. M.; Rhodes, D.; Smirnov, D.; Pradhan, N. R.; Lin, Z.; Nguyen, M. A. T.; Elías, A. L.; Mallouk, T. E.; Balicas, L.; Pimenta, M. A.; Terrones, M.

    2014-01-01

    Although the main Raman features of semiconducting transition metal dichalcogenides are well known for the monolayer and bulk, there are important differences exhibited by few layered systems which have not been fully addressed. WSe2 samples were synthesized and ab-initio calculations carried out. We calculated phonon dispersions and Raman-active modes in layered systems: WSe2, MoSe2, WS2 and MoS2 ranging from monolayers to five-layers and the bulk. First, we confirmed that as the number of layers increase, the E′, E″ and E2g modes shift to lower frequencies, and the A′1 and A1g modes shift to higher frequencies. Second, new high frequency first order A′1 and A1g modes appear, explaining recently reported experimental data for WSe2, MoSe2 and MoS2. Third, splitting of modes around A′1 and A1g is found which explains those observed in MoSe2. Finally, exterior and interior layers possess different vibrational frequencies. Therefore, it is now possible to precisely identify few-layered STMD. PMID:24572993

  2. Phase of shear vibrations within cochlear partition leads to activation of the cochlear amplifier.

    PubMed

    Lamb, Jessica S; Chadwick, Richard S

    2014-01-01

    Since Georg von Bekesy laid out the place theory of the hearing, researchers have been working to understand the remarkable properties of mammalian hearing. Because access to the cochlea is restricted in live animals, and important aspects of hearing are destroyed in dead ones, models play a key role in interpreting local measurements. Wentzel-Kramers-Brillouin (WKB) models are attractive because they are analytically tractable, appropriate to the oblong geometry of the cochlea, and can predict wave behavior over a large span of the cochlea. Interest in the role the tectorial membrane (TM) plays in cochlear tuning led us to develop models that directly interface the TM with the cochlear fluid. In this work we add an angled shear between the TM and reticular lamina (RL), which serves as an input to a nonlinear active force. This feature plus a novel combination of previous work gives us a model with TM-fluid interaction, TM-RL shear, a nonlinear active force and a second wave mode. The behavior we get leads to the conclusion the phase between the shear and basilar membrane (BM) vibration is critical for amplification. We show there is a transition in this phase that occurs at a frequency below the cutoff, which is strongly influenced by TM stiffness. We describe this mechanism of sharpened BM velocity profile, which demonstrates the importance of the TM in overall cochlear tuning and offers an explanation for the response characteristics of the Tectb mutant mouse.

  3. Vibrational modes and specific heat of A1Si and A1Ge alloy systems

    NASA Astrophysics Data System (ADS)

    Soma, Toshinobu; Kitabatake, Isao; Kagaya, Hiroko-Matsuo

    1994-10-01

    We present a simplified treatment where the lattice vibrations of Al, Si or Ge atoms in the Al-Si and Al-Ge solid solutions are replaced with that of pure Al, f.c.c. Si or f.c.c. Ge crystals with the lattice constant and electron density of the alloy. Considering the volume and electron density effect on the dynamical matrix of the pure constituent, we obtain the phonon dispersion curves of the local and band modes for Al 0.9Si 0.1 and Al 0.9Ge 0.1 and the concentration x-dependence of the local and band modes frequencies in the Al 1- xSi x and Al 1- xGe x solid solutions. Then, we calculate the temperature-dependent specific heat at constant volume of these alloy systems. The obtained specific heat of the Al 1- xSi x and Al 1- xGe x solid solutions is a monotonous function of the concentration x, but deviates largely from linearity at low temperatures.

