Mort, Brendan C; Autschbach, Jochen
2006-08-09
Vibrational corrections (zero-point and temperature dependent) of the H-D spin-spin coupling constant J(HD) for six transition metal hydride and dihydrogen complexes have been computed from a vibrational average of J(HD) as a function of temperature. Effective (vibrationally averaged) H-D distances have also been determined. The very strong temperature dependence of J(HD) for one of the complexes, [Ir(dmpm)Cp*H2]2 + (dmpm = bis(dimethylphosphino)methane) can be modeled simply by the Boltzmann average of the zero-point vibrationally averaged JHD of two isomers. For this complex and four others, the vibrational corrections to JHD are shown to be highly significant and lead to improved agreement between theory and experiment in most cases. The zero-point vibrational correction is important for all complexes. Depending on the shape of the potential energy and J-coupling surfaces, for some of the complexes higher vibrationally excited states can also contribute to the vibrational corrections at temperatures above 0 K and lead to a temperature dependence. We identify different classes of complexes where a significant temperature dependence of J(HD) may or may not occur for different reasons. A method is outlined by which the temperature dependence of the HD spin-spin coupling constant can be determined with standard quantum chemistry software. Comparisons are made with experimental data and previously calculated values where applicable. We also discuss an example where a low-order expansion around the minimum of a complicated potential energy surface appears not to be sufficient for reproducing the experimentally observed temperature dependence.
Vibrational zero point energy for H-doped silicon
NASA Astrophysics Data System (ADS)
Karazhanov, S. Zh.; Ganchenkova, M.; Marstein, E. S.
2014-05-01
Most of the studies addressed to computations of hydrogen parameters in semiconductor systems, such as silicon, are performed at zero temperature T = 0 K and do not account for contribution of vibrational zero point energy (ZPE). For light weight atoms such as hydrogen (H), however, magnitude of this parameter might be not negligible. This Letter is devoted to clarify the importance of accounting the zero-point vibrations when analyzing hydrogen behavior in silicon and its effect on silicon electronic properties. For this, we estimate the ZPE for different locations and charge states of H in Si. We show that the main contribution to the ZPE is coming from vibrations along the Si-H bonds whereas contributions from other Si atoms apart from the direct Si-H bonds play no role. It is demonstrated that accounting the ZPE reduces the hydrogen formation energy by ˜0.17 eV meaning that neglecting ZPE at low temperatures one can underestimate hydrogen solubility by few orders of magnitude. In contrast, the effect of the ZPE on the ionization energy of H in Si is negligible. The results can have important implications for characterization of vibrational properties of Si by inelastic neutron scattering, as well as for theoretical estimations of H concentration in Si.
NASA Astrophysics Data System (ADS)
Aldegunde, J.; Jambrina, P. G.; García, E.; Herrero, V. J.; Sáez-Rábanos, V.; Aoiz, F. J.
2013-11-01
The advent of very precise measurements of rate coefficients in reactions of muonium (Mu), the lightest hydrogen isotope, with H2 in its ground and first vibrational state and of kinetic isotope effects with respect to heavier isotopes has triggered a renewed interests in the field of muonic chemistry. The aim of the present article is to review the most recent results about the dynamics and mechanism of the reaction Mu+H2 to shed light on the importance of quantum effects such as tunnelling, the preservation of the zero point energy, and the vibrational adiabaticity. In addition to accurate quantum mechanical (QM) calculations, quasiclassical trajectories (QCT) have been run in order to check the reliability of this method for this isotopic variant. It has been found that the reaction with H2(v=0) is dominated by the high zero point energy (ZPE) of the products and that tunnelling is largely irrelevant. Accordingly, both QCT calculations that preserve the products' ZPE as well as those based on the Ring Polymer Molecular Dynamics methodology can reproduce the QM rate coefficients. However, when the hydrogen molecule is vibrationally excited, QCT calculations fail completely in the prediction of the huge vibrational enhancement of the reactivity. This failure is attributed to tunnelling, which plays a decisive role breaking the vibrational adiabaticity when v=1. By means of the analysis of the results, it can be concluded that the tunnelling takes place through the ν1=1 collinear barrier. Somehow, the tunnelling that is missing in the Mu+H2(v=0) reaction is found in Mu+H2(v=1).
Tachikawa, Hiroto
2017-06-30
Reactions of water dimer cation (H2O)2+ following ionization have been investigated by means of a direct ab initio molecular dynamics method. In particular, the effects of zero point vibration and zero point energy (ZPE) on the reaction mechanism were considered in this work. Trajectories were run on two electronic potential energy surfaces (PESs) of (H2O)2+: ground state ( 2 A″-like state) and the first excited state ( 2 A'-like state). All trajectories on the ground-state PES lead to the proton-transferred product: H 2 O + (Wd)-H 2 O(Wa) → OH(Wd)-H 3 O + (Wa), where Wd and Wa refer to the proton donor and acceptor water molecules, respectively. Time of proton transfer (PT) varied widely from 15 to 40 fs (average time of PT = 30.9 fs). The trajectories on the excited-state PES gave two products: an intermediate complex with a face-to-face structure (H 2 O-OH 2 ) + and a PT product. However, the proton was transferred to the opposite direction, and the reverse PT was found on the excited-state PES: H 2 O(Wd)-H 2 O + (Wa) → H 3 O + (Wd)-OH(Wa). This difference occurred because the ionizing water molecule in the dimer switched between the ground and excited states. The reaction mechanism of (H2O)2+ and the effects of ZPE are discussed on the basis of the results. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.
Uncertainties in scaling factors for ab initio vibrational zero-point energies
NASA Astrophysics Data System (ADS)
Irikura, Karl K.; Johnson, Russell D.; Kacker, Raghu N.; Kessel, Rüdiger
2009-03-01
Vibrational zero-point energies (ZPEs) determined from ab initio calculations are often scaled by empirical factors. An empirical scaling factor partially compensates for the effects arising from vibrational anharmonicity and incomplete treatment of electron correlation. These effects are not random but are systematic. We report scaling factors for 32 combinations of theory and basis set, intended for predicting ZPEs from computed harmonic frequencies. An empirical scaling factor carries uncertainty. We quantify and report, for the first time, the uncertainties associated with scaling factors for ZPE. The uncertainties are larger than generally acknowledged; the scaling factors have only two significant digits. For example, the scaling factor for B3LYP/6-31G(d) is 0.9757±0.0224 (standard uncertainty). The uncertainties in the scaling factors lead to corresponding uncertainties in predicted ZPEs. The proposed method for quantifying the uncertainties associated with scaling factors is based upon the Guide to the Expression of Uncertainty in Measurement, published by the International Organization for Standardization. We also present a new reference set of 60 diatomic and 15 polyatomic "experimental" ZPEs that includes estimated uncertainties.
Bettens, Ryan P A
2003-01-15
Collins' method of interpolating a potential energy surface (PES) from quantum chemical calculations for reactive systems (Jordan, M. J. T.; Thompson, K. C.; Collins, M. A. J. Chem. Phys. 1995, 102, 5647. Thompson, K. C.; Jordan, M. J. T.; Collins, M. A. J. Chem. Phys. 1998, 108, 8302. Bettens, R. P. A.; Collins, M. A. J. Chem. Phys. 1999, 111, 816) has been applied to a bound state problem. The interpolation method has been combined for the first time with quantum diffusion Monte Carlo calculations to obtain an accurate ground state zero-point energy, the vibrationally average rotational constants, and the vibrationally averaged internal coordinates. In particular, the system studied was fluoromethane using a composite method approximating the QCISD(T)/6-311++G(2df,2p) level of theory. The approach adopted in this work (a) is fully automated, (b) is fully ab initio, (c) includes all nine nuclear degrees of freedom, (d) requires no assumption of the functional form of the PES, (e) possesses the full symmetry of the system, (f) does not involve fitting any parameters of any kind, and (g) is generally applicable to any system amenable to quantum chemical calculations and Collins' interpolation method. The calculated zero-point energy agrees to within 0.2% of its current best estimate. A0 and B0 are within 0.9 and 0.3%, respectively, of experiment.
Paul, Amit K; Hase, William L
2016-01-28
A zero-point energy (ZPE) constraint model is proposed for classical trajectory simulations of unimolecular decomposition and applied to CH4* → H + CH3 decomposition. With this model trajectories are not allowed to dissociate unless they have ZPE in the CH3 product. If not, they are returned to the CH4* region of phase space and, if necessary, given additional opportunities to dissociate with ZPE. The lifetime for dissociation of an individual trajectory is the time it takes to dissociate with ZPE in CH3, including multiple possible returns to CH4*. With this ZPE constraint the dissociation of CH4* is exponential in time as expected for intrinsic RRKM dynamics and the resulting rate constant is in good agreement with the harmonic quantum value of RRKM theory. In contrast, a model that discards trajectories without ZPE in the reaction products gives a CH4* → H + CH3 rate constant that agrees with the classical and not quantum RRKM value. The rate constant for the purely classical simulation indicates that anharmonicity may be important and the rate constant from the ZPE constrained classical trajectory simulation may not represent the complete anharmonicity of the RRKM quantum dynamics. The ZPE constraint model proposed here is compared with previous models for restricting ZPE flow in intramolecular dynamics, and connecting product and reactant/product quantum energy levels in chemical dynamics simulations.
Govender, Ashriti; Ferré, Daniel Curulla; Niemantsverdriet, J W Hans
2012-04-23
The thermodynamics and kinetics of the surface hydrogenation of adsorbed atomic carbon to methane, following the reaction sequence C+4H(-->/<--)CH+3H(-->/<--)CH(2)+2H(-->/<--)CH(3)+H(-->/<--)CH(4), are studied on Fe(100) by means of density functional theory. An assessment is made on whether the adsorption energies and overall energy profile are affected when zero-point energy (ZPE) corrections are included. The C, CH and CH(2) species are most stable at the fourfold hollow site, while CH(3) prefers the twofold bridge site. Atomic hydrogen is adsorbed at both the twofold bridge and fourfold hollow sites. Methane is physisorbed on the surface and shows neither orientation nor site preference. It is easily desorbed to the gas phase once formed. The incorporation of ZPE corrections has a very slight, if any, effect on the adsorption energies and does not alter the trends with regards to the most stable adsorption sites. The successive addition of hydrogen to atomic carbon is endothermic up to the addition of the third hydrogen atom resulting in the methyl species, but exothermic in the final hydrogenation step, which leads to methane. The overall methanation reaction is endothermic when starting from atomic carbon and hydrogen on the surface. Zero-point energy corrections are rarely provided in the literature. Since they are derived from C-H bonds with characteristic vibrations on the order of 2500-3000 cm(-1), the equivalent ZPE of 1/2 hν is on the order of 0.2-0.3 eV and its effect on adsorption energy can in principle be significant. Particularly in reactions between CH(x) and H, the ZPE correction is expected to be significant, as additional C-H bonds are formed. In this instance, the methanation reaction energy of +0.77 eV increased to +1.45 eV with the inclusion of ZPE corrections, that is, less favourable. Therefore, it is crucial to include ZPE corrections when reporting reactions involving hydrogen-containing species. Copyright © 2012 WILEY-VCH Verlag Gmb
Liu, Jianbo; Song, Kihyung; Hase, William L; Anderson, Scott L
2005-12-22
Quasiclassical, direct dynamics trajectories have been used to study the reaction of formaldehyde cation with molecular hydrogen, simulating the conditions in an experimental study of H2CO+ vibrational effects on this reaction. Effects of five different H2CO+ modes were probed, and we also examined different approaches to treating zero-point energy in quasiclassical trajectories. The calculated absolute cross-sections are in excellent agreement with experiments, and the results provide insight into the reaction mechanism, product scattering behavior, and energy disposal, and how they vary with impact parameter and reactant state. The reaction is sharply orientation-dependent, even at high collision energies, and both trajectories and experiment find that H2CO+ vibration inhibits reaction. On the other hand, the trajectories do not reproduce the anomalously strong effect of nu2(+) (the CO stretch). The origin of the discrepancy and approaches for minimizing such problems in quasiclassical trajectories are discussed.
NASA Astrophysics Data System (ADS)
Kalirai, Jason
2009-07-01
This proposal obtains the photometric zero points in 53 of the 62 UVIS/WFC3 filters: the 18 broad-band filters, 8 medium-band filters, 16 narrow-band filters, and 11 of the 20 quad filters {those being used in cycle 17}. The observations will be primary obtained by observing the hot DA white dwarf standards GD153 and G191-B2B. A redder secondary standard, P330E, will be observed in a subset of the filters to provide color corrections. Repeat observations in 16 of the most widely used cycle 17 filters will be obtained once per month for the first three months, and then once every second month for the duration of cycle 17, alternating and depending on target availability. These observations will enable monitoring of the stability of the photometric system. Photometric transformation equations will be calculated by comparing the photometry of stars in two globular clusters, 47 Tuc and NGC 2419, to previous measurements with other telescopes/instruments.
Hudson, Bruce S; Chafetz, Suzanne K
2013-04-25
Zero-point vibrational level averaging for electron spin resonance (ESR) and muon spin resonance (µSR) hyperfine coupling constants (HFCCs) are computed for H and Mu isotopomers of the cyclohexadienyl radical. A local mode approximation previously developed for computation of the effect of replacement of H by D on ¹³C-NMR chemical shifts is used. DFT methods are used to compute the change in energy and HFCCs when the geometry is changed from the equilibrium values for the stretch and both bend degrees of freedom. This variation is then averaged over the probability distribution for each degree of freedom. The method is tested using data for the methylene group of C₆H₇, cyclohexadienyl radical and its Mu analog. Good agreement is found for the difference between the HFCCs for Mu and H of CHMu and that for H of CHMu and CH₂ of the parent radical methylene group. All three of these HFCCs are the same in the absence of the zero point average, a one-parameter fit of the static HFCC, a(0), can be computed. That value, 45.2 Gauss, is compared to the results of several fixed geometry electronic structure computations. The HFCC values for the ortho, meta and para H atoms are then discussed.
Kesharwani, Manoj K; Brauer, Brina; Martin, Jan M L
2015-03-05
We have obtained uniform frequency scaling factors λ(harm) (for harmonic frequencies), λ(fund) (for fundamentals), and λ(ZPVE) (for zero-point vibrational energies (ZPVEs)) for the Weigend-Ahlrichs and other selected basis sets for MP2, SCS-MP2, and a variety of DFT functionals including double hybrids. For selected levels of theory, we have also obtained scaling factors for true anharmonic fundamentals and ZPVEs obtained from quartic force fields. For harmonic frequencies, the double hybrids B2PLYP, B2GP-PLYP, and DSD-PBEP86 clearly yield the best performance at RMSD = 10-12 cm(-1) for def2-TZVP and larger basis sets, compared to 5 cm(-1) at the CCSD(T) basis set limit. For ZPVEs, again, the double hybrids are the best performers, reaching root-mean-square deviations (RMSDs) as low as 0.05 kcal/mol, but even mainstream functionals like B3LYP can get down to 0.10 kcal/mol. Explicitly anharmonic ZPVEs only are marginally more accurate. For fundamentals, however, simple uniform scaling is clearly inadequate.
Khvostichenko, Daria; Choi, Andrew; Boulatov, Roman
2008-04-24
We investigated the effect of several computational variables, including the choice of the basis set, application of symmetry constraints, and zero-point energy (ZPE) corrections, on the structural parameters and predicted ground electronic state of model 5-coordinate hemes (iron(II) porphines axially coordinated by a single imidazole or 2-methylimidazole). We studied the performance of B3LYP and B3PW91 with eight Pople-style basis sets (up to 6-311+G*) and B97-1, OLYP, and TPSS functionals with 6-31G and 6-31G* basis sets. Only hybrid functionals B3LYP, B3PW91, and B97-1 reproduced the quintet ground state of the model hemes. With a given functional, the choice of the basis set caused up to 2.7 kcal/mol variation of the quintet-triplet electronic energy gap (DeltaEel), in several cases, resulting in the inversion of the sign of DeltaEel. Single-point energy calculations with triple-zeta basis sets of the Pople (up to 6-311G++(2d,2p)), Ahlrichs (TZVP and TZVPP), and Dunning (cc-pVTZ) families showed the same trend. The zero-point energy of the quintet state was approximately 1 kcal/mol lower than that of the triplet, and accounting for ZPE corrections was crucial for establishing the ground state if the electronic energy of the triplet state was approximately 1 kcal/mol less than that of the quintet. Within a given model chemistry, effects of symmetry constraints and of a "tense" structure of the iron porphine fragment coordinated to 2-methylimidazole on DeltaEel were limited to 0.3 kcal/mol. For both model hemes the best agreement with crystallographic structural data was achieved with small 6-31G and 6-31G* basis sets. Deviation of the computed frequency of the Fe-Im stretching mode from the experimental value with the basis set decreased in the order: nonaugmented basis sets, basis sets with polarization functions, and basis sets with polarization and diffuse functions. Contraction of Pople-style basis sets (double-zeta or triple-zeta) affected the results
Campos, Cesar T; Jorge, Francisco E; Alves, Júlia M A
2012-09-01
Recently, segmented all-electron contracted double, triple, quadruple, quintuple, and sextuple zeta valence plus polarization function (XZP, X = D, T, Q, 5, and 6) basis sets for the elements from H to Ar were constructed for use in conjunction with nonrelativistic and Douglas-Kroll-Hess Hamiltonians. In this work, in order to obtain a better description of some molecular properties, the XZP sets for the second-row elements were augmented with high-exponent d "inner polarization functions," which were optimized in the molecular environment at the second-order Møller-Plesset level. At the coupled cluster level of theory, the inclusion of tight d functions for these elements was found to be essential to improve the agreement between theoretical and experimental zero-point vibrational energies (ZPVEs) and atomization energies. For all of the molecules studied, the ZPVE errors were always smaller than 0.5 %. The atomization energies were also improved by applying corrections due to core/valence correlation and atomic spin-orbit effects. This led to estimates for the atomization energies of various compounds in the gaseous phase. The largest error (1.2 kcal mol(-1)) was found for SiH(4).
Vendrell, Oriol; Brill, Michael; Gatti, Fabien; Lauvergnat, David; Meyer, Hans-Dieter
2009-06-21
Quantum dynamical calculations are reported for the zero point energy, several low-lying vibrational states, and the infrared spectrum of the H(5)O(2)(+) cation. The calculations are performed by the multiconfiguration time-dependent Hartree (MCTDH) method. A new vector parametrization based on a mixed Jacobi-valence description of the system is presented. With this parametrization the potential energy surface coupling is reduced with respect to a full Jacobi description, providing a better convergence of the n-mode representation of the potential. However, new coupling terms appear in the kinetic energy operator. These terms are derived and discussed. A mode-combination scheme based on six combined coordinates is used, and the representation of the 15-dimensional potential in terms of a six-combined mode cluster expansion including up to some 7-dimensional grids is discussed. A statistical analysis of the accuracy of the n-mode representation of the potential at all orders is performed. Benchmark, fully converged results are reported for the zero point energy, which lie within the statistical uncertainty of the reference diffusion Monte Carlo result for this system. Some low-lying vibrationally excited eigenstates are computed by block improved relaxation, illustrating the applicability of the approach to large systems. Benchmark calculations of the linear infrared spectrum are provided, and convergence with increasing size of the time-dependent basis and as a function of the order of the n-mode representation is studied. The calculations presented here make use of recent developments in the parallel version of the MCTDH code, which are briefly discussed. We also show that the infrared spectrum can be computed, to a very good approximation, within D(2d) symmetry, instead of the G(16) symmetry used before, in which the complete rotation of one water molecule with respect to the other is allowed, thus simplifying the dynamical problem.
Harding, Lawrence B.; Georgievskii, Yuri; Klippenstein, Stephen J.
Full dimensional analytic potential energy surfaces based on CCSD(T)/cc-pVTZ calculations have been determined for 48 small combustion related molecules. The analytic surfaces have been used in Diffusion Monte Carlo calculations of the anharmonic, zero point energies. Here, the resulting anharmonicity corrections are compared to vibrational perturbation theory results based both on the same level of electronic structure theory and on lower level electronic structure methods (B3LYP and MP2).
Harding, Lawrence B.; Georgievskii, Yuri; Klippenstein, Stephen J.
2017-05-17
Full dimensional analytic potential energy surfaces based on CCSD(T)/cc-pVTZ calculations have been determined for 48 small combustion related molecules. The analytic surfaces have been used in Diffusion Monte Carlo calculations of the anharmonic, zero point energies. Here, the resulting anharmonicity corrections are compared to vibrational perturbation theory results based both on the same level of electronic structure theory and on lower level electronic structure methods (B3LYP and MP2).
Harding, Lawrence B; Georgievskii, Yuri; Klippenstein, Stephen J
2017-06-08
Full-dimensional analytic potential energy surfaces based on CCSD(T)/cc-pVTZ calculations have been determined for 48 small combustion-related molecules. The analytic surfaces have been used in Diffusion Monte Carlo calculations of the anharmonic zero-point energies. The resulting anharmonicity corrections are compared to vibrational perturbation theory results based both on the same level of electronic structure theory and on lower-level electronic structure methods (B3LYP and MP2).
NASA Astrophysics Data System (ADS)
Massie, U. W.
When Planck introduced the 1/2 hv term to his 1911 black body equation he showed that there is a residual energy remaining at zero degree K after all thermal energy ceased. Other investigators, including Lamb, Casimir, and Dirac added to this information. Today zero point energy (ZPE) is accepted as an established condition. The purpose of this paper is to demonstrate that the density of the ZPE is given by the gravity constant (G) and the characteristics of its particles are revealed by the cosmic microwave background (CMB). Eddies of ZPE particles created by flow around mass bodies reduce the pressure normal to the eddy flow and are responsible for the force of gravity. Helium atoms resonate with ZPE particles at low temperature to produce superfluid helium. High velocity micro vortices of ZPE particles about a basic particle or particles are responsible for electromagnetic forces. The speed of light is the speed of the wave front in the ZPE and its value is a function of the temperature and density of the ZPE.
Role of zero-point effects in stabilizing the ground state structure of bulk Fe2P
NASA Astrophysics Data System (ADS)
Bhat, Soumya S.; Gupta, Kapil; Bhattacharjee, Satadeep; Lee, Seung-Cheol
2018-05-01
Structural stability of Fe2P is investigated in detail using first-principles calculations based on density functional theory. While the orthorhombic C23 phase is found to be energetically more stable, the experiments suggest it to be hexagonal C22 phase. In the present study, we show that in order to obtain the correct ground state structure of Fe2P from the first-principles based methods it is utmost necessary to consider the zero-point effects such as zero-point vibrations and spin fluctuations. This study demonstrates an exceptional case where a bulk material is stabilized by quantum effects, which are usually important in low-dimensional materials. Our results also indicate the possibility of magnetic field induced structural quantum phase transition in Fe2P, which should form the basis for further theoretical and experimental efforts.
Zero-point energy effects in anion solvation shells.
Habershon, Scott
2014-05-21
By comparing classical and quantum-mechanical (path-integral-based) molecular simulations of solvated halide anions X(-) [X = F, Cl, Br and I], we identify an ion-specific quantum contribution to anion-water hydrogen-bond dynamics; this effect has not been identified in previous simulation studies. For anions such as fluoride, which strongly bind water molecules in the first solvation shell, quantum simulations exhibit hydrogen-bond dynamics nearly 40% faster than the corresponding classical results, whereas those anions which form a weakly bound solvation shell, such as iodide, exhibit a quantum effect of around 10%. This observation can be rationalized by considering the different zero-point energy (ZPE) of the water vibrational modes in the first solvation shell; for strongly binding anions, the ZPE of bound water molecules is larger, giving rise to faster dynamics in quantum simulations. These results are consistent with experimental investigations of anion-bound water vibrational and reorientational motion.
Observable consequences of zero-point energy
NASA Astrophysics Data System (ADS)
Sen, Siddhartha; Gupta, Kumar S.
2017-12-01
Spectral line widths, the Lamb shift and the Casimir effect are generally accepted to be observable consequences of the zero-point electromagnetic (ZPEM) fields. A new class of observable consequences of ZPEM field at the mesoscopic scale were recently proposed and observed. Here, we extend this class of observable effects and predict that mesoscopic water layers should have a high value for its solid-liquid phase transition temperature, as illustrated by water inside a single-walled carbon nanotube (CNT). For this case, our analysis predicts that the phase transition temperature scales inversely with the square of the effective radius available for the water flow within the CNT.
NASA Astrophysics Data System (ADS)
Landerville, Aaron C.; Oleynik, Ivan I.
2017-01-01
Dispersion Corrected Density Functional Theory (DFT+vdW) calculations are performed to predict vibrational and thermal properties of the bulk energetic materials (EMs) β-octahydrocyclotetramethylene-tetranitramine (β-HMX) and triaminotrinitrobenzene (TATB). DFT+vdW calculations of pressure-dependent crystal structure and the hydrostatic equation of state are followed by frozen-phonon calculations of their respective vibration spectra at each pressure. These are then used under the quasi-harmonic approximation to obtain zero-point and thermal free energy contributions to the pressure, resulting in pressure-volume-temperature (PVT) EOS for each material that are in excellent agreement with experiment. Heat capacities, and coefficients of thermal expansion as functions of temperature are also calculated and compared with experiment.
Zero point energy of polyhedral water clusters.
Anick, David J
2005-06-30
Polyhedral water clusters (PWCs) are cage-like (H2O)n clusters where every O participates in exactly three H bonds. For a database of 83 PWCs, 8 < or = n < or = 20, geometry was optimized and zero point energy (ZPE) was calculated at the B3LYP/6-311++G** level. ZPE correlates negatively with electronic energy (E0): each increase of 1 kcal/mol in E0 corresponds to a decrease of about 0.11 kcal/mol in ZPE. For each n, a set of four connectivity parameters accounts for 98% or more of the variance in ZPE. Linear regression of ZPE against n and this set gives an RMS error of 0.13 kcal/mol. The contributions to ZPE from stretch modes only (ZPE(S)) and from torsional modes only (ZPE(T)) also correlate strongly with E0 and with each other.
A vibration correction method for free-fall absolute gravimeters
NASA Astrophysics Data System (ADS)
Qian, J.; Wang, G.; Wu, K.; Wang, L. J.
2018-02-01
An accurate determination of gravitational acceleration, usually approximated as 9.8 m s-2, has been playing an important role in the areas of metrology, geophysics, and geodetics. Absolute gravimetry has been experiencing rapid developments in recent years. Most absolute gravimeters today employ a free-fall method to measure gravitational acceleration. Noise from ground vibration has become one of the most serious factors limiting measurement precision. Compared to vibration isolators, the vibration correction method is a simple and feasible way to reduce the influence of ground vibrations. A modified vibration correction method is proposed and demonstrated. A two-dimensional golden section search algorithm is used to search for the best parameters of the hypothetical transfer function. Experiments using a T-1 absolute gravimeter are performed. It is verified that for an identical group of drop data, the modified method proposed in this paper can achieve better correction effects with much less computation than previous methods. Compared to vibration isolators, the correction method applies to more hostile environments and even dynamic platforms, and is expected to be used in a wider range of applications.
Uncertainty relations, zero point energy and the linear canonical group
NASA Technical Reports Server (NTRS)
Sudarshan, E. C. G.
1993-01-01
The close relationship between the zero point energy, the uncertainty relations, coherent states, squeezed states, and correlated states for one mode is investigated. This group-theoretic perspective enables the parametrization and identification of their multimode generalization. In particular the generalized Schroedinger-Robertson uncertainty relations are analyzed. An elementary method of determining the canonical structure of the generalized correlated states is presented.
Electronic zero-point fluctuation forces inside circuit components
Leonhardt, Ulf
2018-01-01
One of the most intriguing manifestations of quantum zero-point fluctuations are the van der Waals and Casimir forces, often associated with vacuum fluctuations of the electromagnetic field. We study generalized fluctuation potentials acting on internal degrees of freedom of components in electrical circuits. These electronic Casimir-like potentials are induced by the zero-point current fluctuations of any general conductive circuit. For realistic examples of an electromechanical capacitor and a superconducting qubit, our results reveal the possibility of tunable forces between the capacitor plates, or the level shifts of the qubit, respectively. Our analysis suggests an alternative route toward the exploration of Casimir-like fluctuation potentials, namely, by characterizing and measuring them as a function of parameters of the environment. These tunable potentials may be useful for future nanoelectromechanical and quantum technologies. PMID:29719863
The Schrödinger Equation, the Zero-Point Electromagnetic Radiation, and the Photoelectric Effect
NASA Astrophysics Data System (ADS)
França, H. M.; Kamimura, A.; Barreto, G. A.
2016-04-01
A Schrödinger type equation for a mathematical probability amplitude Ψ( x, t) is derived from the generalized phase space Liouville equation valid for the motion of a microscopic particle, with mass M and charge e, moving in a potential V( x). The particle phase space probability density is denoted Q( x, p, t), and the entire system is immersed in the "vacuum" zero-point electromagnetic radiation. We show, in the first part of the paper, that the generalized Liouville equation is reduced to a simpler Liouville equation in the equilibrium limit where the small radiative corrections cancel each other approximately. This leads us to a simpler Liouville equation that will facilitate the calculations in the second part of the paper. Within this second part, we address ourselves to the following task: Since the Schrödinger equation depends on hbar , and the zero-point electromagnetic spectral distribution, given by ρ 0{(ω )} = hbar ω 3/2 π 2 c3, also depends on hbar , it is interesting to verify the possible dynamical connection between ρ 0( ω) and the Schrödinger equation. We shall prove that the Planck's constant, present in the momentum operator of the Schrödinger equation, is deeply related with the ubiquitous zero-point electromagnetic radiation with spectral distribution ρ 0( ω). For simplicity, we do not use the hypothesis of the existence of the L. de Broglie matter-waves. The implications of our study for the standard interpretation of the photoelectric effect are discussed by considering the main characteristics of the phenomenon. We also mention, briefly, the effects of the zero-point radiation in the tunneling phenomenon and the Compton's effect.
Water Electrolyzers and the Zero-Point Energy
NASA Astrophysics Data System (ADS)
King, M. B.
The gas emitted from popular water electrolyzer projects manifests unusual energetic anomalies, which include vaporizing tungsten when used in a welding torch and running internal combustion engines on small quantities of the gas. Some claim to run generators in closed loop fashion solely on the gas from the electrolyzer, which is powered solely from the generator. Most investigators believe the energy is from burning hydrogen. A hypothesis is proposed that the dominant energy is not coming from hydrogen, but rather it is coming from charged water gas clusters, which activate and coherently trap zero-point energy.
Ubiquity of quantum zero-point fluctuations in dislocation glide
NASA Astrophysics Data System (ADS)
Landeiro Dos Reis, Marie; Choudhury, Anshuman; Proville, Laurent
2017-03-01
Modeling the dislocation glide through atomic scale simulations in Al, Cu, and Ni and in solid solution alloys Al(Mg) and Cu(Ag), we show that in the course of the plastic deformation the variation of the crystal zero-point energy (ZPE) and the dislocation potential energy barriers are of opposite sign. The multiplicity of situations where we have observed the same trend allows us to conclude that quantum fluctuations, giving rise to the crystal ZPE, make easier the dislocation glide in most materials, even those constituted of atoms heavier than H and He.
Pfeiffer, Tobias; Weber, Stefan; Klier, Jens; Bachtler, Sebastian; Molter, Daniel; Jonuscheit, Joachim; Von Freymann, Georg
2018-05-14
In many industrial fields, like automotive and painting industry, the thickness of thin layers is a crucial parameter for quality control. Hence, the demand for thickness measurement techniques continuously grows. In particular, non-destructive and contact-free terahertz techniques access a wide range of thickness determination applications. However, terahertz time-domain spectroscopy based systems perform the measurement in a sampling manner, requiring fixed distances between measurement head and sample. In harsh industrial environments vibrations of sample and measurement head distort the time-base and decrease measurement accuracy. We present an interferometer-based vibration correction for terahertz time-domain measurements, able to reduce thickness distortion by one order of magnitude for vibrations with frequencies up to 100 Hz and amplitudes up to 100 µm. We further verify the experimental results by numerical calculations and find very good agreement.
Zero-Point Energy Leakage in Quantum Thermal Bath Molecular Dynamics Simulations.
Brieuc, Fabien; Bronstein, Yael; Dammak, Hichem; Depondt, Philippe; Finocchi, Fabio; Hayoun, Marc
2016-12-13
The quantum thermal bath (QTB) has been presented as an alternative to path-integral-based methods to introduce nuclear quantum effects in molecular dynamics simulations. The method has proved to be efficient, yielding accurate results for various systems. However, the QTB method is prone to zero-point energy leakage (ZPEL) in highly anharmonic systems. This is a well-known problem in methods based on classical trajectories where part of the energy of the high-frequency modes is transferred to the low-frequency modes leading to a wrong energy distribution. In some cases, the ZPEL can have dramatic consequences on the properties of the system. Thus, we investigate the ZPEL by testing the QTB method on selected systems with increasing complexity in order to study the conditions and the parameters that influence the leakage. We also analyze the consequences of the ZPEL on the structural and vibrational properties of the system. We find that the leakage is particularly dependent on the damping coefficient and that increasing its value can reduce and, in some cases, completely remove the ZPEL. When using sufficiently high values for the damping coefficient, the expected energy distribution among the vibrational modes is ensured. In this case, the QTB method gives very encouraging results. In particular, the structural properties are well-reproduced. The dynamical properties should be regarded with caution although valuable information can still be extracted from the vibrational spectrum, even for large values of the damping term.
Zero-Point Spin-Fluctuations of Single Adatoms.
Ibañez-Azpiroz, Julen; Dos Santos Dias, Manuel; Blügel, Stefan; Lounis, Samir
2016-07-13
Stabilizing the magnetic signal of single adatoms is a crucial step toward their successful usage in widespread technological applications such as high-density magnetic data storage devices. The quantum mechanical nature of these tiny objects, however, introduces intrinsic zero-point spin-fluctuations that tend to destabilize the local magnetic moment of interest by dwindling the magnetic anisotropy potential barrier even at absolute zero temperature. Here, we elucidate the origins and quantify the effect of the fundamental ingredients determining the magnitude of the fluctuations, namely, the (i) local magnetic moment, (ii) spin-orbit coupling, and (iii) electron-hole Stoner excitations. Based on a systematic first-principles study of 3d and 4d adatoms, we demonstrate that the transverse contribution of the fluctuations is comparable in size to the magnetic moment itself, leading to a remarkable ≳50% reduction of the magnetic anisotropy energy. Our analysis gives rise to a comprehensible diagram relating the fluctuation magnitude to characteristic features of adatoms, providing practical guidelines for designing magnetically stable nanomagnets with minimal quantum fluctuations.
Hernández, Marta I; Bartolomei, Massimiliano; Campos-Martínez, José
2015-10-29
Recent progress in the production of new two-dimensional (2D) nanoporous materials is attracting considerable interest for applications to isotope separation in gases. In this paper we report a computational study of the transmission of (4)He and (3)He through the (subnanometer) pores of graphdiyne, a recently synthesized 2D carbon material. The He-graphdiyne interaction is represented by a force field parametrized upon ab initio calculations, and the (4)He/(3)He selectivity is analyzed by tunneling-corrected transition state theory. We have found that both zero point energy (of the in-pore degrees of freedom) and tunneling effects play an extraordinary role at low temperatures (≈20-30 K). However, both quantum features work in opposite directions in such a way that the selectivity ratio does not reach an acceptable value. Nevertheless, the efficiency of zero point energy is in general larger, so that (4)He tends to diffuse faster than (3)He through the graphdiyne membrane, with a maximum performance at 23 K. Moreover, it is found that the transmission rates are too small in the studied temperature range, precluding practical applications. It is concluded that the role of the in-pore degrees of freedom should be included in computations of the transmission probabilities of molecules through nanoporous materials.
Zero-point energy conservation in classical trajectory simulations: Application to H2CO
NASA Astrophysics Data System (ADS)
Lee, Kin Long Kelvin; Quinn, Mitchell S.; Kolmann, Stephen J.; Kable, Scott H.; Jordan, Meredith J. T.
2018-05-01
A new approach for preventing zero-point energy (ZPE) violation in quasi-classical trajectory (QCT) simulations is presented and applied to H2CO "roaming" reactions. Zero-point energy may be problematic in roaming reactions because they occur at or near bond dissociation thresholds and these channels may be incorrectly open or closed depending on if, or how, ZPE has been treated. Here we run QCT simulations on a "ZPE-corrected" potential energy surface defined as the sum of the molecular potential energy surface (PES) and the global harmonic ZPE surface. Five different harmonic ZPE estimates are examined with four, on average, giving values within 4 kJ/mol—chemical accuracy—for H2CO. The local harmonic ZPE, at arbitrary molecular configurations, is subsequently defined in terms of "projected" Cartesian coordinates and a global ZPE "surface" is constructed using Shepard interpolation. This, combined with a second-order modified Shepard interpolated PES, V, allows us to construct a proof-of-concept ZPE-corrected PES for H2CO, Veff, at no additional computational cost to the PES itself. Both V and Veff are used to model product state distributions from the H + HCO → H2 + CO abstraction reaction, which are shown to reproduce the literature roaming product state distributions. Our ZPE-corrected PES allows all trajectories to be analysed, whereas, in previous simulations, a significant proportion was discarded because of ZPE violation. We find ZPE has little effect on product rotational distributions, validating previous QCT simulations. Running trajectories on V, however, shifts the product kinetic energy release to higher energy than on Veff and classical simulations of kinetic energy release should therefore be viewed with caution.
Michalski, G; Jost, R; Sugny, D; Joyeux, M; Thiemens, M
2004-10-15
We have measured the rotationless photodissociation threshold of six isotopologues of NO2 containing 14N, 15N, 16O, and 18O isotopes using laser induced fluorescence detection and jet cooled NO2 (to avoid rotational congestion). For each isotopologue, the spectrum is very dense below the dissociation energy while fluorescence disappears abruptly above it. The six dissociation energies ranged from 25 128.56 cm(-1) for 14N16O2 to 25 171.80 cm(-1) for 15N18O2. The zero point energy for the NO2 isotopologues was determined from experimental vibrational energies, application of the Dunham expansion, and from canonical perturbation theory using several potential energy surfaces. Using the experimentally determined dissociation energies and the calculated zero point energies of the parent NO2 isotopologue and of the NO product(s) we determined that there is a common De = 26 051.17+/-0.70 cm(-1) using the Born-Oppenheimer approximation. The canonical perturbation theory was then used to calculate the zero point energy of all stable isotopologues of SO2, CO2, and O3, which are compared with previous determinations.
Wong, Kin-Yiu; Gao, Jiali
2008-09-09
In this paper, we describe an automated integration-free path-integral (AIF-PI) method, based on Kleinert's variational perturbation (KP) theory, to treat internuclear quantum-statistical effects in molecular systems. We have developed an analytical method to obtain the centroid potential as a function of the variational parameter in the KP theory, which avoids numerical difficulties in path-integral Monte Carlo or molecular dynamics simulations, especially at the limit of zero-temperature. Consequently, the variational calculations using the KP theory can be efficiently carried out beyond the first order, i.e., the Giachetti-Tognetti-Feynman-Kleinert variational approach, for realistic chemical applications. By making use of the approximation of independent instantaneous normal modes (INM), the AIF-PI method can readily be applied to many-body systems. Previously, we have shown that in the INM approximation, the AIF-PI method is accurate for computing the quantum partition function of a water molecule (3 degrees of freedom) and the quantum correction factor for the collinear H(3) reaction rate (2 degrees of freedom). In this work, the accuracy and properties of the KP theory are further investigated by using the first three order perturbations on an asymmetric double-well potential, the bond vibrations of H(2), HF, and HCl represented by the Morse potential, and a proton-transfer barrier modeled by the Eckart potential. The zero-point energy, quantum partition function, and tunneling factor for these systems have been determined and are found to be in excellent agreement with the exact quantum results. Using our new analytical results at the zero-temperature limit, we show that the minimum value of the computed centroid potential in the KP theory is in excellent agreement with the ground state energy (zero-point energy) and the position of the centroid potential minimum is the expectation value of particle position in wave mechanics. The fast convergent property
NASA Astrophysics Data System (ADS)
Bianconi, Antonio; Jarlborg, Thomas
2015-11-01
Emerets's experiments on pressurized sulfur hydride have shown that H3S metal has the highest known superconducting critical temperature Tc = 203 K. The Emerets data show pressure induced changes of the isotope coefficient between 0.25 and 0.5, in disagreement with Eliashberg theory which predicts a nearly constant isotope coefficient.We assign the pressure dependent isotope coefficient to Lifshitz transitions induced by pressure and zero point lattice fluctuations. It is known that pressure could induce changes of the topology of the Fermi surface, called Lifshitz transitions, but were neglected in previous papers on the H3S superconductivity issue. Here we propose thatH3S is a multi-gap superconductor with a first condensate in the BCS regime (located in the large Fermi surface with high Fermi energy) which coexists with second condensates in the BCS-BEC crossover regime (located on the Fermi surface spots with small Fermi energy) near the and Mpoints.We discuss the Bianconi-Perali-Valletta (BPV) superconductivity theory to understand superconductivity in H3S since the BPV theory includes the corrections of the chemical potential due to pairing and the configuration interaction between different condensates, neglected by the Eliashberg theory. These two terms in the BPV theory give the shape resonance in superconducting gaps, similar to Feshbach resonance in ultracold fermionic gases, which is known to amplify the critical temperature. Therefore this work provides some key tools useful in the search for new room temperature superconductors.
Vibration signal correction of unbalanced rotor due to angular speed fluctuation
NASA Astrophysics Data System (ADS)
Cao, Hongrui; He, Dong; Xi, Songtao; Chen, Xuefeng
2018-07-01
The rotating speed of a rotor is hardly constant in practice due to angular speed fluctuation, which affects the balancing accuracy of the rotor. In this paper, the effect of angular speed fluctuation on vibration responses of the unbalanced rotor is analyzed quantitatively. Then, a vibration signal correction method based on zoom synchrosqueezing transform (ZST) and tacholess order tracking is proposed. The instantaneous angular speed (IAS) of the rotor is extracted by the ZST firstly and then used to calculate the instantaneous phase. The vibration signal is further resampled in angular domain to reduce the effect of angular speed fluctuation. The signal obtained in angular domain is transformed into order domain using discrete Fourier transform (DFT) to estimate the amplitude and phase of the vibration signal. Simulated and experimental results show that the proposed method can successfully correct the amplitude and phase of the vibration signal due to angular speed fluctuation.
Czakó, Gábor; Kaledin, Alexey L; Bowman, Joel M
2010-04-28
We report the implementation of a previously suggested method to constrain a molecular system to have mode-specific vibrational energy greater than or equal to the zero-point energy in quasiclassical trajectory calculations [J. M. Bowman et al., J. Chem. Phys. 91, 2859 (1989); W. H. Miller et al., J. Chem. Phys. 91, 2863 (1989)]. The implementation is made practical by using a technique described recently [G. Czako and J. M. Bowman, J. Chem. Phys. 131, 244302 (2009)], where a normal-mode analysis is performed during the course of a trajectory and which gives only real-valued frequencies. The method is applied to the water dimer, where its effectiveness is shown by computing mode energies as a function of integration time. Radial distribution functions are also calculated using constrained quasiclassical and standard classical molecular dynamics at low temperature and at 300 K and compared to rigorous quantum path integral calculations.
Zero-point term and quantum effects in the Johnson noise of resistors: a critical appraisal
NASA Astrophysics Data System (ADS)
Kish, Laszlo B.; Niklasson, Gunnar A.; Granqvist, Claes G.
2016-05-01
There is a longstanding debate about the zero-point term in the Johnson noise voltage of a resistor. This term originates from a quantum-theoretical treatment of the fluctuation-dissipation theorem (FDT). Is the zero-point term really there, or is it only an experimental artifact, due to the uncertainty principle, for phase-sensitive amplifiers? Could it be removed by renormalization of theories? We discuss some historical measurement schemes that do not lead to the effect predicted by the FDT, and we analyse new features that emerge when the consequences of the zero-point term are measured via the mean energy and force in a capacitor shunting the resistor. If these measurements verify the existence of a zero-point term in the noise, then two types of perpetual motion machines can be constructed. Further investigation with the same approach shows that, in the quantum limit, the Johnson-Nyquist formula is also invalid under general conditions even though it is valid for a resistor-antenna system. Therefore we conclude that in a satisfactory quantum theory of the Johnson noise, the FDT must, as a minimum, include also the measurement system used to evaluate the observed quantities. Issues concerning the zero-point term may also have implications for phenomena in advanced nanotechnology.
Stiffness Corrections for the Vibration Frequency of a Stretched Wire
ERIC Educational Resources Information Center
Hornung, H. G.; Durie, M. J.
1977-01-01
Discusses the need of introducing corrections due to wire stiffness arising from end constraints and wire axis distribution curvature in the measurement of ac electrical frequency by exciting transverse standing waves in a stretched steel wire. (SL)
NASA Astrophysics Data System (ADS)
Konno, Rikio; Hatayama, Nobukuni; Takahashi, Yoshinori
2018-05-01
We have investigated the temperature dependence of the magnetic susceptibility of itinerant nearly ferromagnetic compounds based on the spin fluctuation theory. It is based on the conservation of the local spin amplitude that consists of both the thermal and the zero-point components. The linear dependence of the zero-point spin fluctuation amplitude on the inverse of magnetic susceptibility is usually assumed. The purpose of our present study is to include its higher order terms and to see their effects on the magnetic susceptibility. For the thermal amplitude, it shows T2-linear temperature dependence at low temperatures.
NASA Astrophysics Data System (ADS)
Ngastiti, P. T. B.; Surarso, Bayu; Sutimin
2018-05-01
Transportation issue of the distribution problem such as the commodity or goods from the supply tothe demmand is to minimize the transportation costs. Fuzzy transportation problem is an issue in which the transport costs, supply and demand are in the form of fuzzy quantities. Inthe case study at CV. Bintang Anugerah Elektrik, a company engages in the manufacture of gensets that has more than one distributors. We use the methods of zero point and zero suffix to investigate the transportation minimum cost. In implementing both methods, we use robust ranking techniques for the defuzzification process. The studyresult show that the iteration of zero suffix method is less than that of zero point method.
NASA Technical Reports Server (NTRS)
Manchala, Daniel W.; Palazzolo, Alan B.; Kascak, Albert F.; Montague, Gerald T.; Brown, Gerald V.; Lawrence, Charles; Klusman, Steve
1994-01-01
Jet Engines may experience severe vibration due to the sudden imbalance caused by blade failure. This research investigates employment of on board magnetic bearings or piezoelectric actuators to cancel these forces in flight. This operation requires identification of the source of the vibrations via an expert system, determination of the required phase angles and amplitudes for the correction forces, and application of the desired control signals to the magnetic bearings or piezo electric actuators. This paper will show the architecture of the software system, details of the control algorithm used for the sudden imbalance correction project described above, and the laboratory test results.
Zero-Point Calibration for AGN Black-Hole Mass Estimates
NASA Technical Reports Server (NTRS)
Peterson, B. M.; Onken, C. A.
2004-01-01
We discuss the measurement and associated uncertainties of AGN reverberation-based black-hole masses, since these provide the zero-point calibration for scaling relationships that allow black-hole mass estimates for quasars. We find that reverberation-based mass estimates appear to be accurate to within a factor of about 3.
Zero-point energy constraint in quasi-classical trajectory calculations.
Xie, Zhen; Bowman, Joel M
2006-04-27
A method to constrain the zero-point energy in quasi-classical trajectory calculations is proposed and applied to the Henon-Heiles system. The main idea of this method is to smoothly eliminate the coupling terms in the Hamiltonian as the energy of any mode falls below a specified value.
Viel, Alexandra; Coutinho-Neto, Maurício D; Manthe, Uwe
2007-01-14
Quantum dynamics calculations of the ground state tunneling splitting and of the zero point energy of malonaldehyde on the full dimensional potential energy surface proposed by Yagi et al. [J. Chem. Phys. 1154, 10647 (2001)] are reported. The exact diffusion Monte Carlo and the projection operator imaginary time spectral evolution methods are used to compute accurate benchmark results for this 21-dimensional ab initio potential energy surface. A tunneling splitting of 25.7+/-0.3 cm-1 is obtained, and the vibrational ground state energy is found to be 15 122+/-4 cm-1. Isotopic substitution of the tunneling hydrogen modifies the tunneling splitting down to 3.21+/-0.09 cm-1 and the vibrational ground state energy to 14 385+/-2 cm-1. The computed tunneling splittings are slightly higher than the experimental values as expected from the potential energy surface which slightly underestimates the barrier height, and they are slightly lower than the results from the instanton theory obtained using the same potential energy surface.
Yang, Kin S; Hudson, Bruce
2010-11-25
Replacement of H by D perturbs the (13)C NMR chemical shifts of an alkane molecule. This effect is largest for the carbon to which the D is attached, diminishing rapidly with intervening bonds. The effect is sensitive to stereochemistry and is large enough to be measured reliably. A simple model based on the ground (zero point) vibrational level and treating only the C-H(D) degrees of freedom (local mode approach) is presented. The change in CH bond length with H/D substitution as well as the reduction in the range of the zero-point level probability distribution for the stretch and both bend degrees of freedom are computed. The (13)C NMR chemical shifts are computed with variation in these three degrees of freedom, and the results are averaged with respect to the H and D distribution functions. The resulting differences in the zero-point averaged chemical shifts are compared with experimental values of the H/D shifts for a series of cycloalkanes, norbornane, adamantane, and protoadamantane. Agreement is generally very good. The remaining differences are discussed. The proton spectrum of cyclohexane- is revisited and updated with improved agreement with experiment.
NASA Astrophysics Data System (ADS)
Xiao, Zhongxiu
2018-04-01
A Method of Measuring and Correcting Tilt of Anti - vibration Wind Turbines Based on Screening Algorithm is proposed in this paper. First of all, we design a device which the core is the acceleration sensor ADXL203, the inclination is measured by installing it on the tower of the wind turbine as well as the engine room. Next using the Kalman filter algorithm to filter effectively by establishing a state space model for signal and noise. Then we use matlab for simulation. Considering the impact of the tower and nacelle vibration on the collected data, the original data and the filtering data are classified and stored by the Screening algorithm, then filter the filtering data to make the output data more accurate. Finally, we eliminate installation errors by using algorithm to achieve the tilt correction. The device based on this method has high precision, low cost and anti-vibration advantages. It has a wide range of application and promotion value.
Vibrational corrections to the second hyperpolarizabilities of Al{sub n}P{sub n} clusters
Feitoza, Luan; Instituto Federal de Brasília–IFB, Campus Planaltina, 73380-900 Brasília, DF; Silveira, Orlando
2015-12-14
In this work, we report results of vibrational corrections to the second hyperpolarizabilities of Al{sub 2}P{sub 2}, Al{sub 3}P{sub 3}, Al{sub 4}P{sub 4}, Al{sub 6}P{sub 6}, and Al{sub 9}P{sub 9} clusters. The vibrational corrections were calculated through the perturbation theoretic method of Bishop and Kirtman and also using a variational methodology at the second order Møller-Plesset perturbation theory level with the aug-cc-pVDZ basis set. Results show that the vibrational corrections are important, accounting for more than half of the corresponding electronic second hyperpolarizabilities at the static limit. Comparisons between results obtained through both methods show very good agreements for themore » terms [α{sup 2}] and [μβ] but significant differences for the term [μ{sup 2}α]. Dynamic vibrational corrections to the second hyperpolarizabilities related to the dc-second harmonic generation, intensity dependent refractive index, and dc-Kerr nonlinear optical processes are also reported.« less
Zero-point fluctuations in naphthalene and their effect on charge transport parameters.
Kwiatkowski, Joe J; Frost, Jarvist M; Kirkpatrick, James; Nelson, Jenny
2008-09-25
We calculate the effect of vibronic coupling on the charge transport parameters in crystalline naphthalene, between 0 and 400 K. We find that nuclear fluctuations can cause large changes in both the energy of a charge on a molecule and on the electronic coupling between molecules. As a result, nuclear fluctuations cause wide distributions of both energies and couplings. We show that these distributions have a small temperature dependence and that, even at high temperatures, vibronic coupling is dominated by the effect of zero-point fluctuations. Because of the importance of zero-point fluctuations, we find that the distributions of energies and couplings have substantial width, even at 0 K. Furthermore, vibronic coupling with high energy modes may be significant, even though these modes are never thermally activated. Our results have implications for the temperature dependence of charge mobilities in organic semiconductors.
Broken vertex symmetry and finite zero-point entropy in the artificial square ice ground state
Gliga, Sebastian; Kákay, Attila; Heyderman, Laura J.
In this paper, we study degeneracy and entropy in the ground state of artificial square ice. In theoretical models, individual nanomagnets are typically treated as single spins with only two degrees of freedom, leading to a twofold degenerate ground state with intensive entropy and thus no zero-point entropy. Here, we show that the internal degrees of freedom of the nanostructures can result, through edge bending of the magnetization and breaking of local magnetic symmetry at the vertices, in a transition to a highly degenerate ground state with finite zero-point entropy, similar to that of the pyrochlore spin ices. Finally, wemore » find that these additional degrees of freedom have observable consequences in the resonant spectrum of the lattice, and predict the occurrence of edge “melting” above a critical temperature at which the magnetic symmetry is restored.« less
Broken vertex symmetry and finite zero-point entropy in the artificial square ice ground state
Gliga, Sebastian; Kákay, Attila; Heyderman, Laura J.; ...
2015-08-26
In this paper, we study degeneracy and entropy in the ground state of artificial square ice. In theoretical models, individual nanomagnets are typically treated as single spins with only two degrees of freedom, leading to a twofold degenerate ground state with intensive entropy and thus no zero-point entropy. Here, we show that the internal degrees of freedom of the nanostructures can result, through edge bending of the magnetization and breaking of local magnetic symmetry at the vertices, in a transition to a highly degenerate ground state with finite zero-point entropy, similar to that of the pyrochlore spin ices. Finally, wemore » find that these additional degrees of freedom have observable consequences in the resonant spectrum of the lattice, and predict the occurrence of edge “melting” above a critical temperature at which the magnetic symmetry is restored.« less
NASA Astrophysics Data System (ADS)
Habershon, Scott; Manolopoulos, David E.
2009-12-01
The approximate quantum mechanical ring polymer molecular dynamics (RPMD) and linearized semiclassical initial value representation (LSC-IVR) methods are compared and contrasted in a study of the dynamics of the flexible q-TIP4P/F water model at room temperature. For this water model, a RPMD simulation gives a diffusion coefficient that is only a few percent larger than the classical diffusion coefficient, whereas a LSC-IVR simulation gives a diffusion coefficient that is three times larger. We attribute this discrepancy to the unphysical leakage of initially quantized zero point energy (ZPE) from the intramolecular to the intermolecular modes of the liquid as the LSC-IVR simulation progresses. In spite of this problem, which is avoided by construction in RPMD, the LSC-IVR may still provide a useful approximation to certain short-time dynamical properties which are not so strongly affected by the ZPE leakage. We illustrate this with an application to the liquid water dipole absorption spectrum, for which the RPMD approximation breaks down at frequencies in the O-H stretching region owing to contamination from the internal modes of the ring polymer. The LSC-IVR does not suffer from this difficulty and it appears to provide quite a promising way to calculate condensed phase vibrational spectra.
Habershon, Scott; Manolopoulos, David E
2009-12-28
The approximate quantum mechanical ring polymer molecular dynamics (RPMD) and linearized semiclassical initial value representation (LSC-IVR) methods are compared and contrasted in a study of the dynamics of the flexible q-TIP4P/F water model at room temperature. For this water model, a RPMD simulation gives a diffusion coefficient that is only a few percent larger than the classical diffusion coefficient, whereas a LSC-IVR simulation gives a diffusion coefficient that is three times larger. We attribute this discrepancy to the unphysical leakage of initially quantized zero point energy (ZPE) from the intramolecular to the intermolecular modes of the liquid as the LSC-IVR simulation progresses. In spite of this problem, which is avoided by construction in RPMD, the LSC-IVR may still provide a useful approximation to certain short-time dynamical properties which are not so strongly affected by the ZPE leakage. We illustrate this with an application to the liquid water dipole absorption spectrum, for which the RPMD approximation breaks down at frequencies in the O-H stretching region owing to contamination from the internal modes of the ring polymer. The LSC-IVR does not suffer from this difficulty and it appears to provide quite a promising way to calculate condensed phase vibrational spectra.
Magnification of signatures of a topological phase transition by quantum zero point motion
NASA Astrophysics Data System (ADS)
Lopes, Pedro L. e. S.; Ghaemi, Pouyan
2015-08-01
We show that the zero point motion of a vortex in superconducting doped topological insulators leads to significant changes in the electronic spectrum at the topological phase transition in this system. This topological phase transition is tuned by the doping level, and the corresponding effects are manifest in the density of states at energies which are on the order of the vortex fluctuation frequency. Although the electronic energy gap in the spectrum generated by a stationary vortex is but a small fraction of the bulk superconducting gap, the vortex fluctuation frequency may be much larger. As a result, this quantum zero point motion can induce a discontinuous change in the spectral features of the system at the topological vortex phase transition to energies which are well within the resolution of scanning tunneling microscopy. This discontinuous change is exclusive to superconducting systems in which we have a topological phase transition. Moreover, the phenomena studied in this paper present effects of Magnus forces on the vortex spectrum which are not present in the ordinary s -wave superconductors. Finally, we demonstrate explicitly that the vortex in this system is equivalent to a Kitaev chain. This allows for the mapping of the vortex fluctuating scenario in three dimensions into similar one-dimensional situations in which one may search for other novel signatures of topological phase transitions.
Electronic Zero-Point Oscillations in the Strong-Interaction Limit of Density Functional Theory.
Gori-Giorgi, Paola; Vignale, Giovanni; Seidl, Michael
2009-04-14
The exchange-correlation energy in Kohn-Sham density functional theory can be expressed exactly in terms of the change in the expectation of the electron-electron repulsion operator when, in the many-electron Hamiltonian, this same operator is multiplied by a real parameter λ varying between 0 (Kohn-Sham system) and 1 (physical system). In this process, usually called adiabatic connection, the one-electron density is kept fixed by a suitable local one-body potential. The strong-interaction limit of density functional theory, defined as the limit λ→∞, turns out to be like the opposite noninteracting Kohn-Sham limit (λ→0) mathematically simpler than the physical (λ = 1) case and can be used to build an approximate interpolation formula between λ→0 and λ→∞ for the exchange-correlation energy. Here we extend the systematic treatment of the λ→∞ limit [Phys. Rev. A 2007, 75, 042511] to the next leading term, describing zero-point oscillations of strictly correlated electrons, with numerical examples for small spherical atoms. We also propose an improved approximate functional for the zero-point term and a revised interpolation formula for the exchange-correlation energy satisfying more exact constraints.
Resonant paramagnetic enhancement of the thermal and zero-point Nyquist noise
NASA Astrophysics Data System (ADS)
França, H. M.; Santos, R. B. B.
1999-01-01
The interaction between a very thin macroscopic solenoid, and a single magnetic particle precessing in a external magnetic field B0, is described by taking into account the thermal and the zero-point fluctuations of stochastic electrodynamics. The inductor belongs to a RLC circuit without batteries and the random motion of the magnetic dipole generates in the solenoid a fluctuating current Idip( t), and a fluctuating voltage εdip( t), with spectral distribution quite different from the Nyquist noise. We show that the mean square value < Idip2> presents an enormous variation when the frequency of precession approaches the frequency of the circuit, but it is still much smaller than the Nyquist current in the circuit. However, we also show that < Idip2> can reach measurable values if the inductor is interacting with a macroscopic sample of magnetic particles (atoms or nuclei) which are close enough to its coils.
NASA Technical Reports Server (NTRS)
Rueda, A.
1985-01-01
That particles may be accelerated by vacuum effects in quantum field theory has been repeatedly proposed in the last few years. A natural upshot of this is a mechanism for cosmic rays (CR) primaries acceleration. A mechanism for acceleration by the zero-point field (ZPE) when the ZPE is taken in a realistic sense (in opposition to a virtual field) was considered. Originally the idea was developed within a semiclassical context. The classical Einstein-Hopf model (EHM) was used to show that free isolated electromagnrtically interacting particles performed a random walk in phase space and more importantly in momentum space when submitted to the perennial action of the so called classical electromagnrtic ZPE.
Sensing Atomic Motion from the Zero Point to Room Temperature with Ultrafast Atom Interferometry.
Johnson, K G; Neyenhuis, B; Mizrahi, J; Wong-Campos, J D; Monroe, C
2015-11-20
We sense the motion of a trapped atomic ion using a sequence of state-dependent ultrafast momentum kicks. We use this atom interferometer to characterize a nearly pure quantum state with n=1 phonon and accurately measure thermal states ranging from near the zero-point energy to n[over ¯]~10^{4}, with the possibility of extending at least 100 times higher in energy. The complete energy range of this method spans from the ground state to far outside of the Lamb-Dicke regime, where atomic motion is greater than the optical wavelength. Apart from thermometry, these interferometric techniques are useful for characterizing ultrafast entangling gates between multiple trapped ions.