  4. Active vibration attenuating seat suspension for an armored helicopter crew seat

    NASA Astrophysics Data System (ADS)

    Sztein, Pablo Javier

    An Active Vibration Attenuating Seat Suspension (AVASS) for an MH-60S helicopter crew seat is designed to protect the occupants from harmful whole-body vibration (WBV). Magnetorheological (MR) suspension units are designed, fabricated and installed in a helicopter crew seat. These MR isolators are built to work in series with existing Variable Load Energy Absorbers (VLEAs), have minimal increase in weight, and maintain crashworthiness for the seat system. Refinements are discussed, based on testing, to minimize friction observed in the system. These refinements include the addition of roller bearings to replace friction bearings in the existing seat. Additionally, semi-active control of the MR dampers is achieved using special purpose built custom electronics integrated into the seat system. Experimental testing shows that an MH-60S retrofitted with AVASS provides up to 70.65% more vibration attenuation than the existing seat configuration as well as up to 81.1% reduction in vibration from the floor.

  5. Vibrational spectrum, ab initio calculations, conformational equilibria and torsional modes of 1,3-dichloropropane

    NASA Astrophysics Data System (ADS)

    Duffy, Daniel J.; Quenneville, Jason; Baumbaugh, T. M.; Kitchener, S. A.; McCormick, R. K.; Dormady, C. N.; Croce, T. A.; Navabi, A.; Stidham, Howard D.; Hsu, Shaw L.; Guirgis, Gamil A.; Deng, Shiping; Durig, James R.

    2004-02-01

    Ab initio calculations are reported for three of four possible conformers of 1,3-dichloropropane. The fourth conformer, with C s symmetry, has a predicted enthalpy difference of more than 1500 cm -1 from the most stable conformer from each calculation regardless of the basis set used, so there is little chance of observing it. Thus, there is no evidence in the infrared or Raman spectrum of the presence of a fourth conformer. The order of stability given by the ab initio calculations is C 2(GG)>C 1(AG)>C 2v(AA)>C s(GG'), where A indicates the anti form for one of the CH 2Cl groups and G indicates the gauche conformation for the other CH 2Cl group relative to the plane of the carbon atoms. Almost every band observed can be confidently assigned to one or another of the conformers. Many observed bands proved to be of a composite nature, with several nearly coincident vibrations of different conformers contributing to the band contour. Nonetheless, a complete assignment of fundamentals is possible for the most stable C 2 conformer, and 5 of the fundamentals of the C 2v conformer and 13 those of the C 1 conformer can be confidently assigned.

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

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

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

  7. A Multi-Mode Blade Damping Control using Shunted Piezoelectric Transducers with Active Feedback Structure

    NASA Technical Reports Server (NTRS)

    Choi, Benjamin; Morrison, Carlos; Min, James

    2009-01-01

    The Structural Dynamics and. Mechanics branch (RXS) is developing smart adaptive structures to improve fan blade damping at resonances using piezoelectric (PE) transducers. In this presentation, only one shunted PE transducer was used to demonstrate active control of multi-mode blade resonance damping on a titanium alloy (Ti-6A1-4V) flat plate model, regardless of bending, torsion, and 2-stripe modes. This work would have a significant impact on the conventional passive shunt damping world because the standard feedback control design tools can now be used to design and implement electric shunt for vibration control. In other words, the passive shunt circuit components using massive inductors and. resistors for multi-mode resonance control can be replaced with digital codes. Furthermore, this active approach with multi patches can simultaneously control several modes in the engine operating range. Dr. Benjamin Choi presented the analytical and experimental results from this work at the Propulsion-Safety and. Affordable Readiness (P-SAR) Conference in March, 2009.

  8. An efficient approach to optimize the vibration mode of bar-type ultrasonic motors.

    PubMed

    Zhu, Hua; Li, Zhirong; Zhao, Chunsheng

    2010-04-01

    The electromechanical coupled dynamic model of the stator of the bar-type ultrasonic motor is derived based on the finite element method. The dynamical behavior of the stator is analyzed via this model and the theoretical result agrees with the experimental result of the stator of the prototype motor very well. Both the structural design principles and the approaches to meet the requirements for the mode of the stator are discussed. Based on the pattern search algorithm, an optimal model to meet the design requirements is established. The numerical simulation results show that this optimal model is effective for the structural design of the stator.