Threshold-adaptive canny operator based on cross-zero points
NASA Astrophysics Data System (ADS)
Liu, Boqi; Zhang, Xiuhua; Hong, Hanyu
2018-03-01
Canny edge detection[1] is a technique to extract useful structural information from different vision objects and dramatically reduce the amount of data to be processed. It has been widely applied in various computer vision systems. There are two thresholds have to be settled before the edge is segregated from background. Usually, by the experience of developers, two static values are set as the thresholds[2]. In this paper, a novel automatic thresholding method is proposed. The relation between the thresholds and Cross-zero Points is analyzed, and an interpolation function is deduced to determine the thresholds. Comprehensive experimental results demonstrate the effectiveness of proposed method and advantageous for stable edge detection at changing illumination.
The environmental zero-point problem in evolutionary reaction norm modeling.
Ergon, Rolf
2018-04-01
There is a potential problem in present quantitative genetics evolutionary modeling based on reaction norms. Such models are state-space models, where the multivariate breeder's equation in some form is used as the state equation that propagates the population state forward in time. These models use the implicit assumption of a constant reference environment, in many cases set to zero. This zero-point is often the environment a population is adapted to, that is, where the expected geometric mean fitness is maximized. Such environmental reference values follow from the state of the population system, and they are thus population properties. The environment the population is adapted to, is, in other words, an internal population property, independent of the external environment. It is only when the external environment coincides with the internal reference environment, or vice versa, that the population is adapted to the current environment. This is formally a result of state-space modeling theory, which is an important theoretical basis for evolutionary modeling. The potential zero-point problem is present in all types of reaction norm models, parametrized as well as function-valued, and the problem does not disappear when the reference environment is set to zero. As the environmental reference values are population characteristics, they ought to be modeled as such. Whether such characteristics are evolvable is an open question, but considering the complexity of evolutionary processes, such evolvability cannot be excluded without good arguments. As a straightforward solution, I propose to model the reference values as evolvable mean traits in their own right, in addition to other reaction norm traits. However, solutions based on an evolvable G matrix are also possible.
NASA Astrophysics Data System (ADS)
Williams, Robert W.; Schlücker, Sebastian; Hudson, Bruce S.
2008-01-01
A scaled quantum mechanical harmonic force field (SQMFF) corrected for anharmonicity is obtained for the 23 K L-alanine crystal structure using van der Waals corrected periodic boundary condition density functional theory (DFT) calculations with the PBE functional. Scale factors are obtained with comparisons to inelastic neutron scattering (INS), Raman, and FT-IR spectra of polycrystalline L-alanine at 15-23 K. Calculated frequencies for all 153 normal modes differ from observed frequencies with a standard deviation of 6 wavenumbers. Non-bonded external k = 0 lattice modes are included, but assignments to these modes are presently ambiguous. The extension of SQMFF methodology to lattice modes is new, as are the procedures used here for providing corrections for anharmonicity and van der Waals interactions in DFT calculations on crystals. First principles Born-Oppenheimer molecular dynamics (BOMD) calculations are performed on the L-alanine crystal structure at a series of classical temperatures ranging from 23 K to 600 K. Corrections for zero-point energy (ZPE) are estimated by finding the classical temperature that reproduces the mean square displacements (MSDs) measured from the diffraction data at 23 K. External k = 0 lattice motions are weakly coupled to bonded internal modes.
The Zero-Point Field and the NASA Challenge to Create the Space Drive
NASA Technical Reports Server (NTRS)
Haisch, Bernhard; Rueda, Alfonso
1999-01-01
This NASA Breakthrough Propulsion Physics Workshop seeks to explore concepts that could someday enable interstellar travel. The effective superluminal motion proposed by Alcubierre (1994) to be a possibility owing to theoretically allowed space-time metric distortions within general relativity has since been shown by Pfenning and Ford (1997) to be physically unattainable. A number of other hypothetical possibilities have been summarized by Millis (1997). We present herein an overview of a concept that has implications for radically new propulsion possibilities and has a basis in theoretical physics: the hypothesis that the inertia and gravitation of matter originate in electromagnetic interactions between the zero-point field (ZPF) and the quarks and electrons constituting atoms. A new derivation of the connection between the ZPF and inertia has been carried through that is properly co-variant, yielding the relativistic equation of motion from Maxwell's equations. This opens new possibilities, but also rules out the basis of one hypothetical propulsion mechanism: Bondi's "negative inertial mass," appears to be an impossibility.
Toward an interstellar mission: Zeroing in on the zero-point-field inertia resonance
NASA Astrophysics Data System (ADS)
Haisch, Bernhard; Rueda, Alfonso
2000-01-01
While still an admittedly remote possibility, the concept of an interstellar mission has become a legitimate topic for scientific discussion as evidenced by several recent NASA activities and programs. One approach is to extrapolate present-day technologies by orders of magnitude; the other is to find new regimes in physics and to search for possible new laws of physics. Recent work on the zero-point field (ZPF), or electromagnetic quantum vacuum, is promising in regard to the latter, especially concerning the possibility that the inertia of matter may, at least in part, be attributed to interaction between the quarks and electrons in matter and the ZPF. A NASA-funded study (independent of the BPP program) of this concept has been underway since 1996 at the Lockheed Martin Advanced Technology Center in Palo Alto and the California State University at Long Beach. We report on a new development resulting from this effort: that for the specific case of the electron, a resonance for the inertia-generating process at the Compton frequency would simultaneously explain both the inertial mass of the electron and the de Broglie wavelength of a moving electron as first measured by Davisson and Germer in 1927. This line of investigation is leading to very suggestive connections between electrodynamics, inertia, gravitation and the wave nature of matter. .
Thermodynamic stability of boron: the role of defects and zero point motion.
van Setten, Michiel J; Uijttewaal, Matthé A; de Wijs, Gilles A; de Groot, Robert A
2007-03-07
Its low weight, high melting point, and large degree of hardness make elemental boron a technologically interesting material. The large number of allotropes, mostly containing over a hundred atoms in the unit cell, and their difficult characterization challenge both experimentalists and theoreticians. Even the ground state of this element is still under discussion. For over 30 years, scientists have attempted to determine the relative stability of alpha- and beta-rhombohedral boron. We use density functional calculations in the generalized gradient approximation to study a broad range of possible beta-rhombohedral structures containing interstitial atoms and partially occupied sites within a 105 atoms framework. The two most stable structures are practically degenerate in energy and semiconducting. One contains the experimental 320 atoms in the hexagonal unit cell, and the other contains 106 atoms in the triclinic unit cell. When populated with the experimental 320 electrons, the 106 atom structure exhibits a band gap of 1.4 eV and an in-gap hole trap at 0.35 eV above the valence band, consistent with known experiments. The total energy of these two structures is 23 meV/B lower than the original 105 atom framework, but it is still 1 meV/B above the alpha phase. Adding zero point energies finally makes the beta phase the ground state of elemental boron by 3 meV/B. At finite temperatures, the difference becomes even larger.
Impact of basic angle variations on the parallax zero point for a scanning astrometric satellite
NASA Astrophysics Data System (ADS)
Butkevich, Alexey G.; Klioner, Sergei A.; Lindegren, Lennart; Hobbs, David; van Leeuwen, Floor
2017-07-01
Context. Determination of absolute parallaxes by means of a scanning astrometric satellite such as Hipparcos or Gaia relies on the short-term stability of the so-called basic angle between the two viewing directions. Uncalibrated variations of the basic angle may produce systematic errors in the computed parallaxes. Aims: We examine the coupling between a global parallax shift and specific variations of the basic angle, namely those related to the satellite attitude with respect to the Sun. Methods: The changes in observables produced by small perturbations of the basic angle, attitude, and parallaxes were calculated analytically. We then looked for a combination of perturbations that had no net effect on the observables. Results: In the approximation of infinitely small fields of view, it is shown that certain perturbations of the basic angle are observationally indistinguishable from a global shift of the parallaxes. If these kinds of perturbations exist, they cannot be calibrated from the astrometric observations but will produce a global parallax bias. Numerical simulations of the astrometric solution, using both direct and iterative methods, confirm this theoretical result. For a given amplitude of the basic angle perturbation, the parallax bias is smaller for a larger basic angle and a larger solar aspect angle. In both these respects Gaia has a more favourable geometry than Hipparcos. In the case of Gaia, internal metrology is used to monitor basic angle variations. Additionally, Gaia has the advantage of detecting numerous quasars, which can be used to verify the parallax zero point.
The vibrationally adiabatic torsional potential energy surface of trans-stilbene
NASA Astrophysics Data System (ADS)
Chowdary, Praveen D.; Martinez, Todd J.; Gruebele, Martin
2007-05-01
The effect of vibrational Zero Point Energy (ZPE) on the torsional barriers of trans-stilbene is studied in the adiabatic approximation. The two torsional modes corresponding to phenyl rotation are explicitly separated, and the remaining modes are treated as normal coordinates. ZPE reduces the adiabatic barrier along the in-phase torsion from 198 to 13 cm -1. A one-dimensional adiabatic potential for the anti-phase torsion, including the ZPE of the in-phase torsion, reduces the adiabatic barrier from 260 to 58 cm -1. Comparison with recent electronic structure benchmark calculations suggests that vibrational corrections play a significant role in trans-stilbene's experimentally observed planar structure.
NASA Astrophysics Data System (ADS)
Jang, In Sung; Lee, Myung Gyoon
2017-01-01
We present a revised Tip of the Red Giant Branch (TRGB) calibration, accurate to 2.7% of distance. A modified TRGB magnitude corrected for its color dependence, the QT magnitude, is introduced for better measurement of the TRGB. We determine the color-magnitude relation of the TRGB from photometry of deep images of HST/ACS fields around eight nearby galaxies. The zero-point of the TRGB at the fiducial metallicity ([Fe/H] = -1.6 ({(V-I)}0,{TRGB}=1.5)) is obtained from photometry of two distance anchors, NGC 4258 (M106) and the Large Magellanic Cloud (LMC), to which precise geometric distances are known: MQT,TRGB = -4.023 ± 0.073 mag from NGC 4258 and MQT,TRGB = -4.004 ± 0.096 mag from the LMC. A weighted mean of the two zero-points is MQT,TRGB = -4.016 ± 0.058 mag. Quoted uncertainty is ˜2× smaller than those of previous calibrations. We compare the empirical TRGB calibration derived in this study with theoretical stellar models, finding that there are significant discrepancies, especially for red color ({({{F}}606{{W}}-{{F}}814{{W}})}0≳ 2.5). We provide the revised TRGB calibration in several magnitude systems for future studies.
Kapanadze, N
2006-08-01
Vibration is one of the pathological factors, which causes various alterations in the cells and organs. The goal of the research was the investigation of the hypophysis-adrenal gland system during the vibration and possible methods of its correction. The experiment was held on 70 grown-up male rats from 180 to 200 gr in weight. An hour vibroseance was carried out daily during two months period. According to the means of treatment animals were divided into three groups. The control group was consisted of 10 animals. In the first group (experimental vibratory pathology without any therapy) concentration of AKTH began to increase and reached 154% by the 20th day; by the 40th day it was 130%; AKTH concentration decreased up to 87% by the 60th day. The corticosterone in the blood plasma increased gradually and by the 20th day reached approximately 188%, which by the 40th day gradually decreased to 156%, and by the 60th day it was 129%. The second group was composed of animals, which underwent liquid oxygen therapy after the vibroseance. The AKTH content in the blood plasma of the second group animals was less increased: by the 20th day it reached 134%, by the 40th day it was 117%, and by the 60th day it decreased to 84%. The corticosterone concentration in the second group was lower by the 20th day it was 168%; by the 40th day it reached approximately 143%, and by the 60th day decreased to 127%. The third group was composed of retabolil treated animals. The AKTH concentration in animals by the 20th day reached 206%, and then decreased gradually, and by the 40th day it was 189%, and by the 60th day decreased to 145%. The corticosterone content in the blood plasma was high. By the 20th day the concentration was 263%, then it gradually decreased and by the 40th day reached 242%, and by the 60th day it was 199%. According to the experimental data vibration leads to the activation of hypophysis-adrenal gland system. Increased AKTH initiated increase of corticosterone.
Vetoshkin, Evgeny; Babikov, Dmitri
2007-09-28
For the first time Feshbach-type resonances important in recombination reactions are characterized using the semiclassical wave packet method. This approximation allows us to determine the energies, lifetimes, and wave functions of the resonances and also to observe a very interesting correlation between them. Most important is that this approach permits description of a quantum delta-zero-point energy effect in recombination reactions and reproduces the anomalous rates of ozone formation.
On the contribution of intramolecular zero point energy to the equation of state of solid H2
NASA Technical Reports Server (NTRS)
Chandrasekharan, V.; Etters, R. D.
1978-01-01
Experimental evidence shows that the internal zero-point energy of the H2 molecule exhibits a relatively strong pressure dependence in the solid as well as changing considerably upon condensation. It is shown that these effects contribute about 6% to the total sublimation energy and to the pressure in the solid state. Methods to modify the ab initio isolated pair potential to account for these environmental effects are discussed.
Jarlborg, Thomas; Bianconi, Antonio
2016-04-20
While 203 K high temperature superconductivity in H3S has been interpreted by BCS theory in the dirty limit here we focus on the effects of hydrogen zero-point-motion and the multiband electronic structure relevant for multigap superconductivity near Lifshitz transitions. We describe how the topology of the Fermi surfaces evolves with pressure giving different Lifshitz-transitions. A neck-disrupting Lifshitz-transition (type 2) occurs where the van Hove singularity, vHs, crosses the chemical potential at 210 GPa and new small 2D Fermi surface portions appear with slow Fermi velocity where the Migdal-approximation becomes questionable. We show that the neglected hydrogen zero-point motion ZPM, plays a key role at Lifshitz transitions. It induces an energy shift of about 600 meV of the vHs. The other Lifshitz-transition (of type 1) for the appearing of a new Fermi surface occurs at 130 GPa where new Fermi surfaces appear at the Γ point of the Brillouin zone here the Migdal-approximation breaks down and the zero-point-motion induces large fluctuations. The maximum Tc = 203 K occurs at 160 GPa where EF/ω0 = 1 in the small Fermi surface pocket at Γ. A Feshbach-like resonance between a possible BEC-BCS condensate at Γ and the BCS condensate in different k-space spots is proposed.
NASA Astrophysics Data System (ADS)
Cannuccia, E.; Marini, A.
2012-09-01
It has been recently shown, using ab-initio methods, that bulk diamond is characterized by a large band-gap renormalization (˜0.6 eV) induced by the electron-phonon interaction. In this work we show that in polymers, compared to bulk materials, the larger amplitude of the atomic vibrations makes the real excitations of the system be composed by entangled electron-phonon states. We prove that these states carry only a fraction of the electronic charge, thus leading, inevitably, to the failure of the electronic picture. The present results cast doubts on the accuracy of purely electronic calculations. They also lead to a critical revision of the state-of-the-art description of carbon-based nanostructures, opening a wealth of potential implications.
NASA Astrophysics Data System (ADS)
Quiñones, Diego A.; Oniga, Teodora; Varcoe, Benjamin T. H.; Wang, Charles H.-T.
2017-08-01
We carry out a theoretical investigation on the collective dynamics of an ensemble of correlated atoms, subject to both vacuum fluctuations of spacetime and stochastic gravitational waves. A general approach is taken with the derivation of a quantum master equation capable of describing arbitrary confined nonrelativistic matter systems in an open quantum gravitational environment. It enables us to relate the spectral function for gravitational waves and the distribution function for quantum gravitational fluctuations and to indeed introduce a new spectral function for the zero-point fluctuations of spacetime. The formulation is applied to two-level identical bosonic atoms in an off-resonant high-Q cavity that effectively inhibits undesirable electromagnetic delays, leading to a gravitational transition mechanism through certain quadrupole moment operators. The overall relaxation rate before reaching equilibrium is found to generally scale collectively with the number N of atoms. However, we are also able to identify certain states of which the decay and excitation rates with stochastic gravitational waves and vacuum spacetime fluctuations amplify more significantly with a factor of N2. Using such favorable states as a means of measuring both conventional stochastic gravitational waves and novel zero-point spacetime fluctuations, we determine the theoretical lower bounds for the respective spectral functions. Finally, we discuss the implications of our findings on future observations of gravitational waves of a wider spectral window than currently accessible. Especially, the possible sensing of the zero-point fluctuations of spacetime could provide an opportunity to generate initial evidence and further guidance of quantum gravity.
Garashchuk, Sophya; Rassolov, Vitaly A
2008-07-14
Semiclassical implementation of the quantum trajectory formalism [J. Chem. Phys. 120, 1181 (2004)] is further developed to give a stable long-time description of zero-point energy in anharmonic systems of high dimensionality. The method is based on a numerically cheap linearized quantum force approach; stabilizing terms compensating for the linearization errors are added into the time-evolution equations for the classical and nonclassical components of the momentum operator. The wave function normalization and energy are rigorously conserved. Numerical tests are performed for model systems of up to 40 degrees of freedom.
Nakamura, Tatsuya; Matsumoto, Masakazu; Yagasaki, Takuma; Tanaka, Hideki
2016-03-03
We investigate why no hydrogen-disordered form of ice II has been found in nature despite the fact that most of hydrogen-ordered ices have hydrogen-disordered counterparts. The thermodynamic stability of a set of hydrogen-ordered ice II variants relative to ice II is evaluated theoretically. It is found that ice II is more stable than the disordered variants so generated as to satisfy the simple ice rule due to the lower zero-point energy as well as the pair interaction energy. The residual entropy of the disordered ice II phase gradually compensates the unfavorable free energy with increasing temperature. The crossover, however, occurs at a high temperature well above the melting point of ice III. Consequently, the hydrogen-disordered phase does not exist in nature. The thermodynamic stability of partially hydrogen-disordered ices is also scrutinized by examining the free-energy components of several variants obtained by systematic inversion of OH directions in ice II. The potential energy of one variant is lower than that of the ice II structure, but its Gibbs free energy is slightly higher than that of ice II due to the zero-point energy. The slight difference in the thermodynamic stability leaves the possibility of the partial hydrogen-disorder in real ice II.
NASA Astrophysics Data System (ADS)
Lu, Cheng; Liu, Guodong; Liu, Bingguo; Chen, Fengdong; Zhuang, Zhitao; Xu, Xinke; Gan, Yu
2015-10-01
Absolute distance measurement systems are of significant interest in the field of metrology, which could improve the manufacturing efficiency and accuracy of large assemblies in fields such as aircraft construction, automotive engineering, and the production of modern windmill blades. Frequency scanning interferometry demonstrates noticeable advantages as an absolute distance measurement system which has a high precision and doesn't depend on a cooperative target. In this paper , the influence of inevitable vibration in the frequency scanning interferometry based absolute distance measurement system is analyzed. The distance spectrum is broadened as the existence of Doppler effect caused by vibration, which will bring in a measurement error more than 103 times bigger than the changes of optical path difference. In order to decrease the influence of vibration, the changes of the optical path difference are monitored by a frequency stabilized laser, which runs parallel to the frequency scanning interferometry. The experiment has verified the effectiveness of this method.
Schinke, Reinhard; Fleurat-Lessard, Paul
2005-03-01
The effect of zero-point energy differences (DeltaZPE) between the possible fragmentation channels of highly excited O(3) complexes on the isotope dependence of the formation of ozone is investigated by means of classical trajectory calculations and a strong-collision model. DeltaZPE is incorporated in the calculations in a phenomenological way by adjusting the potential energy surface in the product channels so that the correct exothermicities and endothermicities are matched. The model contains two parameters, the frequency of stabilizing collisions omega and an energy dependent parameter Delta(damp), which favors the lower energies in the Maxwell-Boltzmann distribution. The stabilization frequency is used to adjust the pressure dependence of the absolute formation rate while Delta(damp) is utilized to control its isotope dependence. The calculations for several isotope combinations of oxygen atoms show a clear dependence of relative formation rates on DeltaZPE. The results are similar to those of Gao and Marcus [J. Chem. Phys. 116, 137 (2002)] obtained within a statistical model. In particular, like in the statistical approach an ad hoc parameter eta approximately 1.14, which effectively reduces the formation rates of the symmetric ABA ozone molecules, has to be introduced in order to obtain good agreement with the measured relative rates of Janssen et al. [Phys. Chem. Chem. Phys. 3, 4718 (2001)]. The temperature dependence of the recombination rate is also addressed.
Kepp, Kasper P
2011-10-01
Porphyrins are much studied due to their biochemical relevance and many applications. The density functional TPSSh has previously accurately described the energy of close-lying electronic states of transition metal systems such as porphyrins. However, a recent study questioned this conclusion based on calculations of five iron(III) porphines. Here, we compute the geometries of 80 different electronic configurations and the free energies of the most stable configurations with the functionals TPSSh, TPSS, and B3LYP. Zero-point energies and entropy favor high-spin by ~4kJ/mol and 0-10kJ/mol, respectively. When these effects are included, and all electronic configurations are evaluated, TPSSh correctly predicts the spin of all the four difficult phenylporphine cases and is within the lower bound of uncertainty of any known theoretical method for the fifth, iron(III) chloroporphine. Dispersion computed with DFT-D3 favors low-spin by 3-53kJ/mol (TPSSh) or 4-15kJ/mol (B3LYP) due to the attractive r(-6) term and the shorter distances in low-spin. The very large and diverse corrections from TPSS and TPSSh seem less consistent with the similarity of the systems than when calculated from B3LYP. If the functional-specific corrections are used, B3LYP and TPSSh are of equal accuracy, and TPSS is much worse, whereas if the physically reasonable B3LYP-computed dispersion effect is used for all functionals, TPSSh is accurate for all systems. B3LYP is significantly more accurate when dispersion is added, confirming previous results. Copyright © 2011 Elsevier Inc. All rights reserved.
Stinson, Jake L.; Kathmann, Shawn M.; Ford, Ian J.
2014-01-14
The nucleation of particles from trace gases in the atmosphere is an important source of cloud condensation nuclei (CCN), and these are vital for the formation of clouds in view of the high supersaturations required for homogeneous water droplet nucleation. The methods of quantum chemistry have increasingly been employed to model nucleation due to their high accuracy and efficiency in calculating configurational energies; and nucleation rates can be obtained from the associated free energies of particle formation. However, even in such advanced approaches, it is typically assumed that the nuclei have a classical nature, which is questionable for some systems.more » The importance of zero-point motion (also known as quantum nuclear dynamics) in modelling small clusters of sulphuric acid and water is tested here using the path integral molecular dynamics (PIMD) method at the density functional theory (DFT) level of theory. We observe a small zero-point effect on the the equilibrium structures of certain clusters. One configuration is found to display a bimodal behaviour at 300 K in contrast to the stable ionised state suggested from a zero temperature classical geometry optimisation. The general effect of zero-point motion is to promote the extent of proton transfer with respect to classical behaviour. We thank Prof. Angelos Michaelides and his group in University College London (UCL) for practical advice and helpful discussions. This work benefited from interactions with the Thomas Young Centre through seminar and discussions involving the PIMD method. SMK was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. JLS and IJF were supported by the IMPACT scheme at UCL and by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. We are grateful for use of the UCL Legion High Performance Computing Facility and the
On the contribution of vibrational anharmonicity to the binding energies of water clusters.
Diri, Kadir; Myshakin, Evgeniy M; Jordan, Kenneth D
2005-05-05
The second-order vibrational perturbation theory method has been used together with the B3LYP and MP2 electronic structure methods to investigate the effects of anharmonicity on the vibrational zero-point energy (ZPE) contributions to the binding energies of (H2O)n, n = 2-6, clusters. For the low-lying isomers of (H2O)6, the anharmonicity correction to the binding energy is calculated to range from -248 to -355 cm(-1). It is also demonstrated that although high-order electron correlation effects are important for the individual vibrational frequencies, they are relatively unimportant for the net ZPE contributions to the binding energies of water clusters.
Issack, Bilkiss B; Roy, Pierre-Nicholas
2005-08-22
An approach for the inclusion of geometric constraints in semiclassical initial value representation calculations is introduced. An important aspect of the approach is that Cartesian coordinates are used throughout. We devised an algorithm for the constrained sampling of initial conditions through the use of multivariate Gaussian distribution based on a projected Hessian. We also propose an approach for the constrained evaluation of the so-called Herman-Kluk prefactor in its exact log-derivative form. Sample calculations are performed for free and constrained rare-gas trimers. The results show that the proposed approach provides an accurate evaluation of the reduction in zero-point energy. Exact basis set calculations are used to assess the accuracy of the semiclassical results. Since Cartesian coordinates are used, the approach is general and applicable to a variety of molecular and atomic systems.
Kapanadze, N A
2007-04-01
The aim of the research was investigation of the state of rennin-angiotensin system during the vibration in rats. 40 (180-200gr) pubertal male rats were studied. One hour vibro seance was conducted every day during two months. The 60 animals were divided into 3 groups (20 rats in each group); the third was control group. On 20th , 40th and 60th days of the experiment the decapitation of the animals was done under general narcosis. the Concentrations of rennin, angiotensin II and angiotensin converted ensyme in the blood plasma was determined using the method of radio immunoassay, The significant changes in concentrations of rennin-angiotensin system components have been manifested. The research showed the destruction in regulation of rennin-angiotensin system. It is concluded, that the vibration provokes the destruction of reciprocal feed-back of rennin-angiotensin system in the rats.
Mulier, Michiel; Pastrav, Cesar; Van der Perre, Georges
2008-01-01
Defining the stem insertion end point during total hip replacement still relies on the surgeon's feeling. When a custom-made stem prosthesis with an optimal fit into the femoral canal is used, the risk of per-operative fractures is even greater than with standard prostheses. Vibration analysis is used in other clinical settings and has been tested as a means to detect optimal stem insertion in the laboratory. The first per-operative use of vibration analysis during non-cemented custom-made stem insertion in 30 patients is reported here. Thirty patients eligible for total hip replacement with uncemented stem prosthesis were included. The neck of the stem was connected with a shaker that emitted white noise as excitation signal and an impedance head that measured the frequency response. The response signal was sent to a computer that analyzed the frequency response function after each insertion phase. A technician present in the operating theatre but outside the laminated airflow provided feed-back to the surgeon. The correlation index between the frequency response function measured during the last two insertion hammering sessions was >0.99 in 86.7% of the cases. In four cases the surgeon stopped the insertion procedure because of a perceived risk of fracture. Two special cases illustrating the potential benefit of per-operative vibration analysis are described. The results of intra-operative vibration analysis indicate that this technique may be a useful tool assisting the orthopaedic surgeon in defining the insertion endpoint of the stem. The development of a more user-friendly device is therefore warranted.
NASA Astrophysics Data System (ADS)
Bonhommeau, David; Truhlar, Donald G.
2008-07-01
The photodissociation dynamics of ammonia upon excitation of the out-of-plane bending mode (mode ν2 with n2=0,…,6 quanta of vibration) in the Ã electronic state is investigated by means of several mixed quantum/classical methods, and the calculated final-state properties are compared to experiments. Five mixed quantum/classical methods are tested: one mean-field approach (the coherent switching with decay of mixing method), two surface-hopping methods [the fewest switches with time uncertainty (FSTU) and FSTU with stochastic decay (FSTU/SD) methods], and two surface-hopping methods with zero-point energy (ZPE) maintenance [the FSTU /SD+trajectory projection onto ZPE orbit (TRAPZ) and FSTU /SD+minimal TRAPZ (mTRAPZ) methods]. We found a qualitative difference between final NH2 internal energy distributions obtained for n2=0 and n2>1, as observed in experiments. Distributions obtained for n2=1 present an intermediate behavior between distributions obtained for smaller and larger n2 values. The dynamics is found to be highly electronically nonadiabatic with all these methods. NH2 internal energy distributions may have a negative energy tail when the ZPE is not maintained throughout the dynamics. The original TRAPZ method was designed to maintain ZPE in classical trajectories, but we find that it leads to unphysically high internal vibrational energies. The mTRAPZ method, which is new in this work and provides a general method for maintaining ZPE in either single-surface or multisurface trajectories, does not lead to unphysical results and is much less time consuming. The effect of maintaining ZPE in mixed quantum/classical dynamics is discussed in terms of agreement with experimental findings. The dynamics for n2=0 and n2=6 are also analyzed to reveal details not available from experiment, in particular, the time required for quenching of electronic excitation and the adiabatic energy gap and geometry at the time of quenching.
Bonhommeau, David; Truhlar, Donald G
2008-07-07
The photodissociation dynamics of ammonia upon excitation of the out-of-plane bending mode (mode nu(2) with n(2)=0,[ellipsis (horizontal)],6 quanta of vibration) in the A electronic state is investigated by means of several mixed quantum/classical methods, and the calculated final-state properties are compared to experiments. Five mixed quantum/classical methods are tested: one mean-field approach (the coherent switching with decay of mixing method), two surface-hopping methods [the fewest switches with time uncertainty (FSTU) and FSTU with stochastic decay (FSTU/SD) methods], and two surface-hopping methods with zero-point energy (ZPE) maintenance [the FSTUSD+trajectory projection onto ZPE orbit (TRAPZ) and FSTUSD+minimal TRAPZ (mTRAPZ) methods]. We found a qualitative difference between final NH(2) internal energy distributions obtained for n(2)=0 and n(2)>1, as observed in experiments. Distributions obtained for n(2)=1 present an intermediate behavior between distributions obtained for smaller and larger n(2) values. The dynamics is found to be highly electronically nonadiabatic with all these methods. NH(2) internal energy distributions may have a negative energy tail when the ZPE is not maintained throughout the dynamics. The original TRAPZ method was designed to maintain ZPE in classical trajectories, but we find that it leads to unphysically high internal vibrational energies. The mTRAPZ method, which is new in this work and provides a general method for maintaining ZPE in either single-surface or multisurface trajectories, does not lead to unphysical results and is much less time consuming. The effect of maintaining ZPE in mixed quantum/classical dynamics is discussed in terms of agreement with experimental findings. The dynamics for n(2)=0 and n(2)=6 are also analyzed to reveal details not available from experiment, in particular, the time required for quenching of electronic excitation and the adiabatic energy gap and geometry at the time of quenching.
Bunakov, V. E.; Kadmensky, S. G., E-mail: kadmensky@phys.vsu.ru; Lyubashevsky, D. E.
2016-05-15
It is shown that A. Bohr’s classic theory of angular distributions of fragments originating from low-energy fission should be supplemented with quantum corrections based on the involvement of a superposition of a very large number of angular momenta L{sub m} in the description of the relative motion of fragments flying apart along the straight line coincidentwith the symmetry axis. It is revealed that quantum zero-point wriggling-type vibrations of the fissile system in the vicinity of its scission point are a source of these angular momenta and of high fragment spins observed experimentally.
Active vibration control with model correction on a flexible laboratory grid structure
NASA Technical Reports Server (NTRS)
Schamel, George C., II; Haftka, Raphael T.
1991-01-01
This paper presents experimental and computational comparisons of three active damping control laws applied to a complex laboratory structure. Two reduced structural models were used with one model being corrected on the basis of measured mode shapes and frequencies. Three control laws were investigated, a time-invariant linear quadratic regulator with state estimation and two direct rate feedback control laws. Experimental results for all designs were obtained with digital implementation. It was found that model correction improved the agreement between analytical and experimental results. The best agreement was obtained with the simplest direct rate feedback control.
NASA Astrophysics Data System (ADS)
Sun, Limin; Chen, Lin
2017-10-01
Residual mode correction is found crucial in calibrating linear resonant absorbers for flexible structures. The classic modal representation augmented with stiffness and inertia correction terms accounting for non-resonant modes improves the calibration accuracy and meanwhile avoids complex modal analysis of the full system. This paper explores the augmented modal representation in calibrating control devices with nonlinearity, by studying a taut cable attached with a general viscous damper and its Equivalent Dynamic Systems (EDSs), i.e. the augmented modal representations connected to the same damper. As nonlinearity is concerned, Frequency Response Functions (FRFs) of the EDSs are investigated in detail for parameter calibration, using the harmonic balance method in combination with numerical continuation. The FRFs of the EDSs and corresponding calibration results are then compared with those of the full system documented in the literature for varied structural modes, damper locations and nonlinearity. General agreement is found and in particular the EDS with both stiffness and inertia corrections (quasi-dynamic correction) performs best among available approximate methods. This indicates that the augmented modal representation although derived from linear cases is applicable to a relatively wide range of damper nonlinearity. Calibration of nonlinear devices by this means still requires numerical analysis while the efficiency is largely improved owing to the system order reduction.
Ab initio NMR parameters of BrCH3 and ICH3 with relativistic and vibrational corrections
NASA Astrophysics Data System (ADS)
Uhlíková, Tereza; Urban, Štěpán
2018-05-01
This study is focused on two effects identified when NMR parameters are calculated based on first principles. These effects are 1. vibrational correction of properties when using ab initio optimized equilibrium geometry; 2. relativistic effects and limits of using the Flygare equation. These effects have been investigated and determined for nuclear spin-rotation constants and nuclear magnetic shieldings for the CH3Br and CH3I molecules. The most significant result is the difference between chemical shieldings determined based on the ab initio relativistic four-component Dirac-Coulomb Hamiltonian and chemical shieldings calculated using experimental values and the Flygare equation. This difference is approximately 320 ppm and 1290 ppm for 79Br and 127I in the CH3X molecule, respectively.
Kolmann, Stephen J; Jordan, Meredith J T
2010-02-07
One of the largest remaining errors in thermochemical calculations is the determination of the zero-point energy (ZPE). The fully coupled, anharmonic ZPE and ground state nuclear wave function of the SSSH radical are calculated using quantum diffusion Monte Carlo on interpolated potential energy surfaces (PESs) constructed using a variety of method and basis set combinations. The ZPE of SSSH, which is approximately 29 kJ mol(-1) at the CCSD(T)/6-31G* level of theory, has a 4 kJ mol(-1) dependence on the treatment of electron correlation. The anharmonic ZPEs are consistently 0.3 kJ mol(-1) lower in energy than the harmonic ZPEs calculated at the Hartree-Fock and MP2 levels of theory, and 0.7 kJ mol(-1) lower in energy at the CCSD(T)/6-31G* level of theory. Ideally, for sub-kJ mol(-1) thermochemical accuracy, ZPEs should be calculated using correlated methods with as big a basis set as practicable. The ground state nuclear wave function of SSSH also has significant method and basis set dependence. The analysis of the nuclear wave function indicates that SSSH is localized to a single symmetry equivalent global minimum, despite having sufficient ZPE to be delocalized over both minima. As part of this work, modifications to the interpolated PES construction scheme of Collins and co-workers are presented.
NASA Astrophysics Data System (ADS)
Kolmann, Stephen J.; Jordan, Meredith J. T.
2010-02-01
One of the largest remaining errors in thermochemical calculations is the determination of the zero-point energy (ZPE). The fully coupled, anharmonic ZPE and ground state nuclear wave function of the SSSH radical are calculated using quantum diffusion Monte Carlo on interpolated potential energy surfaces (PESs) constructed using a variety of method and basis set combinations. The ZPE of SSSH, which is approximately 29 kJ mol-1 at the CCSD(T)/6-31G∗ level of theory, has a 4 kJ mol-1 dependence on the treatment of electron correlation. The anharmonic ZPEs are consistently 0.3 kJ mol-1 lower in energy than the harmonic ZPEs calculated at the Hartree-Fock and MP2 levels of theory, and 0.7 kJ mol-1 lower in energy at the CCSD(T)/6-31G∗ level of theory. Ideally, for sub-kJ mol-1 thermochemical accuracy, ZPEs should be calculated using correlated methods with as big a basis set as practicable. The ground state nuclear wave function of SSSH also has significant method and basis set dependence. The analysis of the nuclear wave function indicates that SSSH is localized to a single symmetry equivalent global minimum, despite having sufficient ZPE to be delocalized over both minima. As part of this work, modifications to the interpolated PES construction scheme of Collins and co-workers are presented.
Aramburu, José Antonio; García-Fernández, Pablo; García-Lastra, Juan María; Moreno, Miguel
2016-07-18
First-principle calculations together with analysis of the experimental data found for 3d(9) and 3d(7) ions in cubic oxides proved that the center found in irradiated CaO:Ni(2+) corresponds to Ni(+) under a static Jahn-Teller effect displaying a compressed equilibrium geometry. It was also shown that the anomalous positive g∥ shift (g∥ -g0 =0.065) measured at T=20 K obeys the superposition of the |3 z(2) -r(2) ⟩ and |x(2) -y(2) ⟩ states driven by quantum effects associated with the zero-point motion, a mechanism first put forward by O'Brien for static Jahn-Teller systems and later extended by Ham to the dynamic Jahn-Teller case. To our knowledge, this is the first genuine Jahn-Teller system (i.e. in which exact degeneracy exists at the high-symmetry configuration) exhibiting a compressed equilibrium geometry for which large quantum effects allow experimental observation of the effect predicted by O'Brien. Analysis of the calculated energy barriers for different Jahn-Teller systems allowed us to explain the origin of the compressed geometry observed for CaO:Ni(+) . © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Improved Correction System for Vibration Sensitive Inertial Angle of Attack Measurement Devices
NASA Technical Reports Server (NTRS)
Crawford, Bradley L.; Finley, Tom D.
2000-01-01
Inertial angle of attack (AoA) devices currently in use at NASA Langley Research Center (LaRC) are subject to inaccuracies due to centrifugal accelerations caused by model dynamics, also known as sting whip. Recent literature suggests that these errors can be as high as 0.25 deg. With the current AoA accuracy target at LaRC being 0.01 deg., there is a dire need for improvement. With other errors in the inertial system (temperature, rectification, resolution, etc.) having been reduced to acceptable levels, a system is currently being developed at LaRC to measure and correct for the sting-whip-induced errors. By using miniaturized piezoelectric accelerometers and magnetohydrodynamic rate sensors, not only can the total centrifugal acceleration be measured, but yaw and pitch dynamics in the tunnel can also be characterized. These corrections can be used to determine a tunnel's past performance and can also indicate where efforts need to be concentrated to reduce these dynamics. Included in this paper are data on individual sensors, laboratory testing techniques, package evaluation, and wind tunnel test results on a High Speed Research (HSR) model in the Langley 16-Foot Transonic Wind Tunnel.
Mancini, John S; Bowman, Joel M
2013-03-28
We report a global, full-dimensional, ab initio potential energy surface describing the HCl-H2O dimer. The potential is constructed from a permutationally invariant fit, using Morse-like variables, to over 44,000 CCSD(T)-F12b∕aug-cc-pVTZ energies. The surface describes the complex and dissociated monomers with a total RMS fitting error of 24 cm(-1). The normal modes of the minima, low-energy saddle point and separated monomers, the double minimum isomerization pathway and electronic dissociation energy are accurately described by the surface. Rigorous quantum mechanical diffusion Monte Carlo (DMC) calculations are performed to determine the zero-point energy and wavefunction of the complex and the separated fragments. The calculated zero-point energies together with a De value calculated from CCSD(T) with a complete basis set extrapolation gives a D0 value of 1348 ± 3 cm(-1), in good agreement with the recent experimentally reported value of 1334 ± 10 cm(-1) [B. E. Casterline, A. K. Mollner, L. C. Ch'ng, and H. Reisler, J. Phys. Chem. A 114, 9774 (2010)]. Examination of the DMC wavefunction allows for confident characterization of the zero-point geometry to be dominant at the C(2v) double-well saddle point and not the C(s) global minimum. Additional support for the delocalized zero-point geometry is given by numerical solutions to the 1D Schrödinger equation along the imaginary-frequency out-of-plane bending mode, where the zero-point energy is calculated to be 52 cm(-1) above the isomerization barrier. The D0 of the fully deuterated isotopologue is calculated to be 1476 ± 3 cm(-1), which we hope will stand as a benchmark for future experimental work.
Barragán, Patricia; Pérez de Tudela, Ricardo; Qu, Chen; Prosmiti, Rita; Bowman, Joel M
2013-07-14
Diffusion Monte Carlo (DMC) and path-integral Monte Carlo computations of the vibrational ground state and 10 K equilibrium state properties of the H7 (+)/D7 (+) cations are presented, using an ab initio full-dimensional potential energy surface. The DMC zero-point energies of dissociated fragments H5 (+)(D5 (+))+H2(D2) are also calculated and from these results and the electronic dissociation energy, dissociation energies, D0, of 752 ± 15 and 980 ± 14 cm(-1) are reported for H7 (+) and D7 (+), respectively. Due to the known error in the electronic dissociation energy of the potential surface, these quantities are underestimated by roughly 65 cm(-1). These values are rigorously determined for first time, and compared with previous theoretical estimates from electronic structure calculations using standard harmonic analysis, and available experimental measurements. Probability density distributions are also computed for the ground vibrational and 10 K state of H7 (+) and D7 (+). These are qualitatively described as a central H3 (+)/D3 (+) core surrounded by "solvent" H2/D2 molecules that nearly freely rotate.
Qu, Chen; Bowman, Joel M
2016-09-14
We report a full-dimensional, permutationally invariant potential energy surface (PES) for the cyclic formic acid dimer. This PES is a least-squares fit to 13475 CCSD(T)-F12a/haTZ (VTZ for H and aVTZ for C and O) energies. The energy-weighted, root-mean-square fitting error is 11 cm -1 and the barrier for the double-proton transfer on the PES is 2848 cm -1 , in good agreement with the directly-calculated ab initio value of 2853 cm -1 . The zero-point vibrational energy of 15 337 ± 7 cm -1 is obtained from diffusion Monte Carlo calculations. Energies of fundamentals of fifteen modes are calculated using the vibrational self-consistent field and virtual-state configuration interaction method. The ground-state tunneling splitting is computed using a reduced-dimensional Hamiltonian with relaxed potentials. The highest-level, four-mode coupled calculation gives a tunneling splitting of 0.037 cm -1 , which is roughly twice the experimental value. The tunneling splittings of (DCOOH) 2 and (DCOOD) 2 from one to three mode calculations are, as expected, smaller than that for (HCOOH) 2 and consistent with experiment.
Bhattacharya, Rupak; Mondal, Richarj; Khatua, Pradip; Rudra, Alok; Kapon, Eli; Malzer, Stefan; Döhler, Gottfried; Pal, Bipul; Bansal, Bhavtosh
2015-01-30
We study a specific type of lifetime broadening resulting in the well-known exponential "Urbach tail" density of states within the energy gap of an insulator. After establishing the frequency and temperature dependence of the Urbach edge in GaAs quantum wells, we show that the broadening due to the zero-point optical phonons is the fundamental limit to the Urbach slope in high-quality samples. In rough analogy with Welton's heuristic interpretation of the Lamb shift, the zero-temperature contribution to the Urbach slope can be thought of as arising from the electric field of the zero-point longitudinal-optical phonons. The value of this electric field is experimentally measured to be 3 kV cm-1, in excellent agreement with the theoretical estimate.
Vibrational renormalisation of the electronic band gap in hexagonal and cubic ice
Engel, Edgar A., E-mail: eae32@cam.ac.uk; Needs, Richard J.; Monserrat, Bartomeu
2015-12-28
Electron-phonon coupling in hexagonal and cubic water ice is studied using first-principles quantum mechanical methods. We consider 29 distinct hexagonal and cubic ice proton-orderings with up to 192 molecules in the simulation cell to account for proton-disorder. We find quantum zero-point vibrational corrections to the minimum electronic band gaps ranging from −1.5 to −1.7 eV, which leads to improved agreement between calculated and experimental band gaps. Anharmonic nuclear vibrations play a negligible role in determining the gaps. Deuterated ice has a smaller band-gap correction at zero-temperature of −1.2 to −1.4 eV. Vibrations reduce the differences between the electronic band gapsmore » of different proton-orderings from around 0.17 eV to less than 0.05 eV, so that the electronic band gaps of hexagonal and cubic ice are almost independent of the proton-ordering when quantum nuclear vibrations are taken into account. The comparatively small reduction in the band gap over the temperature range 0 − 240 K of around 0.1 eV does not depend on the proton ordering, or whether the ice is protiated or deuterated, or hexagonal, or cubic. We explain this in terms of the atomistic origin of the strong electron-phonon coupling in ice.« less
NASA Astrophysics Data System (ADS)
1996-04-01
Fallout of volcanic ash to the deep South China Sea induced by the 1991 eruption of Mount Pinatubo (Philippines): Correction Geology, v. 23, p. 885 888 (October 1995) On p. 885, the last sentence of the Introduction should be: Here we report the first in situ record of a submarine fallout of volcanic ash following one of the largest magnitude subaerial eruptions of this century, the June 15, 1991, paroxysmal explosion of Mount Pinatubo (lat 15.148, long 120.358) in the Philippines. The first sentence under the head SUBMARINE FALLOUT MONITORING AND COMPOSITION should be: Fallout of Pinatubo tephra was recorded by fully automated collection devices (sediment traps) moored in 1190 and 3730 m water depth at 14.608N, 115.108E (Fig. 1). On p. 886, center column, the second sentence under the head LINKS TO SUBAERIAL ASH-PLUME MOVEMENT should be: Ash was ejected to a maximum altitude of 35 40 km, and at about14:20 the cloud spread out laterally into a giant umbrella region between 25 and 30 km altitude.
Marashdeh, Ali; Frankcombe, Terry J
2008-06-21
The dehydrogenation enthalpies of Ca(AlH(4))(2), CaAlH(5), and CaH(2)+6LiBH(4) have been calculated using density functional theory calculations at the generalized gradient approximation level. Harmonic phonon zero point energy (ZPE) corrections have been included using Parlinski's direct method. The dehydrogenation of Ca(AlH(4))(2) is exothermic, indicating a metastable hydride. Calculations for CaAlH(5) including ZPE effects indicate that it is not stable enough for a hydrogen storage system operating near ambient conditions. The destabilized combination of LiBH(4) with CaH(2) is a promising system after ZPE-corrected enthalpy calculations. The calculations confirm that including ZPE effects in the harmonic approximation for the dehydrogenation of Ca(AlH(4))(2), CaAlH(5), and CaH(2)+6LiBH(4) has a significant effect on the calculated reaction enthalpy. The contribution of ZPE to the dehydrogenation enthalpies of Ca(AlH(4))(2) and CaAlH(5) calculated by the direct method phonon analysis was compared to that calculated by the frozen-phonon method. The crystal structure of CaAlH(5) is presented in the more useful standard setting of P2(1)c symmetry and the phonon density of states of CaAlH(5), significantly different to other common complex metal hydrides, is rationalized.
NASA Astrophysics Data System (ADS)
Marashdeh, Ali; Frankcombe, Terry J.
2008-06-01
The dehydrogenation enthalpies of Ca(AlH4)2, CaAlH5, and CaH2+6LiBH4 have been calculated using density functional theory calculations at the generalized gradient approximation level. Harmonic phonon zero point energy (ZPE) corrections have been included using Parlinski's direct method. The dehydrogenation of Ca(AlH4)2 is exothermic, indicating a metastable hydride. Calculations for CaAlH5 including ZPE effects indicate that it is not stable enough for a hydrogen storage system operating near ambient conditions. The destabilized combination of LiBH4 with CaH2 is a promising system after ZPE-corrected enthalpy calculations. The calculations confirm that including ZPE effects in the harmonic approximation for the dehydrogenation of Ca(AlH4)2, CaAlH5, and CaH2+6LiBH4 has a significant effect on the calculated reaction enthalpy. The contribution of ZPE to the dehydrogenation enthalpies of Ca(AlH4)2 and CaAlH5 calculated by the direct method phonon analysis was compared to that calculated by the frozen-phonon method. The crystal structure of CaAlH5 is presented in the more useful standard setting of P21/c symmetry and the phonon density of states of CaAlH5, significantly different to other common complex metal hydrides, is rationalized.
Cannuccia, Elena; Marini, Andrea
2011-12-16
The quantum zero-point motion of the carbon atoms is shown to induce strong effects on the optical and electronic properties of diamond and trans-polyacetylene, a conjugated polymer. By using an ab initio approach, we interpret the subgap states experimentally observed in diamond in terms of entangled electron-phonon states. These states also appear in trans-polyacetylene causing the formation of strong structures in the band structure that even call into question the accuracy of the band theory. This imposes a critical revision of the results obtained for carbon-based nanostructures by assuming the atoms frozen in their equilibrium positions. © 2011 American Physical Society
Reiter, G F; Senesi, R; Mayers, J
2010-10-01
The measured changes in the zero-point kinetic energy of the protons are entirely responsible for the binding energy of water molecules to A phase DNA at the concentration of 6 water molecules/base pair. The changes in kinetic energy can be expected to be a significant contribution to the energy balance in intracellular biological processes and the properties of nano-confined water. The shape of the momentum distribution in the dehydrated A phase is consistent with coherent delocalization of some of the protons in a double well potential, with a separation of the wells of 0.2 Å.
Stochastic many-body perturbation theory for anharmonic molecular vibrations
Hermes, Matthew R.; Hirata, So, E-mail: sohirata@illinois.edu; CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012
2014-08-28
A new quantum Monte Carlo (QMC) method for anharmonic vibrational zero-point energies and transition frequencies is developed, which combines the diagrammatic vibrational many-body perturbation theory based on the Dyson equation with Monte Carlo integration. The infinite sums of the diagrammatic and thus size-consistent first- and second-order anharmonic corrections to the energy and self-energy are expressed as sums of a few m- or 2m-dimensional integrals of wave functions and a potential energy surface (PES) (m is the vibrational degrees of freedom). Each of these integrals is computed as the integrand (including the value of the PES) divided by the value ofmore » a judiciously chosen weight function evaluated on demand at geometries distributed randomly but according to the weight function via the Metropolis algorithm. In this way, the method completely avoids cumbersome evaluation and storage of high-order force constants necessary in the original formulation of the vibrational perturbation theory; it furthermore allows even higher-order force constants essentially up to an infinite order to be taken into account in a scalable, memory-efficient algorithm. The diagrammatic contributions to the frequency-dependent self-energies that are stochastically evaluated at discrete frequencies can be reliably interpolated, allowing the self-consistent solutions to the Dyson equation to be obtained. This method, therefore, can compute directly and stochastically the transition frequencies of fundamentals and overtones as well as their relative intensities as pole strengths, without fixed-node errors that plague some QMC. It is shown that, for an identical PES, the new method reproduces the correct deterministic values of the energies and frequencies within a few cm{sup −1} and pole strengths within a few thousandths. With the values of a PES evaluated on the fly at random geometries, the new method captures a noticeably greater proportion of anharmonic effects.« less
Pérez de Tudela, Ricardo; Aoiz, F J; Suleimanov, Yury V; Manolopoulos, David E
2012-02-16
A fundamental issue in the field of reaction dynamics is the inclusion of the quantum mechanical (QM) effects such as zero point energy (ZPE) and tunneling in molecular dynamics simulations, and in particular in the calculation of chemical reaction rates. In this work we study the chemical reaction between a muonium atom and a hydrogen molecule. The recently developed ring polymer molecular dynamics (RPMD) technique is used, and the results are compared with those of other methods. For this reaction, the thermal rate coefficients calculated with RPMD are found to be in excellent agreement with the results of an accurate QM calculation. The very minor discrepancies are within the convergence error even at very low temperatures. This exceptionally good agreement can be attributed to the dominant role of ZPE in the reaction, which is accounted for extremely well by RPMD. Tunneling only plays a minor role in the reaction.
NASA Astrophysics Data System (ADS)
Inan, Nader A.
The response of a superconductor to a gravitational wave is shown to obey a London-like constituent equation. The Cooper pairs are described by the Ginzburg-Landau free energy density embedded in curved spacetime. The lattice ions are modeled by quantum harmonic oscillators characterized by quasi-energy eigenvalues. This formulation is shown to predict a dynamical Casimir effect since the zero-point energy of the ionic lattice phonons is modulated by the gravitational wave. It is also shown that the response to a gravitational wave is far less for the Cooper pair density than for the ionic lattice. This predicts a “charge separation effect” which can be used to detect the passage of a gravitational wave.
NASA Astrophysics Data System (ADS)
Franchini, C.; Sanna, A.; Marsman, M.; Kresse, G.
2010-02-01
BaBiO3 is characterized by a charge disproportionation with half of the Bi atoms possessing a valence 3+ and half a valence 5+ . Because of self-interaction errors, local- and semilocal-density functionals fail to describe the charge disproportionation quantitatively, yielding a too small structural distortion and no band gap. Using hybrid functionals, we obtain a satisfactory description of the structural, electronic, optical, and vibrational properties of BaBiO3 . The results obtained using GW (Green’s function G and screened Coulomb potential W) based schemes on top of hybrid functionals, including fully self-consistent GW calculations with vertex corrections in the dielectric screening, qualitatively confirm the Heyd-Scuseria-Ernzerhof picture but a systematic overestimation of the band gap by about 0.4 eV is observed.
NASA Astrophysics Data System (ADS)
Muguet, Francis F.; Robinson, G. Wilse; Bassez-Muguet, M. Palmyre
1995-03-01
With the help of a new scheme to correct for the basis set superposition error (BSSE), we find that an eclipsed nonlinear geometry becomes energetically favored over the eclipsed linear hydrogen-bonded geometry. From a normal mode analysis of the potential energy surface (PES) in the vicinity of the nonlinear geometry, we suggest that several dynamical interchange pathways must be taken into account. The minimal molecular symmetry group to be considered should be the double group of G36, but still larger multiple groups may be required. An interpretation of experimental vibration-rotation-tunneling (VRT) data in terms of the G144 group, which implies monomer inversions, may not be the only alternative. It appears that group theoretical considerations alone are insufficient for understanding the complex VRT dynamics of the ammonia dimer.
Brambleby, J.; Goddard, P. A.; Singleton, John; ...
2017-01-05
We present the magnetic and thermal properties of the bosonic-superfluid phase in a spin-dimer network using both quasistatic and rapidly changing pulsed magnetic fields. The entropy derived from a heat-capacity study reveals that the pulsed-field measurements are strongly adiabatic in nature and are responsible for the onset of a significant magnetocaloric effect (MCE). In contrast to previous predictions we show that the MCE is not just confined to the critical regions, but occurs for all fields greater than zero at sufficiently low temperatures. We explain the MCE using a model of the thermal occupation of exchange-coupled dimer spin states andmore » highlight that failure to take this effect into account inevitably leads to incorrect interpretations of experimental results. In addition, the heat capacity in our material is suggestive of an extraordinary contribution from zero-point fluctuations and appears to indicate universal behavior with different critical exponents at the two field-induced critical points. Finally, the data at the upper critical point, combined with the layered structure of the system, are consistent with a two-dimensional nature of spin excitations in the system.« less
Marques, J M C; Martínez-Núñez, E; Fernandez-Ramos, A; Vazquez, S A
2005-06-23
Large-scale classical trajectory calculations have been performed to study the reaction Ar + CH4--> CH3 +H + Ar in the temperature range 2500 < or = T/K < or = 4500. The potential energy surface used for ArCH4 is the sum of the nonbonding pairwise potentials of Hase and collaborators (J. Chem. Phys. 2001, 114, 535) that models the intermolecular interaction and the CH4 intramolecular potential of Duchovic et al. (J. Phys. Chem. 1984, 88, 1339), which has been modified to account for the H-H repulsion at small bending angles. The thermal rate coefficient has been calculated, and the zero-point energy (ZPE) of the CH3 product molecule has been taken into account in the analysis of the results; also, two approaches have been applied for discarding predissociative trajectories. In both cases, good agreement is observed between the experimental and trajectory results after imposing the ZPE of CH3. The energy-transfer parameters have also been obtained from trajectory calculations and compared with available values estimated from experiment using the master equation formalism; in general, the agreement is good.
Morello, A; Millán, A; de Jongh, L J
2014-03-21
A single-molecule magnet placed in a magnetic field perpendicular to its anisotropy axis can be truncated to an effective two-level system, with easily tunable energy splitting. The quantum coherence of the molecular spin is largely determined by the dynamics of the surrounding nuclear spin bath. Here we report the measurement of the nuclear spin-lattice relaxation rate 1/T1n in a single crystal of the single-molecule magnet Mn12-ac, at T ≈ 30 mK in perpendicular fields B⊥ up to 9 T. The relaxation channel at B ≈ 0 is dominated by incoherent quantum tunneling of the Mn12-ac spin S, aided by the nuclear bath itself. However for B⊥>5 T we observe an increase of 1/T1n by several orders of magnitude up to the highest field, despite the fact that the molecular spin is in its quantum mechanical ground state. This striking observation is a consequence of the zero-point quantum fluctuations of S, which allow it to mediate the transfer of energy from the excited nuclear spin bath to the crystal lattice at much higher rates. Our experiment highlights the importance of quantum fluctuations in the interaction between an "effective two-level system" and its surrounding spin bath.
Gruet, S; Goubet, M; Pirali, O
2014-06-21
Polycyclic aromatic hydrocarbons (PAHs) molecules are suspected to be present in the interstellar medium and to participate to the broad and unresolved emissions features, the so-called unidentified infrared bands. In the laboratory, very few studies report the rotationally resolved structure of such important class of molecules. In the present work, both experimental and theoretical approaches provide the first accurate determination of the rotational energy levels of two diazanaphthalene: [1,5]- and [1,6]-naphthyridine. [1,6]-naphthyridine has been studied at high resolution, in the microwave (MW) region using a Fourier transform microwave spectrometer and in the far-infrared (FIR) region using synchrotron-based Fourier transform spectroscopy. The very accurate set of ground state (GS) constants deduced from the analysis of the MW spectrum allowed the analysis of the most intense modes in the FIR (ν38-GS centered at about 483 cm(-1) and ν34-GS centered at about 842 cm(-1)). In contrast with [1,6]-naphthyridine, pure rotation spectroscopy of [1,5]-naphthyridine cannot be performed for symmetry reasons so the combined study of the two intense FIR modes (ν22-GS centered at about 166 cm(-1) and ν18-GS centered at about 818 cm(-1)) provided the GS and the excited states constants. Although the analysis of the very dense rotational patterns for such large molecules remains very challenging, relatively accurate anharmonic density functional theory calculations appeared as a highly relevant supporting tool to the analysis for both molecules. In addition, the good agreement between the experimental and calculated infrared spectrum shows that the present theoretical approach should provide useful data for the astrophysical models. Moreover, inertial defects calculated in the GS (ΔGS) of both molecules exhibit slightly negative values as previously observed for planar species of this molecular family. We adjusted the semi-empirical relations to estimate the zero-point
Park, G. Barratt; Jiang, Jun; Saladrigas, Catherine A.; ...
2016-04-14
Here, the C 1B 2 state of SO 2 has a double-minimum potential in the antisymmetric stretch coordinate, such that the minimum energy geometry has nonequivalent SO bond lengths. However, low-lying levels with odd quanta of antisymmetric stretch (b 2 vibrational symmetry) have not previously been observed because transitions into these levels from the zero-point level of the X ~ state are vibronically forbidden. We use IR-UV double resonance to observe the b 2 vibrational levels of the C state below 1600 cm –1 of vibrational excitation. This enables a direct characterization of the vibrational level staggering that results frommore » the double-minimum potential. In addition, it allows us to deperturb the strong c-axis Coriolis interactions between levels of a 1 and b 2 vibrational symmetry, and to determine accurately the vibrational dependence of the rotational constants in the distorted C electronic state.« less
Park, G. Barratt; Jiang, Jun; Saladrigas, Catherine A.
Here, the C 1B 2 state of SO 2 has a double-minimum potential in the antisymmetric stretch coordinate, such that the minimum energy geometry has nonequivalent SO bond lengths. However, low-lying levels with odd quanta of antisymmetric stretch (b 2 vibrational symmetry) have not previously been observed because transitions into these levels from the zero-point level of the X ~ state are vibronically forbidden. We use IR-UV double resonance to observe the b 2 vibrational levels of the C state below 1600 cm –1 of vibrational excitation. This enables a direct characterization of the vibrational level staggering that results frommore » the double-minimum potential. In addition, it allows us to deperturb the strong c-axis Coriolis interactions between levels of a 1 and b 2 vibrational symmetry, and to determine accurately the vibrational dependence of the rotational constants in the distorted C electronic state.« less
Keske, John C; Lin, Wei; Pringle, Wallace C; Novick, Stewart E; Blake, Thomas A; Plusquellic, David F
2006-02-21
Rotationally resolved microwave (MW) and ultraviolet (UV) spectra of jet-cooled tropolone have been obtained in S(0) and S(1) electronic states using Fourier-transform microwave and UV-laser/molecular-beam spectrometers. In the ground electronic state, the MW spectra of all heavy-atom isotopomers including one (18)O and four (13)C isotopomers were observed in natural abundance. The OD isotopomer was obtained from isotopically enriched samples. The two lowest tunneling states of each isotopomer except (18)O have been assigned. The observed inversion splitting for the OD isotopomer is 1523.227(5) MHz. For the asymmetric (13)C structures, the magnitudes of tunneling-rotation interactions are found to diminish with decreasing distance between the heavy atom and the tunneling proton. In the limit of closest approach, the 0(+) state of (18)O was well fitted to an asymmetric rotor Hamiltonian, reflecting significant changes in the tautomerization dynamics. Comparisons of the substituted atom coordinates with theoretical predictions at the MP2/aug-cc-pVTZ level of theory suggest the localized 0(+) and 0(-) wave functions of the heavier isotopes favor the C-OH and C=O forms of tropolone, respectively. The only exception occurs for the (13)C-OH and (13)C[Double Bond]O structures which correlate to the 0(-) and 0(+) states, respectively. These preferences reflect kinetic isotope effects as quantitatively verified by the calculated zero-point energy differences between members of the asymmetric atom pairs. From rotationally resolved data of the 0(+) <--0(+) and 0(-) <--0(-) bands in S(1), line-shape fits have yielded Lorentzian linewidths that differ by 12.2(16) MHz over the 19.88(4) cm(-1) interval in S(1). The fluorescence decay rates together with previously reported quantum yield data give nonradiative decay rates of 7.7(5) x 10(8) and 8.5(5) x 10(8) s(-1) for the 0(+) and 0(-) levels of the S(1) state of tropolone.