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

    NASA Astrophysics Data System (ADS)

    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.

  10. Exploring excited-state hydrogen atom transfer along an ammonia wire cluster: Competitive reaction paths and vibrational mode selectivity

    NASA Astrophysics Data System (ADS)

    Tanner, Christian; Manca, Carine; Leutwyler, Samuel

    2005-05-01

    The excited-state hydrogen-atom transfer (ESHAT) reaction of the 7-hydroxyquinoline•(NH3)3 cluster involves a crossing from the initially excited π1π* to a π1σ* state. The nonadiabatic coupling between these states induces homolytic dissociation of the O-H bond and H-atom transfer to the closest NH3 molecule, forming a biradical structure denoted HT1, followed by two more Grotthus-type translocation steps along the ammonia wire. We investigate this reaction at the configuration interaction singles level, using a basis set with diffuse orbitals. Intrinsic reaction coordinate calculations of the enol→HT1 step predict that the H-atom transfer is preceded and followed by extensive twisting and bending of the ammonia wire, as well as large O -H⋯NH3 hydrogen bond contraction and expansion. The calculations also predict an excited-state proton transfer path involving synchronous proton motions; however, it lies 20-25kcal/mol above the ESHAT path. Higher singlet and triplet potential curves are calculated along the ESHAT reaction coordinate: Two singlet-triplet curve crossings occur within the HT1 product well and intersystem crossing to these Tn states branches the reaction back to the enol reactant side, decreasing the ESHAT yield. In fact, a product yield of ≈40% 7-ketoquinoline•(NH3)3 is experimentally observed. The vibrational mode selectivity of the enol→HT1 reaction step [C. Manca, C. Tanner, S. Coussan, A. Bach, and S. Leutwyler, J. Chem. Phys. 121, 2578 (2004)] is shown to be due to the large sensitivity of the diffuse πσ* state to vibrational displacements along the intermolecular coordinates.

  11. Structure and vibrational modes of AgI-doped AsSe glasses: Raman scattering and ab initio calculations

    SciTech Connect

    Kostadinova, O.; Chrissanthopoulos, A.; Petkova, T.; Petkov, P.; Yannopoulos, S.N.

    2011-02-15

    We report an investigation of the structure and vibrational modes of (AgI){sub x} (AsSe){sub 100-x}, bulk glasses using Raman spectroscopy and first principles calculations. The short- and medium-range structural order of the glasses was elucidated by analyzing the reduced Raman spectra, recorded at off-resonance conditions. Three distinct local environments were revealed for the AsSe glass including stoichiometric-like and As-rich network sub-structures, and cage-like molecules (As{sub 4}Se{sub n}, n=3, 4) decoupled from the network. To facilitate the interpretation of the Raman spectra ab initio calculations are employed to study the geometric and vibrational properties of As{sub 4}Se{sub n} molecular units that are parts of the glass structure. The incorporation of AgI causes appreciable structural changes into the glass structure. AgI is responsible for the population reduction of molecular units and for the degradation of the As-rich network-like sub-structure via the introduction of As-I terminal bonds. Ab initio calculations of mixed chalcohalide pyramids AsSe{sub m}I{sub 3-m} provided useful information augmenting the interpretation of the Raman spectra. -- Graphical abstract: Raman scattering and ab initio calculations are employed to study the structure of AgI-AsSe superionic glasses. The role of mixed chalcohalide pyramidal units as illustrated in the figure is elucidated. Display Omitted Research highlights: {yields} Doping binary As-Se glasses with AgI cause dramatic changes in glass structure. {yields} Raman scattering and ab initio calculations determine changes in short- and medium-range order. {yields} Three local environments exist in AsSe glass including a network sub-structure and cage-like molecules. {yields} Mixed chalcohalide pyramids AsSe{sub m}I{sub 3-m} dominate the AgI-doped glass structure.