NASA Astrophysics Data System (ADS)
Dolgonos, Grygoriy A.; Peslherbe, Gilles H.
2016-10-01
The 2H2@C60 minimum structure of C2 symmetry has been fully characterized at the density-fitting local second-order Møller-Plesset (DF-LMP2) level of theory. Its uncorrected and zero-point energy (ZPE) corrected complexation energies equal 1.9 and 6.2 kcal/mol, respectively, confirming the instability of the complex. This structure exhibits the largest intermolecular host-guest and guest-guest separations among all the complexes studied in this work. The calculated infrared spectrum of 2H2@C60 does not show any frequency shifts for the modes associated with radial or tangential displacements in C60 (except for one mode), but shows a weak red Hsbnd H vibrational frequency shift.
NASA Technical Reports Server (NTRS)
Green, C.
1971-01-01
Guidelines of the methods and applications used in vibration technology at the MSFC are presented. The purpose of the guidelines is to provide a practical tool for coordination and understanding between industry and government groups concerned with vibration of systems and equipments. Topics covered include measuring, reducing, analyzing, and methods for obtaining simulated environments and formulating vibration specifications. Methods for vibration and shock testing, theoretical aspects of data processing, vibration response analysis, and techniques of designing for vibration are also presented.
Rusakova, Irina L; Rusakov, Yuriy Yu; Krivdin, Leonid B
2017-06-29
Four-component relativistic calculations of 125 Te NMR chemical shifts were performed in the series of 13 organotellurium compounds, potential precursors of the biologically active species, at the density functional theory level under the nonrelativistic and four-component fully relativistic conditions using locally dense basis set scheme derived from relativistic Dyall's basis sets. The relativistic effects in tellurium chemical shifts were found to be of as much as 20-25% of the total calculated values. The vibrational and solvent corrections to 125 Te NMR chemical shifts are about, accordingly, 6 and 8% of their total values. The PBE0 exchange-correlation functional turned out to give the best agreement of calculated tellurium shifts with their experimental values giving the mean absolute percentage error of 4% in the range of ∼1000 ppm, provided all corrections are taken into account.
Gaĭvoronskiĭ, I V; Iordanishvili, A K; Kovalevskiĭ, A M
2013-01-01
The effect of chronic exposure to general vibration on the state of hemomicrocirculatory bed in the organs of rat masticatory apparatus and the efficacy of antihypoxants and adaptogens for its pharmacological prophylaxis was studied. The experiments were performed in 210 albino male rats aged 8 to 30 weeks. The intact rats served as control. Transcapillary injections with 1% collargol solution, histological, electron microscopic and morphometric methods were used. It was found that chronic exposure to general vibration induced a hemodynamic disturbances at the level of hemomicrocirculatory bed vessels in the organs of masticatory apparatus with subsequent hypoxia. Electron microscopic study revealed the damage of the cellular ultrastructure in the endotheliocytes of blood vessels of the hemomicrocirculatory bed. Antihypoxants, adaptogens and their combinations demonstrated a pronounced protective effect
Jankowska, Marzena; Kupka, Teobald; Stobiński, Leszek; Faber, Rasmus; Lacerda, Evanildo G; Sauer, Stephan P A
2016-02-05
Hartree-Fock and density functional theory with the hybrid B3LYP and general gradient KT2 exchange-correlation functionals were used for nonrelativistic and relativistic nuclear magnetic shielding calculations of helium, neon, argon, krypton, and xenon dimers and free atoms. Relativistic corrections were calculated with the scalar and spin-orbit zeroth-order regular approximation Hamiltonian in combination with the large Slater-type basis set QZ4P as well as with the four-component Dirac-Coulomb Hamiltonian using Dyall's acv4z basis sets. The relativistic corrections to the nuclear magnetic shieldings and chemical shifts are combined with nonrelativistic coupled cluster singles and doubles with noniterative triple excitations [CCSD(T)] calculations using the very large polarization-consistent basis sets aug-pcSseg-4 for He, Ne and Ar, aug-pcSseg-3 for Kr, and the AQZP basis set for Xe. For the dimers also, zero-point vibrational (ZPV) corrections are obtained at the CCSD(T) level with the same basis sets were added. Best estimates of the dimer chemical shifts are generated from these nuclear magnetic shieldings and the relative importance of electron correlation, ZPV, and relativistic corrections for the shieldings and chemical shifts is analyzed. © 2015 Wiley Periodicals, Inc.
NASA Astrophysics Data System (ADS)
Kesharwani, Manoj K.; Sylvetsky, Nitai; Martin, Jan M. L.
2017-11-01
We show that the DCSD (distinguishable clusters with all singles and doubles) correlation method permits the calculation of vibrational spectra at near-CCSD(T) quality but at no more than CCSD cost, and with comparatively inexpensive analytical gradients. For systems dominated by a single reference configuration, even MP2.5 is a viable alternative, at MP3 cost. MP2.5 performance for vibrational frequencies is comparable to double hybrids such as DSD-PBEP86-D3BJ, but without resorting to empirical parameters. DCSD is also quite suitable for computing zero-point vibrational energies in computational thermochemistry.
The Stranger: Adventures at Zero Point
ERIC Educational Resources Information Center
Heraud, Richard
2013-01-01
In one of his notebooks, Albert Camus describes, "The stranger," "The myth of Sisyphus," "Caligula" and "The misunderstanding" as pertaining to a series; a schema that suggests that if one were to write about one of these literary works, one would be writing about parts of a whole unless one also engaged…
Experiences with nonsynchronous forced vibration in centrifugal compressors
NASA Technical Reports Server (NTRS)
Smith, D. R.; Wachel, J. C.
1984-01-01
The high subsynchronous vibrations which are often forced vibrations caused by flow instabilities, such as stage stall were examined. Modifications to improve the rotor stability by changing the bearings or seals have little effects on the subsynchronous vibrations. Understanding of the differences between forced vibrations and self excited vibrations to properly diagnose the problem and to correct it, is recommended. A list of characteristics of the two types of subsynchronous vibration is presented.
NASA Astrophysics Data System (ADS)
Ljungberg, Mathias P.
2017-12-01
A method is presented for describing vibrational effects in x-ray absorption spectroscopy and resonant inelastic x-ray scattering (RIXS) using a combination of the classical Franck-Condon (FC) approximation and classical trajectories run on the core-excited state. The formulation of RIXS is an extension of the semiclassical Kramers-Heisenberg formalism of Ljungberg et al. [Phys. Rev. B 82, 245115 (2010), 10.1103/PhysRevB.82.245115] to the resonant case, retaining approximately the same computational cost. To overcome difficulties with connecting the absorption and emission processes in RIXS, the classical FC approximation is used for the absorption, which is seen to work well provided that a zero-point-energy correction is included. In the case of core-excited states with dissociative character, the method is capable of closely reproducing the main features for one-dimensional test systems, compared to the quantum-mechanical formulation. Due to the good accuracy combined with the relatively low computational cost, the method has great potential of being used for complex systems with many degrees of freedom, such as liquids and surface adsorbates.
Vibrational energies for HFCO using a neural network sum of exponentials potential energy surface
Pradhan, Ekadashi; Brown, Alex, E-mail: alex.brown@ualberta.ca
2016-05-07
A six-dimensional potential energy surface (PES) for formyl fluoride (HFCO) is fit in a sum-of-products form using neural network exponential fitting functions. The ab initio data upon which the fit is based were computed at the explicitly correlated coupled cluster with single, double, and perturbative triple excitations [CCSD(T)-F12]/cc-pVTZ-F12 level of theory. The PES fit is accurate (RMSE = 10 cm{sup −1}) up to 10 000 cm{sup −1} above the zero point energy and covers most of the experimentally measured IR data. The PES is validated by computing vibrational energies for both HFCO and deuterated formyl fluoride (DFCO) using block improved relaxationmore » with the multi-configuration time dependent Hartree approach. The frequencies of the fundamental modes, and all other vibrational states up to 5000 cm{sup −1} above the zero-point energy, are more accurate than those obtained from the previous MP2-based PES. The vibrational frequencies obtained on the PES are compared to anharmonic frequencies at the MP2/aug-cc-pVTZ and CCSD(T)/aug-cc-pVTZ levels of theory obtained using second-order vibrational perturbation theory. The new PES will be useful for quantum dynamics simulations for both HFCO and DFCO, e.g., studies of intramolecular vibrational redistribution leading to unimolecular dissociation and its laser control.« less
Wang, Xiaohong; Bowman, Joel M
2013-02-12
We calculate the probabilities for the association reactions H+HCN→H2CN* and cis/trans-HCNH*, using quasiclassical trajectory (QCT) and classical trajectory (CT) calculations, on a new global ab initio potential energy surface (PES) for H2CN including the reaction channels. The surface is a linear least-squares fit of roughly 60 000 CCSD(T)-F12b/aug-cc-pVDZ electronic energies, using a permutationally invariant basis with Morse-type variables. The reaction probabilities are obtained at a variety of collision energies and impact parameters. Large differences in the threshold energies in the two types of dynamics calculations are traced to the absence of zero-point energy in the CT calculations. We argue that the QCT threshold energy is the realistic one. In addition, trajectories find a direct pathway to trans-HCNH, even though there is no obvious transition state (TS) for this pathway. Instead the saddle point (SP) for the addition to cis-HCNH is evidently also the TS for direct formation of trans-HCNH.
Vibrational treatment of the formic acid double minimum case in valence coordinates
NASA Astrophysics Data System (ADS)
Richter, Falk; Carbonnière, P.
2018-02-01
One single full dimensional valence coordinate HCOOH ground state potential energy surface accurate for both cis and trans conformers for all levels up to 6000 cm-1 relative to trans zero point energy has been generated at CCSD(T)-F12a/aug-cc-pVTZ level. The fundamentals and a set of eigenfunctions complete up to about 3120 and 2660 cm-1 for trans- and cis-HCOOH, respectively, have been calculated and assigned using the improved relaxation method of the Heidelberg multi-configuration time-dependent Hartree package and an exact expression for the kinetic energy in valence coordinates generated by the TANA program. The calculated trans fundamental transition frequencies agree with experiment to within 5 cm-1. A few reassignments are suggested. Our results discard any cis trans delocalization effects for vibrational eigenfunctions up to 3640 cm-1 relative to trans zero point energy.
Hauth, J.J.
1962-07-01
A method of compacting a powder in a metal container is described including the steps of vibrating the container at above and below the resonant frequency and also sweeping the frequency of vibration across the resonant frequency several times thereby following the change in resonant frequency caused by compaction of the powder. (AEC)
Intensity-corrected Herschel Observations of Nearby Isolated Low-mass Clouds
NASA Astrophysics Data System (ADS)
Sadavoy, Sarah I.; Keto, Eric; Bourke, Tyler L.; Dunham, Michael M.; Myers, Philip C.; Stephens, Ian W.; Di Francesco, James; Webb, Kristi; Stutz, Amelia M.; Launhardt, Ralf; Tobin, John J.
2018-01-01
We present intensity-corrected Herschel maps at 100, 160, 250, 350, and 500 μm for 56 isolated low-mass clouds. We determine the zero-point corrections for Herschel Photodetector Array Camera and Spectrometer (PACS) and Spectral Photometric Imaging Receiver (SPIRE) maps from the Herschel Science Archive (HSA) using Planck data. Since these HSA maps are small, we cannot correct them using typical methods. Here we introduce a technique to measure the zero-point corrections for small Herschel maps. We use radial profiles to identify offsets between the observed HSA intensities and the expected intensities from Planck. Most clouds have reliable offset measurements with this technique. In addition, we find that roughly half of the clouds have underestimated HSA-SPIRE intensities in their outer envelopes relative to Planck, even though the HSA-SPIRE maps were previously zero-point corrected. Using our technique, we produce corrected Herschel intensity maps for all 56 clouds and determine their line-of-sight average dust temperatures and optical depths from modified blackbody fits. The clouds have typical temperatures of ∼14–20 K and optical depths of ∼10‑5–10‑3. Across the whole sample, we find an anticorrelation between temperature and optical depth. We also find lower temperatures than what was measured in previous Herschel studies, which subtracted out a background level from their intensity maps to circumvent the zero-point correction. Accurate Herschel observations of clouds are key to obtaining accurate density and temperature profiles. To make such future analyses possible, intensity-corrected maps for all 56 clouds are publicly available in the electronic version. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.
"Vibrational bonding": a new type of chemical bond is discovered.
Rhodes, Christopher J; Macrae, Roderick M
2015-01-01
A long-sought but elusive new type of chemical bond, occurring on a minimum-free, purely repulsive potential energy surface, has recently been convincingly shown to be possible on the basis of high-level quantum-chemical calculations. This type of bond, termed a vibrational bond, forms because the total energy, including the dynamical energy of the nuclei, is lower than the total energy of the dissociated products, including their vibrational zero-point energy. For this to be the case, the ZPE of the product molecule must be very high, which is ensured by replacing a conventional hydrogen atom with its light isotope muonium (Mu, mass = 1/9 u) in the system Br-H-Br, a natural transition state in the reaction between Br and HBr. A paramagnetic species observed in the reaction Mu +Br2 has been proposed as a first experimental sighting of this species, but definitive identification remains challenging.
Alecu, I M; Zheng, Jingjing; Zhao, Yan; Truhlar, Donald G
2010-09-14
Optimized scale factors for calculating vibrational harmonic and fundamental frequencies and zero-point energies have been determined for 145 electronic model chemistries, including 119 based on approximate functionals depending on occupied orbitals, 19 based on single-level wave function theory, three based on the neglect-of-diatomic-differential-overlap, two based on doubly hybrid density functional theory, and two based on multicoefficient correlation methods. Forty of the scale factors are obtained from large databases, which are also used to derive two universal scale factor ratios that can be used to interconvert between scale factors optimized for various properties, enabling the derivation of three key scale factors at the effort of optimizing only one of them. A reduced scale factor optimization model is formulated in order to further reduce the cost of optimizing scale factors, and the reduced model is illustrated by using it to obtain 105 additional scale factors. Using root-mean-square errors from the values in the large databases, we find that scaling reduces errors in zero-point energies by a factor of 2.3 and errors in fundamental vibrational frequencies by a factor of 3.0, but it reduces errors in harmonic vibrational frequencies by only a factor of 1.3. It is shown that, upon scaling, the balanced multicoefficient correlation method based on coupled cluster theory with single and double excitations (BMC-CCSD) can lead to very accurate predictions of vibrational frequencies. With a polarized, minimally augmented basis set, the density functionals with zero-point energy scale factors closest to unity are MPWLYP1M (1.009), τHCTHhyb (0.989), BB95 (1.012), BLYP (1.013), BP86 (1.014), B3LYP (0.986), MPW3LYP (0.986), and VSXC (0.986).
NASA Astrophysics Data System (ADS)
Yu, Haoyu S.; Fiedler, Lucas J.; Alecu, I. M.; Truhlar, Donald G.
2017-01-01
We present a Python program, FREQ, for calculating the optimal scale factors for calculating harmonic vibrational frequencies, fundamental vibrational frequencies, and zero-point vibrational energies from electronic structure calculations. The program utilizes a previously published scale factor optimization model (Alecu et al., 2010) to efficiently obtain all three scale factors from a set of computed vibrational harmonic frequencies. In order to obtain the three scale factors, the user only needs to provide zero-point energies of 15 or 6 selected molecules. If the user has access to the Gaussian 09 or Gaussian 03 program, we provide the option for the user to run the program by entering the keywords for a certain method and basis set in the Gaussian 09 or Gaussian 03 program. Four other Python programs, input.py, input6, pbs.py, and pbs6.py, are also provided for generating Gaussian 09 or Gaussian 03 input and PBS files. The program can also be used with data from any other electronic structure package. A manual of how to use this program is included in the code package.
NASA Astrophysics Data System (ADS)
Gupta, Amita; Singh, Ranvir; Ahmad, Amir; Kumar, Mahesh
2003-10-01
Today, vibration sensors with low and medium sensitivities are in great demand. Their applications include robotics, navigation, machine vibration monitoring, isolation of precision equipment & activation of safety systems e.g. airbags in automobiles. Vibration sensors have been developed at SSPL, using silicon micromachining to sense vibrations in a system in the 30 - 200 Hz frequency band. The sensing element in the silicon vibration sensor is a seismic mass suspended by thin silicon hinges mounted on a metallized glass plate forming a parallel plate capacitor. The movement of the seismic mass along the vertical axis is monitored to sense vibrations. This is obtained by measuring the change in capacitance. The movable plate of the parallel plate capacitor is formed by a block connected to a surrounding frame by four cantilever beams located on sides or corners of the seismic mass. This element is fabricated by silicon micromachining. Several sensors in the chip sizes 1.6 cm x 1.6 cm, 1 cm x 1 cm and 0.7 cm x 0.7 cm have been fabricated. Work done on these sensors, techniques used in processing and silicon to glass bonding are presented in the paper. Performance evaluation of these sensors is also discussed.
Strenalyuk, Tatyana; Samdal, Svein; Volden, Hans Vidar
2008-05-29
The molecular structure of the trans isomer of metal-free phthalocyanine (H2Pc) is determined using the gas electron diffraction (GED) method and high-level quantum chemical calculations. B3LYP calculations employing the basis sets 6-31G**, 6-311++G**, and cc-pVTZ give two tautomeric isomers for the inner H atoms, a trans isomer having D2h symmetry and a cis isomer having C2v symmetry. The trans isomer is calculated to be 41.6 (B3LYP/6-311++G**, zero-point corrected) and 37.3 kJ/mol (B3LYP/cc-pVTZ, not zero-point corrected) more stable than the cis isomer. However, Hartree-Fock (HF) calculations using different basis sets predict that cis is preferred and that trans does not exist as a stable form of the molecule. The equilibrium composition in the gas phase at 471 degrees C (the temperature of the GED experiment) calculated at the B3LYP/6-311++G** level is 99.8% trans and 0.2% cis. This is in very good agreement with the GED data, which indicate that the mole fraction of the cis isomer is close to zero. The transition states for two mechanisms of the NH tautomerization have been characterized. A concerted mechanism where the two H atoms move simultaneously yields a transition state of D2h symmetry and an energy barrier of 95.8 kJ/mol. A two-step mechanism where a trans isomer is converted to a cis isomer, which is converted into another trans isomer, proceeds via two transition states of C(s) symmetry and an energy barrier of 64.2 kJ/mol according to the B3LYP/6-311++G** calculation. The molecular geometry determined from GED is in very good agreement with the geometry obtained from the quantum chemical calculations. Vibrational frequencies, IR, and Raman intensities have been calculated using B3LYP/6-311++G**. These calculations indicate that the molecule is rather flexible with six vibrational frequencies in the range of 20-84 cm(-1) for the trans isomer. The cis isomer might be detected by infrared matrix spectroscopy since the N-H stretching frequencies are
NASA Technical Reports Server (NTRS)
Messaro. Semma; Harrison, Phillip
2010-01-01
Ares I Zonal Random vibration environments due to acoustic impingement and combustion processes are develop for liftoff, ascent and reentry. Random Vibration test criteria for Ares I Upper Stage pyrotechnic components are developed by enveloping the applicable zonal environments where each component is located. Random vibration tests will be conducted to assure that these components will survive and function appropriately after exposure to the expected vibration environments. Methodology: Random Vibration test criteria for Ares I Upper Stage pyrotechnic components were desired that would envelope all the applicable environments where each component was located. Applicable Ares I Vehicle drawings and design information needed to be assessed to determine the location(s) for each component on the Ares I Upper Stage. Design and test criteria needed to be developed by plotting and enveloping the applicable environments using Microsoft Excel Spreadsheet Software and documenting them in a report Using Microsoft Word Processing Software. Conclusion: Random vibration liftoff, ascent, and green run design & test criteria for the Upper Stage Pyrotechnic Components were developed by using Microsoft Excel to envelope zonal environments applicable to each component. Results were transferred from Excel into a report using Microsoft Word. After the report is reviewed and edited by my mentor it will be submitted for publication as an attachment to a memorandum. Pyrotechnic component designers will extract criteria from my report for incorporation into the design and test specifications for components. Eventually the hardware will be tested to the environments I developed to assure that the components will survive and function appropriately after exposure to the expected vibration environments.
NASA Astrophysics Data System (ADS)
Gharabaghi, Masumeh; Shahbazian, Shant
2017-04-01
The quantum theory of atoms in molecules (QTAIM) is based on the clamped nucleus paradigm and solely working with the electronic wavefunctions, so does not include nuclear vibrations in the AIM analysis. On the other hand, the recently extended version of the QTAIM, called the multi-component QTAIM (MC-QTAIM), incorporates both electrons and quantum nuclei, i.e., those nuclei treated as quantum waves instead of clamped point charges, into the AIM analysis using non-adiabatic wavefunctions. Thus, the MC-QTAIM is the natural framework to incorporate the role of nuclear vibrations into the AIM analysis. In this study, within the context of the MC-QTAIM, the formalism of including nuclear vibrational energy in the atomic basin energy is developed in detail and its contribution is derived analytically using the recently proposed non-adiabatic Hartree product nuclear wavefunction. It is demonstrated that within the context of this wavefunction, the quantum nuclei may be conceived pseudo-adiabatically as quantum oscillators and both isotropic harmonic and anisotropic anharmonic oscillator models are used to compute the zero-point nuclear vibrational energy contribution to the basin energies explicitly. Inspired by the results gained within the context of the MC-QTAIM analysis, a heuristic approach is proposed within the context of the QTAIM to include nuclear vibrational energy in the basin energy from the vibrational wavefunction derived adiabatically. The explicit calculation of the basin contribution of the zero-point vibrational energy using the uncoupled harmonic oscillator model leads to results consistent with those derived from the MC-QTAIM.
Gharabaghi, Masumeh; Shahbazian, Shant
2017-04-21
The quantum theory of atoms in molecules (QTAIM) is based on the clamped nucleus paradigm and solely working with the electronic wavefunctions, so does not include nuclear vibrations in the AIM analysis. On the other hand, the recently extended version of the QTAIM, called the multi-component QTAIM (MC-QTAIM), incorporates both electrons and quantum nuclei, i.e., those nuclei treated as quantum waves instead of clamped point charges, into the AIM analysis using non-adiabatic wavefunctions. Thus, the MC-QTAIM is the natural framework to incorporate the role of nuclear vibrations into the AIM analysis. In this study, within the context of the MC-QTAIM, the formalism of including nuclear vibrational energy in the atomic basin energy is developed in detail and its contribution is derived analytically using the recently proposed non-adiabatic Hartree product nuclear wavefunction. It is demonstrated that within the context of this wavefunction, the quantum nuclei may be conceived pseudo-adiabatically as quantum oscillators and both isotropic harmonic and anisotropic anharmonic oscillator models are used to compute the zero-point nuclear vibrational energy contribution to the basin energies explicitly. Inspired by the results gained within the context of the MC-QTAIM analysis, a heuristic approach is proposed within the context of the QTAIM to include nuclear vibrational energy in the basin energy from the vibrational wavefunction derived adiabatically. The explicit calculation of the basin contribution of the zero-point vibrational energy using the uncoupled harmonic oscillator model leads to results consistent with those derived from the MC-QTAIM.
Umesh P. Agarwal; Rajai Atalla
2010-01-01
Vibrational spectroscopy is an important tool in modern chemistry. In the past two decades, thanks to significant improvements in instrumentation and the development of new interpretive tools, it has become increasingly important for studies of lignin. This chapter presents the three important instrumental methods-Raman spectroscopy, infrared (IR) spectroscopy, and...
NASA Technical Reports Server (NTRS)
Bozeman, Richard J., Jr. (Inventor)
1990-01-01
The invention relates to monitoring circuitry for the real time detection of vibrations of a predetermined frequency and which are greater than a predetermined magnitude. The circuitry produces an instability signal in response to such detection. The circuitry is particularly adapted for detecting instabilities in rocket thrusters, but may find application with other machines such as expensive rotating machinery, or turbines. The monitoring circuitry identifies when vibration signals are present having a predetermined frequency of a multi-frequency vibration signal which has an RMS energy level greater than a predetermined magnitude. It generates an instability signal only if such a vibration signal is identified. The circuitry includes a delay circuit which responds with an alarm signal only if the instability signal continues for a predetermined time period. When used with a rocket thruster, the alarm signal may be used to cut off the thruster if such thruster is being used in flight. If the circuitry is monitoring tests of the thruster, it generates signals to change the thruster operation, for example, from pulse mode to continuous firing to determine if the instability of the thruster is sustained once it is detected.
NASA Astrophysics Data System (ADS)
Yadav, P. S.; Pandey, D. K.; Agrawal, S.; Agrawal, B. K.
2010-03-01
An ab initio study of the stability, structural, electronic. and optical properties has been performed for 46 zinc sulfide nanoclusters Zn x S y ( x + y = n = 2 to 5). Five out of them are seen to be unstable as their vibrational frequencies are found to be imaginary. A B3LYP-DFT/6-311G(3df) method is employed to optimize the geometries and a TDDFT method is used for the study of the optical properties. The binding energies (BE), HOMO-LUMO gaps and the bond lengths have been obtained for all the clusters. For the ZnS2, ZnS3, and ZnS4 nanoclusters, our stable structures are seen to be different from those obtained earlier by using the effective core potentials. We have also considered the zero point energy (ZPE) corrections ignored by the earlier workers. For a fixed value of n, we designate the most stable structure the one, which has maximum final binding energy per atom. The adiabatic and vertical ionization potentials (IP) and electron affinities (EA), charges on the atoms, dipole moments, optical properties, vibrational frequencies, infrared intensities, relative infrared intensities, and Raman scattering activities have been investigated for the most stable structures. The nanoclusters containing large number of S atoms for each n is found to be most stable. The HOMO-LUMO gap decreases from n = 2-3 and then increases above n = 3. The IP and EA both fluctuate with the cluster size n. The optical absorption is quite weak in visible region but strong in the ultraviolet region in most of the nanoclusters except a few. The optical absorption spectrum or electron energy loss spectrum (EELS) is unique for every nanocluster and may be used to characterize a specific nanocluster. The growth of most stable nanoclusters may be possible in the experiments.
Terrill, Kasia; Nesbitt, David J
2010-08-01
Ab initio anharmonic transition frequencies are calculated for strongly coupled (i) asymmetric and (ii) symmetric proton stretching modes in the X-H(+)-X linear ionic hydrogen bonded complexes for OCHCO(+) and N(2)HN(2)(+). The optimized potential surface is calculated in these two coordinates for each molecular ion at CCSD(T)/aug-cc-pVnZ (n = 2-4) levels and extrapolated to the complete-basis-set limit (CBS). Slices through both 2D surfaces reveal a relatively soft potential in the asymmetric proton stretching coordinate at near equilibrium geometries, which rapidly becomes a double minimum potential with increasing symmetric proton acceptor center of mass separation. Eigenvalues are obtained by solution of the 2D Schrödinger equation with potential/kinetic energy coupling explicity taken into account, converged in a distributed Gaussian basis set as a function of grid density. The asymmetric proton stretch fundamental frequency for N(2)HN(2)(+) is predicted at 848 cm(-1), with strong negative anharmonicity in the progression characteristic of a shallow "particle in a box" potential. The corresponding proton stretch fundamental for OCHCO(+) is anomalously low at 386 cm(-1), but with a strong alternation in the vibrational spacing due to the presence of a shallow D(infinityh) transition state barrier (Delta = 398 cm(-1)) between the two equivalent minimum geometries. Calculation of a 2D dipole moment surface and transition matrix elements reveals surprisingly strong combination and difference bands with appreciable intensity throughout the 300-1500 cm(-1) region. Corrected for zero point (DeltaZPE) and thermal vibrational excitation (DeltaE(vib)) at 300 K, the single and double dissociation energies in these complexes are in excellent agreement with thermochemical gas phase ion data.
NASA Technical Reports Server (NTRS)
2001-01-01
A Small Business Innovation Research (SBIR) sponsorship from NASA's Dryden Flight Research Center, assisted MetroLaser, of Irvine, California, in the development of a self-aligned laser vibrometer system. VibroMet, capable of measuring surface vibrations in a variety of industries, provides information on the structural integrity and acoustical characteristics of manufactured products. This low-cost, easy-to-use sensor performs vibration measurement from distances of up to three meters without the need for adjustment. The laser beam is simply pointed at the target and the system then uses a compact laser diode to illuminate the surface and to subsequently analyze the reflected light. The motion of the surface results in a Doppler shift that is measured with very high precision. VibroMet is considered one of the many behind-the-scenes tools that can be relied on to assure the quality, reliability and safety of everything from airplane panels to disk brakes
NASA Astrophysics Data System (ADS)
Espinosa-Garcia, J.
Ab initio molecular orbital theory was used to study parts of the reaction between the CH2Br radical and the HBr molecule, and two possibilities were analysed: attack on the hydrogen and attack on the bromine of the HBr molecule. Optimized geometries and harmonic vibrational frequencies were calculated at the second-order Moller-Plesset perturbation theory levels, and comparison with available experimental data was favourable. Then single-point calculations were performed at several higher levels of calculation. In the attack on the hydrogen of HBr, two stationary points were located on the direct hydrogen abstraction reaction path: a very weak hydrogen bonded complex of reactants, C···HBr, close to the reactants, followed by the saddle point (SP). The effects of level of calculation (method + basis set), spin projection, zeropoint energy, thermal corrections (298K), spin-orbit coupling and basis set superposition error (BSSE) on the energy changes were analysed. Taking the reaction enthalpy (298K) as reference, agreement with experiment was obtained only when high correlation energy and large basis sets were used. It was concluded that at room temperature (i.e., with zero-point energy and thermal corrections), when the BSSE was included, the complex disappears and the activation enthalpy (298K) ranges from 0.8kcal mol-1 to 1.4kcal mol-1 above the reactants, depending on the level of calculation. It was concluded also that this result is the balance of a complicated interplay of many factors, which are affected by uncertainties in the theoretical calculations. Finally, another possible complex (X complex), which involves the alkyl radical being attracted to the halogen end of HBr (C···BrH), was explored also. It was concluded that this X complex does not exist at room temperature.
Vibrational self-consistent field theory using optimized curvilinear coordinates.
Bulik, Ireneusz W; Frisch, Michael J; Vaccaro, Patrick H
2017-07-28
A vibrational SCF model is presented in which the functions forming the single-mode functions in the product wavefunction are expressed in terms of internal coordinates and the coordinates used for each mode are optimized variationally. This model involves no approximations to the kinetic energy operator and does not require a Taylor-series expansion of the potential. The non-linear optimization of coordinates is found to give much better product wavefunctions than the limited variations considered in most previous applications of SCF methods to vibrational problems. The approach is tested using published potential energy surfaces for water, ammonia, and formaldehyde. Variational flexibility allowed in the current ansätze results in excellent zero-point energies expressed through single-product states and accurate fundamental transition frequencies realized by short configuration-interaction expansions. Fully variational optimization of single-product states for excited vibrational levels also is discussed. The highlighted methodology constitutes an excellent starting point for more sophisticated treatments, as the bulk characteristics of many-mode coupling are accounted for efficiently in terms of compact wavefunctions (as evident from the accurate prediction of transition frequencies).
Wolke, Conrad T.; Fournier, Joseph A.; Miliordos, Evangelos
We report the vibrational signatures of a single H2O water molecule occupying distinct sites of the hydration network in the Cs+(H2O)6 cluster. This is accomplished using isotopomer selective IR-IR hole-burning on the Cs+(D2O)5(H2O) clusters formed by gas-phase exchange of a single, intact H2O molecule for D2O in the Cs+(D2O)6 ion. The OH stretching pattern of the Cs+(H2O)6 isotopologue is accurately recovered by superposition of the isotopomer spectra, thus establishing that the H2O incorporation is random and that the OH stretching manifold is largely due to contributions from decoupled water molecules. This behavior enables a powerful new way to extract structuralmore » information from vibrational spectra of size-selected clusters by explicitly identifying the local environments responsible for specific infrared features. The Cs+(H2O)6 structure was unambiguously assigned to the 4.1.1 isomer (a homodromic water tetramer with two additional flanking water molecules) from the fact that its computed IR spectrum matches the observed overall pattern and recovers the embedded correlations in the two OH stretching bands of the water molecule in the Cs+(D2O)5(H2O) isotopomers. The 4.1.1 isomer is the lowest in energy among other candidate networks at advanced (e.g., CCSD(T)) levels of theoretical treatment after corrections for (anharmonic) zero-point energy (ZPE). With the structure in hand, we then explore the mechanical origin of the various band locations using a local electric field formalism. This approach promises to provide a transferrable scheme for the prediction of the OH stretching fundamentals displayed by water networks in close proximity to solute ions.« less
Noncontact Electromagnetic Vibration Source
NASA Technical Reports Server (NTRS)
Namkung, Min; Fulton, James P.; Wincheski, Buzz A.
1994-01-01
Metal aircraft skins scanned rapidly in vibration tests. Relatively simple combination of permanent magnets and electromagnet serves as noncontact vibration source for nondestructive testing of metal aircraft skins. In test, source excites vibrations, and vibration waveforms measured, then analyzed for changes in resonances signifying cracks and other flaws.
Pajón-Suárez, Pedro; Rojas-Lorenzo, Germán A; Rubayo-Soneira, Jesús; Hernández-Lamoneda, Ramón; Larrégaray, Pascal
2009-12-31
The local relaxation of solid neon subsequent to the impulsive excitation of the NO chromophore to its A(3s sigma) Ryberg state is investigated using molecular dynamics simulations. This study makes use of empirical NO(X,A)-Ne isotropic pair potentials as well as a recently developed ab initio triatomic potential energy surface for the excited state. The role of these interaction potentials is analyzed, including many-body effects. In particular, empirical potentials, designed to reproduce correctly both the NO X-A steady-state absorption and emission bands, are shown to lead to a good description of the subpicosecond relaxation dynamics. The 600 fs expansion of the electronic bubble fairly agrees with experimental data. This relatively long time scale with respect to solid Argon, which was previously attributed to the range of the NO(A)-Ne interaction, is presumably related to the quantum nature of the medium. The time-resolved local relaxation of the Ne solid is understandably intermediate between that of classical solids (e.g., Ar) and that of quantum solids (e.g., H(2)).
Wireless Network for Measurement of Whole-Body Vibration
Koenig, Diogo; Chiaramonte, Marilda S.; Balbinot, Alexandre
2008-01-01
This article presents the development of a system integrated to a ZigBee network to measure whole-body vibration. The developed system allows distinguishing human vibrations of almost 400Hz in three axes with acceleration of almost 50g. The tests conducted in the study ensured the correct functioning of the system for the project's purpose. PMID:27879866
The vibration compensation system for ARGOS
NASA Astrophysics Data System (ADS)
Peter, D.; Gaessler, W.; Borelli, J.; Kulas, M.
2011-09-01
For every adaptive optics system telescope vibrations can strongly reduce the performance. This is true for the receiver part of the system i.e. the telescope and wave front sensor part as well as for the transmitter part in the case of a laser guide star system. Especially observations in deep fields observed with a laser guide star system without any tip-tilt star will be greatly spoiled by telescope vibrations. The ARGOS GLAO system actually being built for the LBT aims to implement this kind of mode where wave front correction will rely purely on signals from the laser beacons. To remove the vibrations from the uplink path a vibration compensation system will be installed. This system uses accelerometers to measure the vibrations and corrects their effect with a small fast tip-tilt mirror. The controller of the system is built based on the assumption that the vibrations take place at a few distinct frequencies. Here I present a lab set-up of this system and show first results of the performance.
Schuder, Michael D.; Wang, Fang; Chang, Chih-Hsuan; Nesbitt, David J.
2017-01-01
The sub-Doppler CH-symmetric stretch (ν3) infrared absorption spectrum of a hydroxymethyl (CH2OH) radical is observed and analyzed with the radical formed in a slit-jet supersonic discharge expansion (Trot = 18 K) via Cl atom mediated H atom abstraction from methanol. The high sensitivity of the spectrometer and reduced spectral congestion associated with the cooled expansion enable first infrared spectroscopic observation of hydroxymethyl transitions from both ± symmetry tunneling states resulting from large amplitude COH torsional motion. Nuclear spin statistics due to exchange of the two methyl H-atoms aid in unambiguous rovibrational assignment of two A-type Ka = 0 ← 0 and Ka = 1 ← 1 bands out of each ± tunneling state, with additional spectral information obtained from spin-rotation splittings in P, Q, and R branch Ka = 1 ← 1 transitions that become resolved at low N. A high level ab initio potential surface (CCSD(T)-f12b/cc-pvnzf12 (n = 2,3)/CBS) is calculated in the large amplitude COH torsional and CH2 wag coordinates, which in the adiabatic approximation and with zero point correction predicts ground state tunneling splittings in good qualitative agreement with experiment. Of particular astrochemical interest, a combined fit of the present infrared ground state combination differences with recently reported millimeter-wave frequencies permits the determination of improved accuracy rotational constants for the ground vibrational state, which will facilitate ongoing millimeter/microwave searches for a hydroxymethyl radical in the interstellar medium. PMID:28527463
Control System Damps Vibrations
NASA Technical Reports Server (NTRS)
Kopf, E. H., Jr.; Brown, T. K.; Marsh, E. L.
1983-01-01
New control system damps vibrations in rotating equipment with help of phase-locked-loop techniques. Vibrational modes are controlled by applying suitable currents to drive motor. Control signals are derived from sensors mounted on equipment.
NASA Technical Reports Server (NTRS)
Beecher, L. C.; Williams, F. T.
1970-01-01
Gas-driven vibration exciter produces a sinusoidal excitation function controllable in frequency and in amplitude. It allows direct vibration testing of components under normal loads, removing the possibility of component damage due to high static pressure.
Tunable Passive Vibration Suppressor
NASA Technical Reports Server (NTRS)
Boechler, Nicholas (Inventor); Dillon, Robert Peter (Inventor); Daraio, Chiara (Inventor); Davis, Gregory L. (Inventor); Shapiro, Andrew A. (Inventor); Borgonia, John Paul C. (Inventor); Kahn, Daniel Louis (Inventor)
2016-01-01
An apparatus and method for vibration suppression using a granular particle chain. The granular particle chain is statically compressed and the end particles of the chain are attached to a payload and vibration source. The properties of the granular particles along with the amount of static compression are chosen to provide desired filtering of vibrations.
Fekete, Attila; Komáromi, István
2016-12-07
A proteolytic reaction of papain with a simple peptide model substrate N-methylacetamide has been studied. Our aim was twofold: (i) we proposed a plausible reaction mechanism with the aid of potential energy surface scans and second geometrical derivatives calculated at the stationary points, and (ii) we investigated the applicability of the dispersion corrected density functional methods in comparison with the popular hybrid generalized gradient approximations (GGA) method (B3LYP) without such a correction in the QM/MM calculations for this particular problem. In the resting state of papain the ion pair and neutral forms of the Cys-His catalytic dyad have approximately the same energy and they are separated by only a small barrier. Zero point vibrational energy correction shifted this equilibrium slightly to the neutral form. On the other hand, the electrostatic solvation free energy corrections, calculated using the Poisson-Boltzmann method for the structures sampled from molecular dynamics simulation trajectories, resulted in a more stable ion-pair form. All methods we applied predicted at least a two elementary step acylation process via a zwitterionic tetrahedral intermediate. Using dispersion corrected DFT methods the thioester S-C bond formation and the proton transfer from histidine occur in the same elementary step, although not synchronously. The proton transfer lags behind (or at least does not precede) the S-C bond formation. The predicted transition state corresponds mainly to the S-C bond formation while the proton is still on the histidine Nδ atom. In contrast, the B3LYP method using larger basis sets predicts a transition state in which the S-C bond is almost fully formed and the transition state can be mainly featured by the Nδ(histidine) to N(amid) proton transfer. Considerably lower activation energy was predicted (especially by the B3LYP method) for the next amide bond breaking elementary step of acyl-enzyme formation. Deacylation appeared to
Diffuse Vibrational Signature of a Single Proton Embedded in the Oxalate Scaffold, HO2CCO2(-).
Wolke, Conrad T; DeBlase, Andrew F; Leavitt, Christopher M; McCoy, Anne B; Johnson, Mark A
2015-12-31
To understand how the D2d oxalate scaffold (C2O4)(2-) distorts upon capture of a proton, we report the vibrational spectra of the cryogenically cooled HO2CCO2(-) anion and its deuterated isotopologue DO2CCO2(-). The transitions associated with the skeletal vibrations and OH bending modes are sharp and are well described by inclusion of cubic terms in the normal mode expansion of the potential surface through an extended Fermi resonance analysis. The ground state structure features a five-membered ring with an asymmetric intramolecular proton bond. The spectral signatures of the hydrogen stretches, on the contrary, are surprisingly diffuse, and this behavior is not anticipated by the extended Fermi scheme. We trace the diffuse bands to very strong couplings between the high-frequency OH-stretch and the low-frequency COH bends as well as heavy particle skeletal deformations. A simple vibrationally adiabatic model recovers this breadth of oscillator strength as a 0 K analogue of the motional broadening commonly used to explain the diffuse spectra of H-bonded systems at elevated temperatures, but where these displacements arise from the configurations present at the vibrational zero-point level.
Zero-point angular momentum of supersymmetric Penning trap
NASA Astrophysics Data System (ADS)
Zhang, Jian-zu; Xu, Qiang
2000-10-01
The quantum behavior of supersymmetric Penning trap, specially the superpartner of its angular momentum, is investigated in the formulation of multi-dimensional semiunitary transformation of supersymmetric quantum mechanics. In the limit case of vanishing kinetic energy it is found that its lowest angular momentum is 3ℏ/2, which provides a possibility of directly checking the idea of supersymmetric quantum mechanics and thus suggests a possible experimental verification about this prediction.
Vibration ride comfort criteria
NASA Technical Reports Server (NTRS)
Dempsey, T. K.; Leatherwood, J. D.
1976-01-01
Results are presented for an experimental study directed to derive equal vibration discomfort curves, to determine the influence of vibration masking in order to account for the total discomfort of any random vibration, and to develop a scale of total vibration discomfort in the case of human response to whole-body vertical vibration. Discomfort is referred to as a subjective discomfort associated with the acceleration level of a particular frequency band. It is shown that passenger discomfort to whole-body vibration increases linearly with acceleration level for each frequency. Empirical data provide a mechanism for determining the degree of masking (or summation) of the discomfort of multiple frequency vibration. A scale for the prediction of passenger discomfort is developed.
Hewitt, Sue; Dong, Ren G; Welcome, Daniel E; McDowell, Thomas W
2015-03-01
For exposure to hand-transmitted vibration (HTV), personal protective equipment is sold in the form of anti-vibration (AV) gloves, but it remains unclear how much these gloves actually reduce vibration exposure or prevent the development of hand-arm vibration syndrome in the workplace. This commentary describes some of the issues that surround the classification of AV gloves, the assessment of their effectiveness and their applicability in the workplace. The available information shows that AV gloves are unreliable as devices for controlling HTV exposures. Other means of vibration control, such as using alternative production techniques, low-vibration machinery, routine preventative maintenance regimes, and controlling exposure durations are far more likely to deliver effective vibration reductions and should be implemented. Furthermore, AV gloves may introduce some adverse effects such as increasing grip force and reducing manual dexterity. Therefore, one should balance the benefits of AV gloves and their potential adverse effects if their use is considered. © Crown copyright 2014.
Airplane wing vibrations due to atmospheric turbulence
NASA Technical Reports Server (NTRS)
Pastel, R. L.; Caruthers, J. E.; Frost, W.
1981-01-01
The magnitude of error introduced due to wing vibration when measuring atmospheric turbulence with a wind probe mounted at the wing tip was studied. It was also determined whether accelerometers mounted on the wing tip are needed to correct this error. A spectrum analysis approach is used to determine the error. Estimates of the B-57 wing characteristics are used to simulate the airplane wing, and von Karman's cross spectrum function is used to simulate atmospheric turbulence. It was found that wing vibration introduces large error in measured spectra of turbulence in the frequency's range close to the natural frequencies of the wing.
Full-dimensional quantum calculations of the vibrational states of H5(+).
Song, Hongwei; Lee, Soo-Ying; Yang, Minghui; Lu, Yunpeng
2013-03-28
Full-dimensional quantum calculations of the vibrational states of H5(+) have been performed on the accurate potential energy surface developed by Xie et al. [J. Chem. Phys. 122, 224307 (2005)]. The zero point energies of H5(+), H4D(+), D4H(+), and D5(+) and their ground-state geometries are presented and compared with earlier theoretical results. The first 10 low-lying excited states of H5(+) are assigned to the fundamental, overtone, and combination of the H2-H3(+) stretch, the shared proton hopping and the out-of-plane torsion. The ground-state torsional tunneling splitting, the fundamental of the photon hopping mode and the first overtone of the torsion mode are 87.3 cm(-1), 354.4 cm(-1), and 444.0 cm(-1), respectively. All of these values agree well with the diffusion Monte Carlo and multi-configuration time-dependent Hartree results where available.
NASA Technical Reports Server (NTRS)
He, X. M.; Craven, B. M.
1993-01-01
For molecular crystals, a procedure is proposed for interpreting experimentally determined atomic mean square anisotropic displacement parameters (ADPs) in terms of the overall molecular vibration together with internal vibrations with the assumption that the molecule consists of a set of linked rigid segments. The internal librations (molecular torsional or bending modes) are described using the variable internal coordinates of the segmented body. With this procedure, the experimental ADPs obtained from crystal structure determinations involving six small molecules (sym-trinitrobenzene, adenosine, tetra-cyanoquinodimethane, benzamide, alpha-cyanoacetic acid hydrazide and N-acetyl-L-tryptophan methylamide) have been analyzed. As a consequence, vibrational corrections to the bond lengths and angles of the molecule are calculated as well as the frequencies and force constants for each internal torsional or bending vibration.
NASA Astrophysics Data System (ADS)
Yadav, P. S.; Yadav, R. K.; Agrawal, B. K.
2007-02-01
An ab initio study of the stability, structural and electronic properties has been made for 49 gallium nitride nanoclusters, GaxNy (x+y = 2-5). Among the various configurations corresponding to a fixed x+y = n value, the configuration possessing the maximum value of binding energy (BE) is named as the most stable structure. The vibrational and optical properties have been investigated only for the most stable structures. A B3LYP-DFT/6-311G(3df) method has been employed to optimize the geometries of the nanoclusters fully. The binding energies (BEs), highest-occupied and lowest-unoccupied molecular orbital (HOMO-LUMO) gaps and the bond lengths have been obtained for all the clusters. We have considered the zero-point energy (ZPE) corrections ignored by the earlier workers. The adiabatic and vertical ionization potentials (IPs) and electron affinities (EAs), charge on atoms, dipole moments, vibrational frequencies, infrared intensities (IR Int.), relative infrared intensities (Rel. IR Int.) and Raman scattering activities have been investigated for the most stable structures. The configurations containing the N atoms in majority are seen to be the most stable structures. The strong N-N bond has an important role in stabilizing the clusters. For clusters containing one Ga atom and all the others as N atoms, the BE increases monotonically with the number of the N atoms. The HOMO-LUMO gap and IP fluctuate with the cluster size n, having larger values for the clusters containing odd number of N atoms. On the other hand, the EA decreases with the cluster size up to n = 3, and shows slow fluctuations thereafter for the larger clusters. In general, the adiabatic IP (EA) is smaller (greater) than the vertical IP (EA) because of the lower energies of the most stable ground state of the cationic (anionic) clusters. The optical absorption spectrum or electron energy loss spectrum (EELS) is unique for every cluster, and may be used to characterize a specific cluster. All the
Structural, electronic and vibrational properties of GexCy (x+y=2-5) nanoclusters: A B3LYP-DFT study
NASA Astrophysics Data System (ADS)
Goswami, Sohini; Saha, Sushmita; Yadav, R. K.
2015-11-01
An ab-initio study of the stability, structural and electronic properties has been made for 84 germanium carbide nanoclusters, GexCy (x+y=2-5). The configuration possessing the maximum value of final binding energy (FBE), among the various configurations corresponding to a fixed x+y=n value, is named as the most stable structure. The vibrational and optical properties have been investigated only for the most stable structures. A B3LYP-DFT/6-311G(3df) method has been employed to optimize fully the geometries of the nanoclusters. The binding energies (BE), highest-occupied and lowest-unoccupied molecular orbital (HOMO-LUMO) gaps have been obtained for all the clusters and the bond lengths have been reported for the most stable clusters. We have considered the zero point energy (ZPE) corrections. The adiabatic and vertical ionization potentials (IPs) and electron affinities (EAs), charge on atoms, dipole moments, vibrational frequencies, infrared intensities (IR Int.), relative infrared intensities (Rel. IR Int.) and Raman scattering activities have also been investigated for the most stable structures. The configurations containing the carbon atoms in majority are seen to be the most stable structures. The strong C-C bond has important role in stabilizing the clusters. For the clusters containing one germanium atom and all the other as carbon atoms, the BE increases monotonically with the number of the carbon atoms. The HOMO-LUMO gap, IPs and EAs fluctuates with increase in the number of atoms. The nanoclusters containing even number of carbon atoms have large HOMO-LUMO gaps and IPs, whereas the nanoclusters containing even number of carbon atoms have small EAs. In general, the adiabatic IP (EA) is smaller (greater) than the vertical IP (EA). The optical absorption spectrum or electron energy loss spectrum (EELS) is unique for every cluster, and may be used to characterize a specific cluster. All the predicted physical quantities are in good agreement with the
Chertock, deceased, Alan J.; Fox, Jack N.; Weissinger, Robert B.
1982-01-01
A reactor refueling method utilizing a vibrating fuel grapple for removing spent fuel assemblies from a reactor core which incorporates a pneumatic vibrator in the grapple head, enabling additional withdrawal capability without exceeding the allowable axial force limit. The only moving part in the vibrator is a steel ball, pneumatically driven by a gas, such as argon, around a track, with centrifugal force created by the ball being transmitted through the grapple to the assembly handling socket.
Vibrating fuel grapple. [LMFBR
Chertock, A.J.; Fox, J.N.; Weissinger, R.B.
A reactor refueling method is described which utilizes a vibrating fuel grapple for removing spent fuel assemblies from a reactor core. It incorporates a pneumatic vibrator in the grapple head which allows additional withdrawal capability without exceeding the allowable axial force limit. The only moving part in the vibrator is a steel ball, pneumatically driven by a gas, such as argon, around a track, with centrifugal force created by the ball being transmitted through the grapple to the assembly handling socket.
Conformational and vibrational reassessment of solid paracetamol
NASA Astrophysics Data System (ADS)
Amado, Ana M.; Azevedo, Celeste; Ribeiro-Claro, Paulo J. A.
2017-08-01
This work provides an answer to the urge for a more detailed and accurate knowledge of the vibrational spectrum of the widely used analgesic/antipyretic drug commonly known as paracetamol. A comprehensive spectroscopic analysis - including infrared, Raman, and inelastic neutron scattering (INS) - is combined with a computational approach which takes account for the effects of intermolecular interactions in the solid state. This allows a full reassessment of the vibrational assignments for Paracetamol, thus preventing the propagation of incorrect data analysis and misassignments already found in the literature. In particular, the vibrational modes involving the hydrogen-bonded Nsbnd H and Osbnd H groups are correctly reallocated to bands shifted by up to 300 cm- 1 relatively to previous assignments.
NASA Technical Reports Server (NTRS)
Waegell, Mordecai J.; Palacios, David M.
2011-01-01
Jitter_Correct.m is a MATLAB function that automatically measures and corrects inter-frame jitter in an image sequence to a user-specified precision. In addition, the algorithm dynamically adjusts the image sample size to increase the accuracy of the measurement. The Jitter_Correct.m function takes an image sequence with unknown frame-to-frame jitter and computes the translations of each frame (column and row, in pixels) relative to a chosen reference frame with sub-pixel accuracy. The translations are measured using a Cross Correlation Fourier transformation method in which the relative phase of the two transformed images is fit to a plane. The measured translations are then used to correct the inter-frame jitter of the image sequence. The function also dynamically expands the image sample size over which the cross-correlation is measured to increase the accuracy of the measurement. This increases the robustness of the measurement to variable magnitudes of inter-frame jitter
Method and apparatus for reconstructing in-cylinder pressure and correcting for signal decay
Huang, Jian
2013-03-12
A method comprises steps for reconstructing in-cylinder pressure data from a vibration signal collected from a vibration sensor mounted on an engine component where it can generate a signal with a high signal-to-noise ratio, and correcting the vibration signal for errors introduced by vibration signal charge decay and sensor sensitivity. The correction factors are determined as a function of estimated motoring pressure and the measured vibration signal itself with each of these being associated with the same engine cycle. Accordingly, the method corrects for charge decay and changes in sensor sensitivity responsive to different engine conditions to allow greater accuracy in the reconstructed in-cylinder pressure data. An apparatus is also disclosed for practicing the disclosed method, comprising a vibration sensor, a data acquisition unit for receiving the vibration signal, a computer processing unit for processing the acquired signal and a controller for controlling the engine operation based on the reconstructed in-cylinder pressure.
NASA Technical Reports Server (NTRS)
Kis, Z.; Janszky, J.; Vinogradov, An. V.; Kobayashi, T.
1996-01-01
The optical Schroedinger cat states are simple realizations of quantum states having nonclassical features. It is shown that vibrational analogues of such states can be realized in an experiment of double pulse excitation of vibrionic transitions. To track the evolution of the vibrational wave packet we derive a non-unitary time evolution operator so that calculations are made in a quasi Heisenberg picture.
Gearbox vibration diagnostic analyzer
NASA Technical Reports Server (NTRS)
1992-01-01
This report describes the Gearbox Vibration Diagnostic Analyzer installed in the NASA Lewis Research Center's 500 HP Helicopter Transmission Test Stand to monitor gearbox testing. The vibration of the gearbox is analyzed using diagnostic algorithms to calculate a parameter indicating damaged components.
Multiple direction vibration fixture
Cericola, Fred; Doggett, James W.; Ernest, Terry L.; Priddy, Tommy G.
1991-01-01
An apparatus for simulating a rocket launch environment on a test item undergoing centrifuge testing by subjecting the item simultaneously or separately to vibration along an axis of centripetal force and along an axis perpendicular to the centripetal force axis. The apparatus includes a shaker motor supported by centrifuge arms and a right angle fixture pivotally connected to one of the shaker motor mounts. When the shaker motor vibrates along the centripetal force axis, the vibrations are imparted to a first side of the right angle fixture. The vibrations are transmitted 90 degrees around the pivot and are directed to a second side of the right angle fixture which imparts vibrations perpendicular to the centripetal force axis. The test item is in contact with a third side of the right angle fixture and receives both centripetal-force-axis vibrations and perpendicular axis vibrations simultaneously. A test item can be attached to the third side near the flexible coupling or near the air bag to obtain vibrations along the centripetal force axis or transverse to the centripetal force axis.
Towards a comprehensive model for the electronic and vibrational structure of the Creutz-Taube ion.
Reimers, Jeffrey R; Wallace, Brett B; Hush, Noel S
2008-01-13
Since the synthesis of the Creutz-Taube ion, the nature of its charge localization has been of immense scientific interest, this molecule providing a model system for the understanding of the operation of biological photosynthetic and electron-transfer processes. However, recent work has shown that its nature remains an open question. Many systems of this type, including photosynthetic reaction centres, are of current research interest, and thereby the Creutz-Taube ion provides an important chemical paradigm: the key point of interest is the details of how such molecules behave. We lay the groundwork for the construction of a comprehensive model for its chemical and spectroscopic properties. Advances are described in some of the required areas including: simulation of electronic absorption spectra; quantitative depiction of the large interaction of the ion's electronic description with solvent motions; and the physics of Ru-NH3 spectator-mode vibrations. We show that details of the solvent electron-phonon coupling are critical in the interpretation of the spectator-mode vibrations, as these strongly mix with solvent motions when 0.75<2J/lambda<1. In this regime, a double-well potential exists which does not support localized zero-point vibration, and many observed properties of the Creutz-Taube ion are shown to be consistent with the hypothesis that the ion has this character.
Anharmonic quantum contribution to vibrational dephasing.
Barik, Debashis; Ray, Deb Shankar
2004-07-22
Based on a quantum Langevin equation and its corresponding Hamiltonian within a c-number formalism we calculate the vibrational dephasing rate of a cubic oscillator. It is shown that leading order quantum correction due to anharmonicity of the potential makes a significant contribution to the rate and the frequency shift. We compare our theoretical estimates with those obtained from experiments for small diatomics N(2), O(2), and CO.
Andersen, J; Heimdal, J; Mahler, D W; Nelander, B; Larsen, R Wugt
2014-03-07
Terahertz absorption spectra have been recorded for the weakly bound CO2-H2O complex embedded in cryogenic neon matrices at 2.8 K. The three high-frequency van der Waals vibrational transitions associated with out-of-plane wagging, in-plane rocking, and torsional motion of the isotopic H2O subunit have been assigned and provide crucial observables for benchmark theoretical descriptions of this systems' flat intermolecular potential energy surface. A (semi)-empirical value for the zero-point energy of 273 ± 15 cm(-1) from the class of intermolecular van der Waals vibrations is proposed and the combination with high-level quantum chemical calculations provides a value of 726 ± 15 cm(-1) for the dissociation energy D0.
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.
High fidelity quantum gates with vibrational qubits.
Berrios, Eduardo; Gruebele, Martin; Shyshlov, Dmytro; Wang, Lei; Babikov, Dmitri
2012-11-26
Physical implementation of quantum gates acting on qubits does not achieve a perfect fidelity of 1. The actual output qubit may not match the targeted output of the desired gate. According to theoretical estimates, intrinsic gate fidelities >99.99% are necessary so that error correction codes can be used to achieve perfect fidelity. Here we test what fidelity can be accomplished for a CNOT gate executed by a shaped ultrafast laser pulse interacting with vibrational states of the molecule SCCl(2). This molecule has been used as a test system for low-fidelity calculations before. To make our test more stringent, we include vibrational levels that do not encode the desired qubits but are close enough in energy to interfere with population transfer by the laser pulse. We use two complementary approaches: optimal control theory determines what the best possible pulse can do; a more constrained physical model calculates what an experiment likely can do. Optimal control theory finds pulses with fidelity >0.9999, in excess of the quantum error correction threshold with 8 × 10(4) iterations. On the other hand, the physical model achieves only 0.9992 after 8 × 10(4) iterations. Both calculations converge as an inverse power law toward unit fidelity after >10(2) iterations/generations. In principle, the fidelities necessary for quantum error correction are reachable with qubits encoded by molecular vibrations. In practice, it will be challenging with current laboratory instrumentation because of slow convergence past fidelities of 0.99.
Silicon micromachined vibrating gyroscopes
NASA Astrophysics Data System (ADS)
Voss, Ralf
1997-09-01
This work gives an overview of silicon micromachined vibrating gyroscopes. Market perspectives and fields of application are pointed out. The advantage of using silicon micromachining is discussed and estimations of the desired performance, especially for automobiles are given. The general principle of vibrating gyroscopes is explained. Vibrating silicon gyroscopes can be divided into seven classes. for each class the characteristic principle is presented and examples are given. Finally a specific sensor, based on a tuning fork for automotive applications with a sensitivity of 250(mu) V/degrees is described in detail.
System Detects Vibrational Instabilities
NASA Technical Reports Server (NTRS)
Bozeman, Richard J., Jr.
1990-01-01
Sustained vibrations at two critical frequencies trigger diagnostic response or shutdown. Vibration-analyzing electronic system detects instabilities of combustion in rocket engine. Controls pulse-mode firing of engine and identifies vibrations above threshold amplitude at 5.9 and/or 12kHz. Adapted to other detection and/or control schemes involving simultaneous real-time detection of signals above or below preset amplitudes at two or more specified frequencies. Potential applications include rotating machinery and encoders and decoders in security systems.
On the Lowest Ro-Vibrational States of Protonated Methane: Experiment and Analytical Model
NASA Astrophysics Data System (ADS)
Schmiedt, Hanno; Jensen, Per; Asvany, Oskar; Schlemmer, Stephan
2016-06-01
Protonated methane, CH_5^+, is the prototype of an extremely floppy molecule. To the best of our knowledge all barriers are surmountable in the rovibrational ground state; the large amount of zero-point vibrational energy leads to large amplitude motions for many degrees of freedom. Low resolution but broad band vibrational spectroscopy [1] revealed an extremely wide range of C-H stretching vibrations. Comparison with theoretical IR spectra supported the structural motif of a CH_3 tripod and an H_2 moiety, bound to the central carbon atom by a 3c2e bond. In a more dynamic picture the five protons surround the central carbon atom without significant restrictions on the H-C-H bending or H_n-C torsional motions. The large-amplitude internal motions preclude a simple theoretical description of the type possible for more conventional molecules, such as the related spherical-top methane molecule. Recent high-resolution ro-vibrational spectra obtained in cold ion trap experiments [2] show that the observed CH_5^+ transitions belong to a very well-defined energy level scheme describing the lowest rotational and vibrational states of this enigmatic molecule. Here we analyse the experimental ground state combination differences and associate them with the motional states of CH_5^+ allowed by Fermi-Dirac statistics. A model Hamiltonian for unrestricted internal rotations in CH_5^+ yields a simple analytical expression for the energy eigenvalues, expressed in terms of new quantum numbers describing the free internal rotation. These results are compared to the experimental combination differences and the validity of the model will be discussed together with the underlying assumptions. [1] O. Asvany, P. Kumar, I. Hegemann, B. Redlich, S. Schlemmer and D. Marx, Science 309, (2005) 1219-1222 [2] O. Asvany, K.M.T. Yamada, S. Brünken, A. Potapov, S. Schlemmer, Science 347 (2015) 1346-1349
Vibration Analysis and the Accelerometer
ERIC Educational Resources Information Center
Hammer, Paul
2011-01-01
Have you ever put your hand on an electric motor or motor-driven electric appliance and felt it vibrate? Ever wonder why it vibrates? What is there about the operation of the motor, or the object to which it is attached, that causes the vibrations? Is there anything "regular" about the vibrations, or are they the result of random causes? In this…
PREFACE: Vibrations at surfaces Vibrations at surfaces
NASA Astrophysics Data System (ADS)
Rahman, Talat S.