  12. Insight into the collective vibrational modes driving ultralow thermal conductivity of perovskite solar cells

    NASA Astrophysics Data System (ADS)

    Yue, Sheng-Ying; Zhang, Xiaoliang; Qin, Guangzhao; Yang, Jiayue; Hu, Ming

    2016-09-01

    The past few years have witnessed a rapid evolution of hybrid organic-inorganic perovskite solar cells as an unprecedented photovoltaic technology with both relatively low cost and high-power conversion. The fascinating physical and chemical properties of perovskites are benefited from their unique crystal structures represented by the general chemical formula A M X3 , where the A cations occupy the hollows formed by the M X3 octahedra and thus balance the charge of the entire network. Despite a vast amount of theoretical and experimental investigations have been dedicated to the structural stability, electrical, and optical properties of hybrid halide perovskite materials in relation to their applications in solar cells, the thermal transport property, another critical parameter to the design and optimization of relevant solar cell modules, receives less attention. In this paper, we evaluate the lattice thermal conductivity of a representative methylammonium lead triiodide perovskite (CH3NH3PbI3 ) with direct nonequilibrium ab initio molecular dynamics simulation. Resorting to full first-principles calculations, we illustrate the details of the mysterious vibration of the methylammonium cluster (CH3NH3+ ) and present an unambiguous picture of how the organic cluster interacting with the inorganic cage and how the collective motions of the organic cluster drags the thermal transport, which provide fundamental understanding of the ultralow thermal conductivity of CH3NH3PbI3 . We also reveal the strongly localized phonons associated with the internal motions of the CH3NH3+ cluster, which contribute little to the total thermal conductivity. The importance of the CH3NH3+ cluster to the structural instability is also discussed in terms of the unconventional dispersion curves by freezing the partial freedoms of the organic cluster. These results provide more quantitative description of organic-inorganic interaction and coupling dynamics from accurate first

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

    NASA Astrophysics Data System (ADS)

    Lipovsky, Bradley P.; Dunham, Eric M.

    2015-02-01

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

  14. Laboratory Spectra of CO2 Vibrational Modes in Planetary Ice Analogs

    NASA Technical Reports Server (NTRS)

    White, Douglas; Mastrapa, Rachel M.; Sandford, Scott

    2012-01-01

    Laboratory spectra have shown that CO2 is a powerful diagnostic tool for analyzing infrared data from remote observations, as it has been detected on icy moons in the outer Solar System as well as dust grain surfaces in the interstellar medium (ISM). IR absorption band profiles of CO2 within ice mixtures containing H2O and CH3OH change with respect to temperature and mixture ratios. In this particular study, the CO2 asymmetric stretching mode near 4.3 m (2350 cm (exp-1)), overtone mode near 1.97 m (5080 cm (exp-1)), and the combination bands near 2.7 m (3700 cm (exp-1)), 2.8 m (3600 cm (exp-1)), and 2.02 m (4960 cm (exp -1)), are systematically observed in different mixtures with H2O and CH3OH in temperature ranges from 15K to 150 K. Additionally, some high-temperature deposits (T greater than 50 K) of H2O, CH3OH, and CO2 ice mixtures were performed. These data may then be used to interpret infrared observational data obtained from icy surfaces in the outer Solar System and beyond.

  15. Systematic comparison of positron- and electron-impact excitation of the {nu}{sub 3} vibrational mode of CF{sub 4}

    SciTech Connect

    Marler, J. P.; Surko, C. M.

    2005-12-15

    Absolute measurements are presented for the excitation of the {nu}{sub 3} vibrational mode in CF{sub 4} by positron and electron impact from 0.1 to 2 eV. To minimize systematic differences, these measurements were made using the same trap-based electron or positron beam, associated experimental apparatus, and procedures. Unlike other vibrational excitation cross sections studied to date, the near-threshold cross section for the {nu}{sub 3} vibrational mode in CF{sub 4} is similar, both in magnitude and shape, for positrons and electrons. Comparison of the cross sections with an analytic Born dipole model yields good agreement, while comparison of this model with other measured positron-impact vibrational cross sections indicates that the contribution of this long-range dipole coupling varies widely. The maximum value of the cross section in CF{sub 4} is the largest of any positron-impact vibrational excitation cross section measured to date. This provides a likely explanation of the observation that CF{sub 4} is very effective when used as a buffer gas to cool positron gases and plasmas.

  16. Piezoelectric actuator models for active sound and vibration control of cylinders

    NASA Technical Reports Server (NTRS)

    Lester, Harold C.; Lefebvre, Sylvie

    1993-01-01

    Analytical models for piezoelectric actuators, adapted from flat plate concepts, are developed for noise and vibration control applications associated with vibrating circular cylinders. The loadings applied to the cylinder by the piezoelectric actuators for the bending and in-plane force models are approximated by line moment and line force distributions, respectively, acting on the perimeter of the actuator patch area. Coupling between the cylinder and interior acoustic cavity is examined by studying the modal spectra, particularly for the low-order cylinder modes that couple efficiently with the cavity at low frequencies. Within the scope of this study, the in-plane force model produced a more favorable distribution of low-order modes, necessary for efficient interior noise control, than did the bending model.

  17. 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

    NASA Astrophysics Data System (ADS)

    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

  18. Semi-active control of helicopter vibration using controllable stiffness and damping devices

    NASA Astrophysics Data System (ADS)

    Anusonti-Inthra, Phuriwat

    Semi-active concepts for helicopter vibration reduction are developed and evaluated in this dissertation. Semi-active devices, controllable stiffness devices or controllable orifice dampers, are introduced; (i) in the blade root region (rotor-based concept) and (ii) between the rotor and the fuselage as semi-active isolators (in the non-rotating frame). Corresponding semi-active controllers for helicopter vibration reduction are also developed. The effectiveness of the rotor-based semi-active vibration reduction concept (using stiffness and damping variation) is demonstrated for a 4-bladed hingeless rotor helicopter in moderate- to high-speed forward flight. A sensitivity study shows that the stiffness variation of root element can reduce hub vibrations when proper amplitude and phase are used. Furthermore, the optimal semi-active control scheme can determine the combination of stiffness variations that produce significant vibration reduction in all components of vibratory hub loads simultaneously. It is demonstrated that desired cyclic variations in properties of the blade root region can be practically achieved using discrete controllable stiffness devices and controllable dampers, especially in the flap and lag directions. These discrete controllable devices can produce 35--50% reduction in a composite vibration index representing all components of vibratory hub loads. No detrimental increases are observed in the lower harmonics of blade loads and blade response (which contribute to the dynamic stresses) and controllable device internal loads, when the optimal stiffness and damping variations are introduced. The effectiveness of optimal stiffness and damping variations in reducing hub vibration is retained over a range of cruise speeds and for variations in fundamental rotor properties. The effectiveness of the semi-active isolator is demonstrated for a simplified single degree of freedom system representing the semi-active isolation system. The rotor

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

    NASA Astrophysics Data System (ADS)

    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.

  20. Selection of active elements in system reduction of vibration

    NASA Astrophysics Data System (ADS)

    Bialas, K.

    2016-11-01

    This work presents non-classical method of design of mechatronic systems. The purpose of this paper is also introduces synthesis of mechatronic system understand as design of mechatronic systems. The synthesis may be applied to modify the already existing systems in order to achieve a desired result. The system was consisted from mechanical and electrical elements. Electrical elements were used as subsystem reducing unwanted vibration of mechanical system. Electrical elements can be realized in the form of coils with movable core. The system was modelled in Matlab Simulink.