2011-12-01
This special issue is dedicated to the phenomenon of vibrations at surfaces—a topic that was indispensible a couple of decades ago, since it was one of the few phenomena capable of revealing the nature of binding at solid surfaces. For clean surfaces, the frequencies of modes with characteristic displacement patterns revealed how surface geometry, as well as the nature of binding between atoms in the surface layers, could be different from that in the bulk solid. Dispersion of the surface phonons provided further measures of interatomic interactions. For chemisorbed molecules on surfaces, frequencies and dispersion of the vibrational modes were also critical for determining adsorption sites. In other words, vibrations at surfaces served as a reliable means of extracting information about surface structure, chemisorption and overlayer formation. Experimental techniques, such as electron energy loss spectroscopy and helium-atom-surface scattering, coupled with infra-red spectroscopy, were continually refined and their resolutions enhanced to capture subtleties in the dynamics of atoms and molecules at surfaces. Theoretical methods, whether based on empirical and semi-empirical interatomic potential or on ab initio electronic structure calculations, helped decipher experimental observations and provide deeper insights into the nature of the bond between atoms and molecules in regions of reduced symmetry, as encountered on solid surfaces. Vibrations at surfaces were thus an integral part of the set of phenomena that characterized surface science. Dedicated workshops and conferences were held to explore the variety of interesting and puzzling features revealed in experimental and theoretical investigations of surface vibrational modes and their dispersion. One such conference, Vibrations at Surfaces, first organized by Harald Ibach in Juelich in 1980, continues to this day. The 13th International Conference on Vibrations at Surfaces was held at the University of
Multivariate Analysis of Ladle Vibration
NASA Astrophysics Data System (ADS)
Yenus, Jaefer; Brooks, Geoffrey; Dunn, Michelle
2016-08-01
The homogeneity of composition and uniformity of temperature of the steel melt before it is transferred to the tundish are crucial in making high-quality steel product. The homogenization process is performed by stirring the melt using inert gas in ladles. Continuous monitoring of this process is important to make sure the action of stirring is constant throughout the ladle. Currently, the stirring process is monitored by process operators who largely rely on visual and acoustic phenomena from the ladle. However, due to lack of measurable signals, the accuracy and suitability of this manual monitoring are problematic. The actual flow of argon gas to the ladle may not be same as the flow gage reading due to leakage along the gas line components. As a result, the actual degree of stirring may not be correctly known. Various researchers have used one-dimensional vibration, and sound and image signals measured from the ladle to predict the degree of stirring inside. They developed online sensors which are indeed to monitor the online stirring phenomena. In this investigation, triaxial vibration signals have been measured from a cold water model which is a model of an industrial ladle. Three flow rate ranges and varying bath heights were used to collect vibration signals. The Fast Fourier Transform was applied to the dataset before it has been analyzed using principal component analysis (PCA) and partial least squares (PLS). PCA was used to unveil the structure in the experimental data. PLS was mainly applied to predict the stirring from the vibration response. It was found that for each flow rate range considered in this study, the informative signals reside in different frequency ranges. The first latent variables in these frequency ranges explain more than 95 pct of the variation in the stirring process for the entire single layer and the double layer data collected from the cold model. PLS analysis in these identified frequency ranges demonstrated that the latent
Force Limited Vibration Testing
NASA Technical Reports Server (NTRS)
Scharton, Terry; Chang, Kurng Y.
2005-01-01
This slide presentation reviews the concept and applications of Force Limited Vibration Testing. The goal of vibration testing of aerospace hardware is to identify problems that would result in flight failures. The commonly used aerospace vibration tests uses artificially high shaker forces and responses at the resonance frequencies of the test item. It has become common to limit the acceleration responses in the test to those predicted for the flight. This requires an analysis of the acceleration response, and requires placing accelerometers on the test item. With the advent of piezoelectric gages it has become possible to improve vibration testing. The basic equations have are reviewed. Force limits are analogous and complementary to the acceleration specifications used in conventional vibration testing. Just as the acceleration specification is the frequency spectrum envelope of the in-flight acceleration at the interface between the test item and flight mounting structure, the force limit is the envelope of the in-flight force at the interface . In force limited vibration tests, both the acceleration and force specifications are needed, and the force specification is generally based on and proportional to the acceleration specification. Therefore, force limiting does not compensate for errors in the development of the acceleration specification, e.g., too much conservatism or the lack thereof. These errors will carry over into the force specification. Since in-flight vibratory force data are scarce, force limits are often derived from coupled system analyses and impedance information obtained from measurements or finite element models (FEM). Fortunately, data on the interface forces between systems and components are now available from system acoustic and vibration tests of development test models and from a few flight experiments. Semi-empirical methods of predicting force limits are currently being developed on the basis of the limited flight and system test
Vibration parameters affecting vibration-induced reflex muscle activity.
Cidem, Muharrem; Karacan, Ilhan; Cakar, Halil Ibrahim; Cidem, Mehmet; Sebik, Oguz; Yilmaz, Gizem; Turker, Kemal Sitki; Karamehmetoglu, Safak Sahir
2017-03-01
To determine vibration parameters affecting the amplitude of the reflex activity of soleus muscle during low-amplitude whole-body vibration (WBV). This study was conducted on 19 participants. Vibration frequencies of 25, 30, 35, 40, 45, and 50 Hz were used. Surface electromyography, collision force between vibration platform and participant's heel measured using a force sensor, and acceleration measured using an accelerometer fixed to the vibration platform were simultaneously recorded. The collision force was the main independent predictor of electromyographic amplitude. The essential parameter of vibration affecting the amplitude of the reflex muscle activity is the collision force.
77 FR 72199 - Technical Corrections; Correction
Federal Register 2010, 2011, 2012, 2013, 2014
2012-12-05
... changes. This correcting amendment is necessary to correct the statutory authority that is cited in one of... is necessary to correct the statutory authority that is cited in the authority citation for part 171...
Zhang, Xiaoming; Zeraati, Mohammad; Kinnick, Randall R; Greenleaf, James F; Fatemi, Mostafa
2007-06-01
A new method for imaging the vibration mode of an object is investigated. The radiation force of ultrasound is used to scan the object at a resonant frequency of the object. The vibration of the object is measured by laser and the resulting acoustic emission from the object is measured by a hydrophone. It is shown that the measured signal is proportional to the value of the mode shape at the focal point of the ultrasound beam. Experimental studies are carried out on a mechanical heart valve and arterial phantoms. The mode images on the valve are made by the hydrophone measurement and confirmed by finite-element method simulations. Compared with conventional B-scan imaging on arterial phantoms, the mode imaging can show not only the interface of the artery and the gelatin, but also the vibration modes of the artery. The images taken on the phantom surface suggest that an image of an interior artery can be made by vibration measurements on the surface of the body. However, the image of the artery can be improved if the vibration of the artery is measured directly. Imaging of the structure in the gelatin or tissue can be enhanced by small bubbles and contrast agents.
NASA Astrophysics Data System (ADS)
Pippard, A. B.
1989-11-01
The study of vibration in physical systems is an important part of almost all fields in physics and engineering. This work, originally published in two volumes, examines the classical aspects in Part I and the quantum oscillator in Part II. The classical linear vibrator is treated first and the underlying unity of all linear oscillations in electrical, mechanical and acoustic systems is emphasized. Following this the book turns to the treatment of nonlinear vibrations, a field with which engineers and physicists are generally less familiar. In Part II the emphasis turns to quantum systems, that is those systems which can only be adequately described by quantum mechanics. The treatment concentrates on vibrations in atoms and molecules and their interaction with electromagnetic radiation. The similarities of classical and quantum methods are stressed and the limits of the classical treatment are examined. Throughout the book, each phenomenon discussed is illustrated with many examples and theory and experiment are compared. Although the reader may find that the physics discussed is demanding and the concepts are subtle in places, all mathematics used is familiar to both engineers and experimental scientists. Although not a textbook this is a useful introduction to the more advanced mathematical treatment of vibrations as it bridges the gap between the basic principles and more specialized concepts. It will be of great interest to advanced undergraduates and postgraduates as well as applied mathematicians, physicists and engineers in university and industry.
Recovering Intrinsic Fragmental Vibrations Using the Generalized Subsystem Vibrational Analysis.
Tao, Yunwen; Tian, Chuan; Verma, Niraj; Zou, Wenli; Wang, Chao; Cremer, Dieter; Kraka, Elfi
2018-05-08
Normal vibrational modes are generally delocalized over the molecular system, which makes it difficult to assign certain vibrations to specific fragments or functional groups. We introduce a new approach, the Generalized Subsystem Vibrational Analysis (GSVA), to extract the intrinsic fragmental vibrations of any fragment/subsystem from the whole system via the evaluation of the corresponding effective Hessian matrix. The retention of the curvature information with regard to the potential energy surface for the effective Hessian matrix endows our approach with a concrete physical basis and enables the normal vibrational modes of different molecular systems to be legitimately comparable. Furthermore, the intrinsic fragmental vibrations act as a new link between the Konkoli-Cremer local vibrational modes and the normal vibrational modes.
Lourderaj, Upakarasamy; Martínez-Núñez, Emilio; Hase, William L
2007-10-18
Linear molecules with degenerate bending modes have states, which may be represented by the quantum numbers N and L. The former gives the total energy for these modes and the latter identifies their vibrational angular momentum jz. In this work, the classical mechanical analog of the N,L-quantum states is reviewed, and an algorithm is presented for selecting initial conditions for these states in quasiclassical trajectory chemical dynamics simulations. The algorithm is illustrated by choosing initial conditions for the N = 3 and L = 3 and 1 states of CO2. Applications of this algorithm are considered for initial conditions without and with zero-point energy (zpe) included in the vibrational angular momentum states and the C-O stretching modes. The O-atom motions in the x,y-plane are determined for these states from classical trajectories in Cartesian coordinates and are compared with the motion predicted by the normal-mode model. They are only in agreement for the N = L = 3 state without vibrational angular momentum zpe. For the remaining states, the Cartesian O-atom motions are considerably different from the elliptical motion predicted by the normal-mode model. This arises from bend-stretch coupling, including centrifugal distortion, in the Cartesian trajectories, which results in tubular instead of elliptical motion. Including zpe in the C-O stretch modes introduces considerable complexity into the O-atom motions for the vibrational angular momentum states. The short-time O-atom motions for these trajectories are highly irregular and do not appear to have any identifiable characteristics. However, the O-atom motions for trajectories integrated for substantially longer period of times acquire unique properties. With C-O stretch zpe included, the long-time O-atom motion becomes tubular for trajectories integrated to approximately 14 ps for the L = 3 states and to approximately 44 ps for the L = 1 states.
Externally tuned vibration absorber
Vincent, Ronald J.
1987-09-22
A vibration absorber unit or units are mounted on the exterior housing of a hydraulic drive system of the type that is powered from a pressure wave generated, e.g., by a Stirling engine. The hydraulic drive system employs a piston which is hydraulically driven to oscillate in a direction perpendicular to the axis of the hydraulic drive system. The vibration absorbers each include a spring or other resilient member having one side affixed to the housing and another side to which an absorber mass is affixed. In a preferred embodiment, a pair of vibration absorbers is employed, each absorber being formed of a pair of leaf spring assemblies, between which the absorber mass is suspended.
Dooley, Joseph B.; Muhs, Jeffrey D.; Tobin, Kenneth W.
1995-01-01
A fiber optic vibration sensor utilizes two single mode optical fibers supported by a housing with one optical fiber fixedly secured to the housing and providing a reference signal and the other optical fiber having a free span length subject to vibrational displacement thereof with respect to the housing and the first optical fiber for providing a signal indicative of a measurement of any perturbation of the sensor. Damping or tailoring of the sensor to be responsive to selected levels of perturbation is provided by altering the diameter of optical fibers or by immersing at least a portion of the free span length of the vibration sensing optical fiber into a liquid of a selected viscosity.
Dooley, J.B.; Muhs, J.D.; Tobin, K.W.
1995-01-10
A fiber optic vibration sensor utilizes two single mode optical fibers supported by a housing with one optical fiber fixedly secured to the housing and providing a reference signal and the other optical fiber having a free span length subject to vibrational displacement thereof with respect to the housing and the first optical fiber for providing a signal indicative of a measurement of any perturbation of the sensor. Damping or tailoring of the sensor to be responsive to selected levels of perturbation is provided by altering the diameter of optical fibers or by immersing at least a portion of the free span length of the vibration sensing optical fiber into a liquid of a selected viscosity. 2 figures.
On-the-Fly ab Initio Semiclassical Calculation of Glycine Vibrational Spectrum
2017-01-01
We present an on-the-fly ab initio semiclassical study of vibrational energy levels of glycine, calculated by Fourier transform of the wavepacket correlation function. It is based on a multiple coherent states approach integrated with monodromy matrix regularization for chaotic dynamics. All four lowest-energy glycine conformers are investigated by means of single-trajectory semiclassical spectra obtained upon classical evolution of on-the-fly trajectories with harmonic zero-point energy. For the most stable conformer I, direct dynamics trajectories are also run for each vibrational mode with energy equal to the first harmonic excitation. An analysis of trajectories evolved up to 50 000 atomic time units demonstrates that, in this time span, conformers II and III can be considered as isolated species, while conformers I and IV show a pretty facile interconversion. Therefore, previous perturbative studies based on the assumption of isolated conformers are often reliable but might be not completely appropriate in the case of conformer IV and conformer I for which interconversion occurs promptly. PMID:28489368
NASA Astrophysics Data System (ADS)
Liu, K.; Brown, M. G.; Viant, M. R.; Cruzan, J. D.; Saykally, R. J.
We report the measurement of far infrared vibration rotation tunnelling parallel bands of two partially deuterated water trimer isotopomers D O DOH and H O DOH at 97 2607 cm and 86 cm respectively The hydrogen bond rearrangement dynamics of the two mixed trimers can be described by the simplified molecular symmetry G which accounts for both the flipping and bifurcation tunnelling motions previously established for H O and D O The observed donor tunnelling quartet rather than triplet splitting indicates that the two homogeneous monomers D O or H O in each mixed trimer experience slightly different environments Vibrationally averaged structures of H O D O and D O DOH were examined in a Monte Carlo simulation of the out of plane flipping motions of the free atoms The simulation addresses both the symmetric top behaviour and the negative zero point inertial defect for H O and D O which were insufficiently counted in all previous structure models The average ground state O O separations which are correlated to other angular coordinates were determined to be 2 84 0 01 A for all three species The simulated difference in hydrogen bond nonlinearity also supports the inequivalency of the two homogeneous mono mers The structural simulation shows that the unique H in D O DOH is free while a torsional analysis suggests the unique D in H O DOH is bound within the cyclic ring Both bands can be assigned to the pseudorotational transitions which correlate to those found in the pure trimers
System for Suppressing Vibration in Turbomachine Components
NASA Technical Reports Server (NTRS)
Morrison, Carlos R. (Inventor); Provenza, Andrew J. (Inventor); Choi, Benjamin B. (Inventor); Bakhle, Milind A. (Inventor); Min, James B (Inventor); Stefko, George L. (Inventor); Kussmann, John A (Inventor); Fougere, Alan J (Inventor)
2013-01-01
Disclosed is a system for suppressing vibration and noise mitigation in structures such as blades in turbomachinery. The system includes flexible piezoelectric patches which are secured on or imbedded in turbomachinery blades which, in one embodiment, comprises eight (8) fan blades. The system further includes a capacitor plate coupler and a power transfer apparatus, which may both be arranged into one assembly, that respectively transfer data and power. Each of the capacitive plate coupler and power transfer apparatus is configured so that one part is attached to a fixed member while another part is attached to a rotatable member with an air gap there between. The system still further includes a processor that has 16 channels, eight of which serve as sensor channels, and the remaining eight, serving as actuation channels. The processor collects and analyzes the sensor signals and, in turn, outputs corrective signals for vibration/noise suppression of the turbine blades.
NASA Technical Reports Server (NTRS)
Dowler, W. L.; Varsi, G.; Yang, L. C. (Inventor)
1979-01-01
A system for vibrating the earth in a location where seismic mapping is to take place is described. A relatively shallow hole formed in the earth, such as a hole 10 feet deep, placing a solid propellant in the hole, sealing a portion of the hole above the solid propellant with a device that can rapidly open and close to allow a repeatedly interrupted escape of gas. The propellant is ignited so that high pressure gas is created which escapes in pulses to vibrate the earth.
Vibrational spectroscopy of resveratrol
NASA Astrophysics Data System (ADS)
Billes, Ferenc; Mohammed-Ziegler, Ildikó; Mikosch, Hans; Tyihák, Ernő
2007-11-01
In this article the authors deal with the experimental and theoretical interpretation of the vibrational spectra of trans-resveratrol (3,5,4'-trihydroxy- trans-stilbene) of diverse beneficial biological activity. Infrared and Raman spectra of the compound were recorded; density functional calculations were carried out resulting in the optimized geometry and several properties of the molecule. Based on the calculated force constants, a normal coordinate analysis yielded the character of the vibrational modes and the assignment of the measured spectral bands.
A novel vibration structure for dynamic balancing measurement
NASA Astrophysics Data System (ADS)
Qin, Peng; Cai, Ping; Hu, Qinghan; Li, Yingxia
2006-11-01
Based on the conception of instantaneous motion center in theoretical mechanics, the paper presents a novel virtual vibration structure for dynamic balancing measurement with high precision. The structural features and the unbalancing response characteristics of this vibration structure are analyzed in depth. The relation between the real measuring system and the virtual one is emphatically expounded. Theoretical analysis indicates that the flexibly hinged integrative plate spring sets holds fixed vibration center, with the result that this vibration system has the most excellent effect of plane separation. In addition, the sensors are mounted on the same longitudinal section. Thus the influence of phase error on the primary unbalance reduction ratio is eliminated. Furthermore, the performance changes in sensors caused by environmental factor have less influence on the accuracy of the measurement. The result for this system is more accurate measurement with lower requirement for a second correction run.
Rotor-to-stator rub vibration in centrifugal compressor
NASA Technical Reports Server (NTRS)
Gao, J. J.; Qi, Q. M.
1985-01-01
One example of excessive vibration encountered during loading of a centrifugal compressor train (H type compressor with HP casing) is discussed. An investigation was made of the effects of the dynamic load on the bearing stiffness and the rotor-bearing system critical speed. The high vibration occurred at a "threshold load," but the machine didn't run smoothly due to rubs even when it had passed through the threshold load. The acquisition and discussion of the data taken in the field as well as a description of the case history which utilizes background information to identify the malfunction conditions is presented. The analysis shows that the failures, including full reverse precession rub and exact one half subharmonic vibration, were caused by the oversize bearings and displacement of the rotor center due to foundation deformation and misalignment between gear shafts, etc. The corrective actions taken to alleviate excessive vibration and the problems which remain to be solved are also presented.
Development of vibration isolation platform for low amplitude vibration
NASA Astrophysics Data System (ADS)
Lee, Dae-Oen; Park, Geeyong; Han, Jae-Hung
2014-03-01
The performance of high precision payloads on board a satellite is extremely sensitive to vibration. Although vibration environment of a satellite on orbit is very gentle compared to the launch environment, even a low amplitude vibration disturbances generated by reaction wheel assembly, cryocoolers, etc may cause serious problems in performing tasks such as capturing high resolution images. The most commonly taken approach to protect sensitive payloads from performance degrading vibration is application of vibration isolator. In this paper, development of vibration isolation platform for low amplitude vibration is discussed. Firstly, single axis vibration isolator is developed by adapting three parameter model using bellows and viscous fluid. The isolation performance of the developed single axis isolator is evaluated by measuring force transmissibility. The measured transmissibility shows that both the low Q-factor (about 2) and the high roll-off rate (about -40 dB/dec) are achieved with the developed isolator. Then, six single axis isolators are combined to form Stewart platform in cubic configuration to provide multi-axis vibration isolation. The isolation performance of the developed multi-axis isolator is evaluated using a simple prototype reaction wheel model in which wheel imbalance is the major source of vibration. The transmitted force without vibration isolator is measured and compared with the transmitted force with vibration isolator. More than 20 dB reduction of the X and Y direction (radial direction of flywheel) disturbance is observed for rotating wheel speed of 100 Hz and higher.
Hansson, J E; Eklund, L; Kihlberg, S; Ostergren, C E
1987-03-01
The main objective of the study was to find efficient hand tools which caused only minor vibration loading. Vibration measurements were carried out under standardised working conditions. The time during which car body repairers in seven companies were exposed to vibration was determined. Chisel hammers, impact wrenches, sanders and saws were the types of tools which generated the highest vibration accelerations. The average daily exposure at the different garages ranged from 22 to 70 min. The risk of vibration injury is currently rated as high. The difference between the highest and lowest levels of vibration was considerable in most tool categories. Therefore the choice of tool has a major impact on the magnitude of vibration exposure. The importance of choosing the right tools and working methods is discussed and a counselling service on vibration is proposed.
Vibration Propagation in Spider Webs
NASA Astrophysics Data System (ADS)
Hatton, Ross; Otto, Andrew; Elias, Damian
Due to their poor eyesight, spiders rely on web vibrations for situational awareness. Web-borne vibrations are used to determine the location of prey, predators, and potential mates. The influence of web geometry and composition on web vibrations is important for understanding spider's behavior and ecology. Past studies on web vibrations have experimentally measured the frequency response of web geometries by removing threads from existing webs. The full influence of web structure and tension distribution on vibration transmission; however, has not been addressed in prior work. We have constructed physical artificial webs and computer models to better understand the effect of web structure on vibration transmission. These models provide insight into the propagation of vibrations through the webs, the frequency response of the bare web, and the influence of the spider's mass and stiffness on the vibration transmission patterns. Funded by NSF-1504428.
Vibration Tests on Transit Buses
DOT National Transportation Integrated Search
1979-03-01
The objective of this vibration measurement program was to quantify the vibration environment which would be experienced by Automatic Vehicle Monitoring (AVM) equipment when installed on buses during typical city route service operations. Two buses w...
NASA Technical Reports Server (NTRS)
Tolmei, V. R.
1982-01-01
Proposed circuit would monitor vibration spectrum of engines under test or in service. It could detect subtle out-of-specification conditions and could be programed to shut down engine if an out-of-limits condition develops. Possible uses of monitor are in bench testing automobiles and outboard motors and as a safety device in very critical engine applications.
Nonlinear vibrational microscopy
Holtom, Gary R.; Xie, Xiaoliang Sunney; Zumbusch, Andreas
2000-01-01
The present invention is a method and apparatus for microscopic vibrational imaging using coherent Anti-Stokes Raman Scattering or Sum Frequency Generation. Microscopic imaging with a vibrational spectroscopic contrast is achieved by generating signals in a nonlinear optical process and spatially resolved detection of the signals. The spatial resolution is attained by minimizing the spot size of the optical interrogation beams on the sample. Minimizing the spot size relies upon a. directing at least two substantially co-axial laser beams (interrogation beams) through a microscope objective providing a focal spot on the sample; b. collecting a signal beam together with a residual beam from the at least two co-axial laser beams after passing through the sample; c. removing the residual beam; and d. detecting the signal beam thereby creating said pixel. The method has significantly higher spatial resolution then IR microscopy and higher sensitivity than spontaneous Raman microscopy with much lower average excitation powers. CARS and SFG microscopy does not rely on the presence of fluorophores, but retains the resolution and three-dimensional sectioning capability of confocal and two-photon fluorescence microscopy. Complementary to these techniques, CARS and SFG microscopy provides a contrast mechanism based on vibrational spectroscopy. This vibrational contrast mechanism, combined with an unprecedented high sensitivity at a tolerable laser power level, provides a new approach for microscopic investigations of chemical and biological samples.
Vibrational Spectroscopy and Astrobiology
NASA Technical Reports Server (NTRS)
Chaban, Galina M.; Kwak, D. (Technical Monitor)
2001-01-01
Role of vibrational spectroscopy in solving problems related to astrobiology will be discussed. Vibrational (infrared) spectroscopy is a very sensitive tool for identifying molecules. Theoretical approach used in this work is based on direct computation of anharmonic vibrational frequencies and intensities from electronic structure codes. One of the applications of this computational technique is possible identification of biological building blocks (amino acids, small peptides, DNA bases) in the interstellar medium (ISM). Identifying small biological molecules in the ISM is very important from the point of view of origin of life. Hybrid (quantum mechanics/molecular mechanics) theoretical techniques will be discussed that may allow to obtain accurate vibrational spectra of biomolecular building blocks and to create a database of spectroscopic signatures that can assist observations of these molecules in space. Another application of the direct computational spectroscopy technique is to help to design and analyze experimental observations of ice surfaces of one of the Jupiter's moons, Europa, that possibly contains hydrated salts. The presence of hydrated salts on the surface can be an indication of a subsurface ocean and the possible existence of life forms inhabiting such an ocean.
Smith, Jeremy C.
2017-03-14
Although conformational change has long been recognized as critical to protein function, whether the same goes for equilibrium dynamical fluctuations has been the subject of myriad squabbles. There are also those who rigidly deny any dynamical effects, those who claim fluctuations drive functional conformational change, while those who claim to have snared exquisitely evolved function-channeling vibrations.
Blade Vibration Measurement System
NASA Technical Reports Server (NTRS)
Platt, Michael J.
2014-01-01
The Phase I project successfully demonstrated that an advanced noncontacting stress measurement system (NSMS) could improve classification of blade vibration response in terms of mistuning and closely spaced modes. The Phase II work confirmed the microwave sensor design process, modified the sensor so it is compatible as an upgrade to existing NSMS, and improved and finalized the NSMS software. The result will be stand-alone radar/tip timing radar signal conditioning for current conventional NSMS users (as an upgrade) and new users. The hybrid system will use frequency data and relative mode vibration levels from the radar sensor to provide substantially superior capabilities over current blade-vibration measurement technology. This frequency data, coupled with a reduced number of tip timing probes, will result in a system capable of detecting complex blade vibrations that would confound traditional NSMS systems. The hardware and software package was validated on a compressor rig at Mechanical Solutions, Inc. (MSI). Finally, the hybrid radar/tip timing NSMS software package and associated sensor hardware will be installed for use in the NASA Glenn spin pit test facility.
NASA Technical Reports Server (NTRS)
Ivanco, Thomas G. (Inventor)
2014-01-01
A vibration damper includes a rigid base with a mass coupled thereto for linear movement thereon. Springs coupled to the mass compress in response to the linear movement along either of two opposing directions. A converter coupled to the mass converts the linear movement to a corresponding rotational movement. A rotary damper coupled to the converter damps the rotational movement.
NASA Technical Reports Server (NTRS)
Leissa, A. W.
1973-01-01
The vibrational characteristics and mechanical properties of shell structures are discussed. The subjects presented are: (1) fundamental equations of thin shell theory, (2) characteristics of thin circular cylindrical shells, (3) complicating effects in circular cylindrical shells, (4) noncircular cylindrical shell properties, (5) characteristics of spherical shells, and (6) solution of three-dimensional equations of motion for cylinders.
Smith, Jeremy C.
Although conformational change has long been recognized as critical to protein function, whether the same goes for equilibrium dynamical fluctuations has been the subject of myriad squabbles. There are also those who rigidly deny any dynamical effects, those who claim fluctuations drive functional conformational change, while those who claim to have snared exquisitely evolved function-channeling vibrations.
High-Temperature Vibration Damper
NASA Technical Reports Server (NTRS)
Clarke, Alan; Litwin, Joel; Krauss, Harold
1987-01-01
Device for damping vibrations functions at temperatures up to 400 degrees F. Dampens vibrational torque loads as high as 1,000 lb-in. but compact enough to be part of helicopter rotor hub. Rotary damper absorbs energy from vibrating rod, dissipating it in turbulent motion of viscous hydraulic fluid forced by moving vanes through small orifices.
NASA Astrophysics Data System (ADS)
Yang, Feng; Zhang, Xiaofang; Huang, Yu; Hao, Weiwei; Guo, Baiwei
2012-11-01
Satellite platform vibration causes the image quality to be degraded, it is necessary to study its influence on image quality. The forms of Satellite platform vibration consist of linear vibration, sinusoidal vibration and random vibration. Based on Matlab & Zemax, the simulation system has been developed for simulating impact caused by satellite platform vibration on image quality. Dynamic Data Exchange is used for the communication between Matlab and Zemax. The data of sinusoidal vibration are produced by sinusoidal curve with specific amplitude and frequency. The data of random vibration are obtained by combining sinusoidal signals with 10Hz, 100Hz and 200Hz's frequency, 100, 12, 1.9's amplitude and white noise with zero mean value. Satellite platform vibration data which produced by Matlab are added to the optical system, and its point spread function can be obtained by Zemax. Blurred image can be gained by making the convolution of PSF and the original image. The definition of the original image and the blurred image are evaluated by using average gradient values of image gray. The impact caused by the sine and random vibration of six DOFs on the image quality are respectively simulated. The simulation result reveal that the decenter of X-, Y-, Z- direction and the tilt of Z-direction have a little effect on image quality, while the tilt of X-, Y- direction make image quality seriously degraded. Thus, it can be concluded that correcting the error of satellite platform vibration by FSM is a viable and effective way.
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.
The effects of vibration-reducing gloves on finger vibration
Welcome, Daniel E.; Dong, Ren G.; Xu, Xueyan S.; Warren, Christopher; McDowell, Thomas W.
2015-01-01
Vibration-reducing (VR) gloves have been used to reduce the hand-transmitted vibration exposures from machines and powered hand tools but their effectiveness remains unclear, especially for finger protection. The objectives of this study are to determine whether VR gloves can attenuate the vibration transmitted to the fingers and to enhance the understanding of the mechanisms of how these gloves work. Seven adult male subjects participated in the experiment. The fixed factors evaluated include hand force (four levels), glove condition (gel-filled, air bladder, no gloves), and location of the finger vibration measurement. A 3-D laser vibrometer was used to measure the vibrations on the fingers with and without wearing a glove on a 3-D hand-arm vibration test system. This study finds that the effect of VR gloves on the finger vibration depends on not only the gloves but also their influence on the distribution of the finger contact stiffness and the grip effort. As a result, the gloves increase the vibration in the fingertip area but marginally reduce the vibration in the proximal area at some frequencies below 100 Hz. On average, the gloves reduce the vibration of the entire fingers by less than 3% at frequencies below 80 Hz but increase at frequencies from 80 to 400 Hz. At higher frequencies, the gel-filled glove is more effective at reducing the finger vibration than the air bladder-filled glove. The implications of these findings are discussed. Relevance to industry Prolonged, intensive exposure to hand-transmitted vibration can cause hand-arm vibration syndrome. Vibration-reducing gloves have been used as an alternative approach to reduce the vibration exposure. However, their effectiveness for reducing finger-transmitted vibrations remains unclear. This study enhanced the understanding of the glove effects on finger vibration and provided useful information on the effectiveness of typical VR gloves at reducing the vibration transmitted to the fingers. The new
Vibration sensing method and apparatus
Barna, B.A.
1989-04-25
A method and apparatus for nondestructive evaluation of a structure are disclosed. Resonant audio frequency vibrations are excited in the structure to be evaluated and the vibrations are measured and characterized to obtain information about the structure. The vibrations are measured and characterized by reflecting a laser beam from the vibrating structure and directing a substantial portion of the reflected beam back into the laser device used to produce the beam which device is capable of producing an electric signal containing information about the vibration. 4 figs.
Vibration sensing method and apparatus
Barna, B.A.
1987-07-07
A method and apparatus for nondestructive evaluation of a structure is disclosed. Resonant audio frequency vibrations are excited in the structure to be evaluated and the vibrations are measured and characterized to obtain information about the structure. The vibrations are measured and characterized by reflecting a laser beam from the vibrating structure and directing a substantial portion of the reflected beam back into the laser device used to produce the beam which device is capable of producing an electric signal containing information about the vibration. 4 figs.
Vibration sensing method and apparatus
Barna, Basil A.
1989-04-25
A method and apparatus for nondestructive evaluation of a structure is disclosed. Resonant audio frequency vibrations are excited in the structure to be evaluated and the vibrations are measured and characterized to obtain information about the structure. The vibrations are measured and characterized by reflecting a laser beam from the vibrating structure and directing a substantial portion of the reflected beam back into the laser device used to produce the beam which device is capable of producing an electric signal containing information about the vibration.
Manzhos, Sergei; Carrington, Tucker
2016-12-14
We demonstrate that it is possible to use basis functions that depend on curvilinear internal coordinates to compute vibrational energy levels without deriving a kinetic energy operator (KEO) and without numerically computing coefficients of a KEO. This is done by using a space-fixed KEO and computing KEO matrix elements numerically. Whenever one has an excellent basis, more accurate solutions to the Schrödinger equation can be obtained by computing the KEO, potential, and overlap matrix elements numerically. Using a Gaussian basis and bond coordinates, we compute vibrational energy levels of formaldehyde. We show, for the first time, that it is possible with a Gaussian basis to solve a six-dimensional vibrational Schrödinger equation. For the zero-point energy (ZPE) and the lowest 50 vibrational transitions of H 2 CO, we obtain a mean absolute error of less than 1 cm -1 ; with 200 000 collocation points and 40 000 basis functions, most errors are less than 0.4 cm -1 .
NASA Astrophysics Data System (ADS)
Manzhos, Sergei; Carrington, Tucker
2016-12-01
We demonstrate that it is possible to use basis functions that depend on curvilinear internal coordinates to compute vibrational energy levels without deriving a kinetic energy operator (KEO) and without numerically computing coefficients of a KEO. This is done by using a space-fixed KEO and computing KEO matrix elements numerically. Whenever one has an excellent basis, more accurate solutions to the Schrödinger equation can be obtained by computing the KEO, potential, and overlap matrix elements numerically. Using a Gaussian basis and bond coordinates, we compute vibrational energy levels of formaldehyde. We show, for the first time, that it is possible with a Gaussian basis to solve a six-dimensional vibrational Schrödinger equation. For the zero-point energy (ZPE) and the lowest 50 vibrational transitions of H2CO, we obtain a mean absolute error of less than 1 cm-1; with 200 000 collocation points and 40 000 basis functions, most errors are less than 0.4 cm-1.
Shen, Shixin (Cindy); House, Ronald A.
2017-01-01
Résumé Objectif Permettre aux médecins de famille de comprendre l’épidémiologie, la pathogenèse, les symptômes, le diagnostic et la prise en charge de la maladie des vibrations, une maladie professionnelle importante et courante au Canada. Sources d’information Une recherche a été effectuée sur MEDLINE afin de relever les recherches et comptes rendus portant sur la maladie des vibrations. Une recherche a été effectuée sur Google dans le but d’obtenir la littérature grise qui convient au contexte canadien. D’autres références ont été tirées des articles relevés. Message principal La maladie des vibrations est une maladie professionnelle répandue touchant les travailleurs de diverses industries qui utilisent des outils vibrants. La maladie est cependant sous-diagnostiquée au Canada. Elle compte 3 éléments : vasculaire, sous la forme d’un phénomène de Raynaud secondaire; neurosensoriel; et musculosquelettique. Aux stades les plus avancés, la maladie des vibrations entraîne une invalidité importante et une piètre qualité de vie. Son diagnostic exige une anamnèse minutieuse, en particulier des antécédents professionnels, un examen physique, des analyses de laboratoire afin d’éliminer les autres diagnostics, et la recommandation en médecine du travail aux fins d’investigations plus poussées. La prise en charge consiste à réduire l’exposition aux vibrations, éviter les températures froides, abandonner le tabac et administrer des médicaments. Conclusion Pour assurer un diagnostic rapide de la maladie des vibrations et améliorer le pronostic et la qualité de vie, les médecins de famille devraient connaître cette maladie professionnelle courante, et pouvoir obtenir les détails pertinents durant l’anamnèse, recommander les patients aux cliniques de médecine du travail et débuter les demandes d’indemnisation de manière appropriée. PMID:28292812
Hanson-Heine, Magnus W. D., E-mail: magnus.hansonheine@nottingham.ac.uk
Carefully choosing a set of optimized coordinates for performing vibrational frequency calculations can significantly reduce the anharmonic correlation energy from the self-consistent field treatment of molecular vibrations. However, moving away from normal coordinates also introduces an additional source of correlation energy arising from mode-coupling at the harmonic level. The impact of this new component of the vibrational energy is examined for a range of molecules, and a method is proposed for correcting the resulting self-consistent field frequencies by adding the full coupling energy from connected pairs of harmonic and pseudoharmonic modes, termed vibrational self-consistent field (harmonic correlation). This approach ismore » found to lift the vibrational degeneracies arising from coordinate optimization and provides better agreement with experimental and benchmark frequencies than uncorrected vibrational self-consistent field theory without relying on traditional correlated methods.« less
Molecular vibrational energy flow
NASA Astrophysics Data System (ADS)
Gruebele, M.; Bigwood, R.
This article reviews some recent work in molecular vibrational energy flow (IVR), with emphasis on our own computational and experimental studies. We consider the problem in various representations, and use these to develop a family of simple models which combine specific molecular properties (e.g. size, vibrational frequencies) with statistical properties of the potential energy surface and wavefunctions. This marriage of molecular detail and statistical simplification captures trends of IVR mechanisms and survival probabilities beyond the abilities of purely statistical models or the computational limitations of full ab initio approaches. Of particular interest is IVR in the intermediate time regime, where heavy-atom skeletal modes take over the IVR process from hydrogenic motions even upon X H bond excitation. Experiments and calculations on prototype heavy-atom systems show that intermediate time IVR differs in many aspects from the early stages of hydrogenic mode IVR. As a result, IVR can be coherently frozen, with potential applications to selective chemistry.
Thermoelastic vibration test techniques
NASA Technical Reports Server (NTRS)
Kehoe, Michael W.; Snyder, H. Todd
1991-01-01
The structural integrity of proposed high speed aircraft can be seriously affected by the extremely high surface temperatures and large temperature gradients throughout the vehicle's structure. Variations in the structure's elastic characteristics as a result of thermal effects can be observed by changes in vibration frequency, damping, and mode shape. Analysis codes that predict these changes must be correlated and verified with experimental data. The experimental modal test techniques and procedures used to conduct uniform, nonuniform, and transient thermoelastic vibration tests are presented. Experimental setup and elevated temperature instrumentation considerations are also discussed. Modal data for a 12 by 50 inch aluminum plate heated to a temperature of 475 F are presented. These data show the effect of heat on the plate's modal characteristics. The results indicated that frequency decreased, damping increased, and mode shape remained unchanged as the temperature of the plate was increased.
Vibrational Properties of Anhydrous and Partially Hydrated Uranyl Fluoride
Anderson, Brian B.; Kirkegaard, Marie C.; Miskowiec, Andrew J.; ...
2017-01-01
Uranyl fluoride (UO 2F 2) is a hygroscopic powder with two main structural phases: an anhydrous crystal and a partially hydrated crystal of the same R¯3m symmetry. The formally closed-shell electron structure of anhydrous UO 2F 2 is amenable to density functional theory calculations. We use density functional perturbation theory (DFPT) to calculate the vibrational frequencies of the anhydrous crystal structure and employ complementary inelastic neutron scattering and temperature-dependent Raman scattering to validate those frequencies. As a model closed-shell actinide, we investigated the effect of LDA, GGA, and non-local vdW functionals as well as the spherically-averaged Hubbard +U correction onmore » vibrational frequencies, electronic structure, and geometry of anhydrous UO 2F 2. A particular choice of U eff = 5.5 eV yields the correct U Oyl bond distance and vibrational frequencies for the characteristic Eg and A1g modes that are within the resolution of experiment. Inelastic neutron scattering and Raman scattering suggest a degree of water coupling to the lattice vibrations in the more experimentally accessible partially hydrated UO 2F 2 system, with the symmetric O-U-O stretching vibration shifted approximately 47 cm -1 lower in energy compared to the anhydrous structure. Evidence of water interaction with the uranyl ion is present from a two-peak decomposition of the uranyl stretching vibration in the Raman spectra and anion hydrogen stretching vibrations in the inelastic neutron scattering spectra. A first-order dehydration phase transition temperature is definitively identified to be 125 °C using temperature-dependent Raman scattering.« less
Vibration isolation mounting system
NASA Technical Reports Server (NTRS)
Carter, Sam D. (Inventor); Bastin, Paul H. (Inventor)
1995-01-01
A system is disclosed for mounting a vibration producing device onto a spacecraft structure and also for isolating the vibration forces thereof from the structure. The system includes a mount on which the device is securely mounted and inner and outer rings. The rings and mount are concentrically positioned. The system includes a base (secured to the structure) and a set of links which are interconnected by a set of torsion bars which allow and resist relative rotational movement therebetween. The set of links are also rotatably connected to a set of brackets which are rigidly connected to the outer ring. Damped leaf springs interconnect the inner and outer rings and the mount allow relative translational movement therebetween in X and Y directions. The links, brackets and base are interconnected and configured so that they allow and resist translational movement of the device in the Z direction so that in combination with the springs they provide absorption of vibrational energy produced by the device in all three dimensions while providing rotational stiffness about all three axes to prevent undesired rotational motions.
Design of vibration sensor based on fiber Bragg grating
NASA Astrophysics Data System (ADS)
Zhang, Zhengyi; Liu, Chuntong
2017-12-01
Fiber grating is a kind of new type of fiber optic light source device which has been rapidly changing in the refractive index of the core in recent years. Especially, it can realize the high precision of the external parameters by means of the special structure design and the encapsulation technology [1, 2]. In this paper, a fiber grating vibration sensor which is suitable for vibration monitoring in key areas is designed based on the technical background of vibration monitoring system. The sensor uses a single beam structure and pastes the fiber Bragg grating (FBG) to measure the vibration wavelength on the surface. When the vibration is simply harmonic vibration, the Bragg reflection wavelength will change periodically, and the periodic variation of the wavelength curve can be measured by the fiber grating demodulator, then the correctness of the experimental results is verified. In this paper, through the analysis of the data measured by the demodulator, the MATLAB software is used to verify the data, and the different frequency domains, the modes, and the phase frequency curves are obtained. The measurement range is 0 Hz-100 Hz, and the natural frequency is 90.6 Hz.
Vibration sensing in smart machine rotors using internal MEMS accelerometers
NASA Astrophysics Data System (ADS)
Jiménez, Samuel; Cole, Matthew O. T.; Keogh, Patrick S.
2016-09-01
This paper presents a novel topology for enhanced vibration sensing in which wireless MEMS accelerometers embedded within a hollow rotor measure vibration in a synchronously rotating frame of reference. Theoretical relations between rotor-embedded accelerometer signals and the vibration of the rotor in an inertial reference frame are derived. It is thereby shown that functionality as a virtual stator-mounted displacement transducer can be achieved through appropriate signal processing. Experimental tests on a prototype rotor confirm that both magnitude and phase information of synchronous vibration can be measured directly without additional stator-mounted key-phasor sensors. Displacement amplitudes calculated from accelerometer signals will become erroneous at low rotational speeds due to accelerometer zero-g offsets, hence a corrective procedure is introduced. Impact tests are also undertaken to examine the ability of the internal accelerometers to measure transient vibration. A further capability is demonstrated, whereby the accelerometer signals are used to measure rotational speed of the rotor by analysing the signal component due to gravity. The study highlights the extended functionality afforded by internal accelerometers and demonstrates the feasibility of internal sensor topologies, which can provide improved observability of rotor vibration at externally inaccessible rotor locations.
Vibration monitoring via nano-composite piezoelectric foam bushings
NASA Astrophysics Data System (ADS)
Bird, Evan T.; Merrell, A. Jake; Anderson, Brady K.; Newton, Cory N.; Rosquist, Parker G.; Fullwood, David T.; Bowden, Anton E.; Seeley, Matthew K.
2016-11-01
Most mechanical systems produce vibrations as an inherent side effect of operation. Though some vibrations are acceptable in operation, others can cause damage or signal a machine’s imminent failure. These vibrations would optimally be monitored in real-time, without human supervision to prevent failure and excessive wear in machinery. This paper explores a new alternative to currently-used machine-monitoring equipment, namely a piezoelectric foam sensor system. These sensors are made of a silicone-based foam embedded with nano- and micro-scale conductive particles. Upon impact, they emit an electric response that is directly correlated with impact energy, with no electrical power input. In the present work, we investigated their utility as self-sensing bushings on machinery. These sensors were found to accurately detect both the amplitude and frequency of typical machine vibrations. The bushings could potentially save time and money over other vibration sensing mechanisms, while simultaneously providing a potential control input that could be utilized for correcting vibrational imbalance.
Vibrational Spectroscopy of CO2- Radical Anion in Water
NASA Astrophysics Data System (ADS)
Janik, Ireneusz; Tripathi, G. N. R.
2016-06-01
The reductive conversion of CO2 into industrial products (e.g., oxalic acid, formic acid, and methanol) can occur via aqueous CO2- as a transient intermediate. While the formation, structure and reaction pathways of this radical anion have been modelled for decades using various spectroscopic and theoretical approaches, we present here, for the first time, a vibrational spectroscopic investigation in liquid water, using pulse radiolysis time-resolved resonance Raman spectroscopy for its preparation and observation. Excitation of the radical in resonance with its 235 nm absorption displays a transient Raman band at 1298 wn, attributed to the symmetric CO stretch, which is at 45 wn higher frequency than in inert matrices. Isotopic substitution at C (13CO2-) shifts the frequency downwards by 22 wn which confirms its origin and the assignment. A Raman band of moderate intensity compared to the stronger 1298 wn band also appears at 742 wn, and is assignable to the OCO bending mode. A reasonable resonance enhancement of this mode is possible only in a bent CO2-(C2v/Cs) geometry. These resonance Raman features suggest a strong solute-solvent interaction, the water molecules acting as constituents of the radical structure, rather than exerting a minor solvent perturbation. However, there is no evidence of the non-equivalence (Cs) of the two CO bonds. A surprising resonance Raman feature is the lack of overtones of the symmetric CO stretch, which we interpret due to the detachment of the electron from the CO2- moiety towards the solvation shell. Electron detachment occurs at the energies of 0.28+/-0.03 eV or higher with respect to the zero point energy of the ground electronic state. The issue of acid-base equilibrium of the radical which has been in contention for decades, as reflected in a wide variation in the reported pKa (-0.2 to 3.9), has been resolved. A value of 3.4+/-0.2 measured in this work is consistent with the vibrational properties, bond structure and charge
Vibration damping method and apparatus
Redmond, J.M.; Barney, P.S.; Parker, G.G.; Smith, D.A.
1999-06-22
The present invention provides vibration damping method and apparatus that can damp vibration in more than one direction without requiring disassembly, that can accommodate varying tool dimensions without requiring re-tuning, and that does not interfere with tool tip operations and cooling. The present invention provides active dampening by generating bending moments internal to a structure such as a boring bar to dampen vibration thereof. 38 figs.
Vibration damping method and apparatus
Redmond, James M.; Barney, Patrick S.; Parker, Gordon G.; Smith, David A.
1999-01-01
The present invention provides vibration damping method and apparatus that can damp vibration in more than one direction without requiring disassembly, that can accommodate varying tool dimensions without requiring re-tuning, and that does not interfere with tool tip operations and cooling. The present invention provides active dampening by generating bending moments internal to a structure such as a boring bar to dampen vibration thereof.
Torsional vibration of aircraft engines
NASA Technical Reports Server (NTRS)
Lurenbaum, Karl
1932-01-01
Exhaustive torsional-vibration investigations are required to determine the reliability of aircraft engines. A general outline of the methods used for such investigations and of the theoretical and mechanical means now available for this purpose is given, illustrated by example. True vibration diagrams are usually obtained from vibration measurements on the completed engine. Two devices for this purpose and supplementing each other, the D.V.L. torsiograph and the D.V.L. torsion recorder, are described in this report.
NASA Astrophysics Data System (ADS)
Dian, Brian C.; Florio, Gina M.; Clarkson, Jasper R.; Longarte, Asier; Zwier, Timothy S.
2004-05-01
The conformational isomerization dynamics of melatonin and 5-methoxy N-acetyltryptophan methyl amide (5-methoxy NATMA) have been studied using the methods of IR-UV hole-filling spectroscopy and IR-induced population transfer spectroscopy. Using these techniques, single conformers of melatonin were excited via a well-defined NH stretch fundamental with an IR pump laser. This excess energy was used to drive conformational isomerization. By carrying out the infrared excitation early in a supersonic expansion, the excited molecules were re-cooled into their zero-point levels, partially re-filling the hole created in the ground state population of the excited conformer, and creating gains in population of the other conformers. These changes in population were detected using laser-induced fluorescence downstream in the expansion via an UV probe laser. The isomerization quantum yields for melatonin show some conformation specificity but no hint of vibrational mode specificity. In 5-methoxy NATMA, no isomerization was observed out of the single conformational well populated in the expansion in the absence of the infrared excitation. In order to study the dependence of the isomerization on the cooling rate, the experimental arrangement was modified so that faster cooling conditions could be studied. In this arrangement, the pump and probe lasers were overlapped in space in the high density region of the expansion, and the time dependence of the zero-point level populations of the conformers was probed following selective excitation of a single conformation. The analysis needed to extract isomerization quantum yields from the timing scans was developed and applied to the melatonin timing scans. Comparison between the frequency and time domain isomerization quantum yields under identical experimental conditions produced similar results. Under fast cooling conditions, the product quantum yields were shifted from their values under standard conditions. The results for melatonin
Resonance vibrations of aircraft propellers
NASA Technical Reports Server (NTRS)
Liebers, Fritz
1932-01-01
On the basis of the consideration of various possible kinds of propeller vibrations, the resonance vibrations caused by unequal impacts of the propeller blades appear to be the most important. Their theoretical investigation is made by separate analysis of torsional and bending vibrations. This method is justified by the very great difference in the two natural frequencies of aircraft propeller blades. The calculated data are illustrated by practical examples. Thereby the observed vibration phenomenon in the given examples is explained by a bending resonance, for which the bending frequency of the propeller is equal to twice the revolution speed.
Computer analysis of railcar vibrations
NASA Technical Reports Server (NTRS)
Vlaminck, R. R.
1975-01-01
Computer models and techniques for calculating railcar vibrations are discussed along with criteria for vehicle ride optimization. The effect on vibration of car body structural dynamics, suspension system parameters, vehicle geometry, and wheel and rail excitation are presented. Ride quality vibration data collected on the state-of-the-art car and standard light rail vehicle is compared to computer predictions. The results show that computer analysis of the vehicle can be performed for relatively low cost in short periods of time. The analysis permits optimization of the design as it progresses and minimizes the possibility of excessive vibration on production vehicles.
NASA Astrophysics Data System (ADS)
Kürster, M.; Bertram, T.; Borelli, J. L.; Brix, M.; Gässler, W.; Herbst, T. M.; Naranjo, V.; Pott, J.-U.; Trowitzsch, J.; Connors, T. E.; Hinz, P. M.; McMahon, T. J.; Ashby, D. S.; Brynnel, J. G.; Cushing, N. J.; Edgin, T.; Esguerra, J. D.; Green, R. F.; Kraus, J.; Little, J.; Beckmann, U.; Weigelt, G. P.
2010-07-01
Characterisation, mitigation and correction of telescope vibrations have proven to be crucial for the performance of astronomical infrared interferometers. The project teams of the interferometers for the LBT, LINC-NIRVANA and LBTI, and LBT Observatory (LBTO) have embarked on a joint effort to implement an accelerometer-based vibration measurement system distributed over the optical elements of the LBT. OVMS, the Optical Path Difference and Vibration Monitoring System will serve to (i) ensure conditions suitable for adaptive optics (AO) and interferometric (IF) observations and (ii) utilize vibration information, converted into tip-tilt and optical path difference data, in the control strategies of the LBT adaptive secondary mirrors and the beam combining interferometers. The system hardware is mainly developed by Steward Observatory's LBTI team and its installation at the LBT is underway. The OVMS software development and associated computer infrastructure is the responsibility of the LINC-NIRVANA team at MPIA Heidelberg. Initially, the OVMS will fill a data archive provided by LBTO that will be used to study vibration data and correlate them with telescope movements and environmental parameters thereby identifiying sources of vibrations and to eliminate or mitigate them. Data display tools will help LBTO staff to keep vibrations within predefined thresholds for quiet conditions for AO and IF observations. Later-on real-time data from the OVMS will be fed into the control loops of the AO systems and IF instruments in order to permit the correction of vibration signals with frequencies up to 450 Hz.
Structural Acoustics and Vibrations
NASA Astrophysics Data System (ADS)
Chaigne, Antoine
This chapter is devoted to vibrations of structures and to their coupling with the acoustic field. Depending on the context, the radiated sound can be judged as desirable, as is mostly the case for musical instruments, or undesirable, like noise generated by machinery. In architectural acoustics, one main goal is to limit the transmission of sound through walls. In the automobile industry, the engineers have to control the noise generated inside and outside the passenger compartment. This can be achieved by means of passive or active damping. In general, there is a strong need for quieter products and better sound quality generated by the structures in our daily environment.
Chaotic vortex induced vibrations
Zhao, J.; Sheridan, J.; Leontini, J. S.
2014-12-15
This study investigates the nature of the dynamic response of an elastically mounted cylinder immersed in a free stream. A novel method is utilized, where the motion of the body during a free vibration experiment is accurately recorded, and then a second experiment is conducted where the cylinder is externally forced to follow this recorded trajectory. Generally, the flow response during both experiments is identical. However, particular regimes exist where the flow response is significantly different. This is taken as evidence of chaos in these regimes.
Turbine blade vibration dampening
Cornelius, C.C.; Pytanowski, G.P.; Vendituoli, J.S.
1997-07-08
The present turbine wheel assembly increases component life and turbine engine longevity. The combination of the strap and the opening combined with the preestablished area of the outer surface of the opening and the preestablished area of the outer circumferential surface of the strap and the friction between the strap and the opening increases the life and longevity of the turbine wheel assembly. Furthermore, the mass ``M`` or combined mass ``CM`` of the strap or straps and the centrifugal force assist in controlling vibrations and damping characteristics. 5 figs.
Turbine blade vibration dampening
Cornelius, Charles C.; Pytanowski, Gregory P.; Vendituoli, Jonathan S.
1997-07-08
The present turbine wheel assembly increases component life and turbine engine longevity. The combination of the strap and the opening combined with the preestablished area of the outer surface of the opening and the preestablished area of the outer circumferential surface of the strap and the friction between the strap and the opening increases the life and longevity of the turbine wheel assembly. Furthermore, the mass "M" or combined mass "CM" of the strap or straps and the centrifugal force assist in controlling vibrations and damping characteristics.
The agricultural pest, glassy-winged sharpshooter (GWSS), Homalodisca vitripennis, relies primarily on successful vibrational communication across its home plant. Males and females engage in a vibrational duet to identify correct species, attractiveness of mate, and location on the plant. The signal...
Nonlinear finite amplitude torsional vibrations of cantilevers in viscous fluids
NASA Astrophysics Data System (ADS)
Aureli, Matteo; Pagano, Christopher; Porfiri, Maurizio
2012-06-01
In this paper, we study torsional vibrations of cantilever beams undergoing moderately large oscillations within a quiescent viscous fluid. The structure is modeled as an Euler-Bernoulli beam, with thin rectangular cross section, under base excitation. The distributed hydrodynamic loading experienced by the vibrating structure is described through a complex-valued hydrodynamic function which incorporates added mass and fluid damping elicited by moderately large rotations. We conduct a parametric study on the two dimensional computational fluid dynamics of a pitching rigid lamina, representative of a generic beam cross section, to investigate the dependence of the hydrodynamic function on the governing flow parameters. As the frequency and amplitude of the oscillation increase, vortex shedding and convection phenomena increase, thus resulting into nonlinear hydrodynamic damping. We derive a handleable nonlinear correction to the classical hydrodynamic function developed for small amplitude torsional vibrations for use in a reduced order nonlinear modal model and we validate theoretical results against experimental findings.
Subsychronous vibration of multistage centrifugal compressors forced by rotating stall
NASA Technical Reports Server (NTRS)
Fulton, J. W.
1987-01-01
A multistage centrifugal compressor, in natural gas re-injection service on an offshore petroleum production platform, experienced subsynchronous vibrations which caused excessive bearing wear. Field performance testing correlated the subsynchronous amplitude with the discharge flow coefficient, demonstrating the excitation to be aerodynamic. Adding two impellers allowed an increase in the diffuser flow angle (with respect to tangential) to meet the diffuser stability criteria based on factory and field tests correlated using the theory of Senoo (for rotating stall in a vaneless diffuser). This modification eliminated all significant subsynchronous vibrations in field service, thus confirming the correctness of the solution. Other possible sources of aerodynamically induced vibrations were considered, but the judgment that those are unlikely has been confirmed by subsequent experience with other similar compressors.
14 CFR 27.907 - Engine vibration.
Code of Federal Regulations, 2010 CFR
2010-01-01
... engine to excessive vibration stresses. This must be shown by a vibration investigation. (c) No part of the rotor drive system may be subjected to excessive vibration stresses. Rotor Drive System ...
Melt Stirring by Horizontal Crucible Vibration
NASA Technical Reports Server (NTRS)
Wolf, M. F.; Elwell, D.; Feigelson, R. S.
1985-01-01
Horizontal vibration suggested as technique for more effective stirring of melts in crystal-growth apparatus. Vibrational technique may replace accelerated crucible rotation. Potential superiority of vibrational technique shown by preliminary experiments in which ink stirred into water.
14 CFR 27.907 - Engine vibration.
Code of Federal Regulations, 2011 CFR
2011-01-01
... engine to excessive vibration stresses. This must be shown by a vibration investigation. (c) No part of the rotor drive system may be subjected to excessive vibration stresses. Rotor Drive System ...
14 CFR 27.907 - Engine vibration.
Code of Federal Regulations, 2012 CFR
2012-01-01
... engine to excessive vibration stresses. This must be shown by a vibration investigation. (c) No part of the rotor drive system may be subjected to excessive vibration stresses. Rotor Drive System ...
14 CFR 27.907 - Engine vibration.
Code of Federal Regulations, 2014 CFR
2014-01-01
... engine to excessive vibration stresses. This must be shown by a vibration investigation. (c) No part of the rotor drive system may be subjected to excessive vibration stresses. Rotor Drive System ...
14 CFR 27.907 - Engine vibration.
Code of Federal Regulations, 2013 CFR
2013-01-01
... engine to excessive vibration stresses. This must be shown by a vibration investigation. (c) No part of the rotor drive system may be subjected to excessive vibration stresses. Rotor Drive System ...
Studies Of Vibrations In Gearboxes
NASA Technical Reports Server (NTRS)
Choy, Fred K.; Ruan, Yeefeng F.; Tu, Yu K.; Zakrajsek, James J.; Oswald, Fred B.; Coy, John J.; Townsend, Dennis P.
1994-01-01
Three NASA technical memorandums summarize studies of vibrations in gearboxes. Directed toward understanding and reducing gearbox noise caused by coupling of vibrations from meshing gears, through gear shafts and their bearings, to surfaces of gearbox housings. Practical systems in which understanding and reduction of gearbox noise beneficial include helicopter, car, and truck transmissions; stationary geared systems; and gear-driven actuator systems.
Low Cost Digital Vibration Meter.
Payne, W Vance; Geist, Jon
2007-01-01
This report describes the development of a low cost, digital Micro Electro Mechanical System (MEMS) vibration meter that reports an approximation to the RMS acceleration of the vibration to which the vibration meter is subjected. The major mechanical element of this vibration meter is a cantilever beam, which is on the order of 500 µm in length, with a piezoresistor deposited at its base. Vibration of the device in the plane perpendicular to the cantilever beam causes it to bend, which produces a measurable change in the resistance of a piezoresistor. These changes in resistance along with a unique signal-processing scheme are used to determine an approximation to the RMS acceleration sensed by the device.
Low Cost Digital Vibration Meter
Payne, W. Vance; Geist, Jon
2007-01-01
This report describes the development of a low cost, digital Micro Electro Mechanical System (MEMS) vibration meter that reports an approximation to the RMS acceleration of the vibration to which the vibration meter is subjected. The major mechanical element of this vibration meter is a cantilever beam, which is on the order of 500 µm in length, with a piezoresistor deposited at its base. Vibration of the device in the plane perpendicular to the cantilever beam causes it to bend, which produces a measurable change in the resistance of a piezoresistor. These changes in resistance along with a unique signal-processing scheme are used to determine an approximation to the RMS acceleration sensed by the device. PMID:27110459
Coherent vibrational climbing in carboxyhemoglobin
Ventalon, Cathie; Fraser, James M.; Vos, Marten H.; Alexandrou, Antigoni; Martin, Jean-Louis; Joffre, Manuel
2004-01-01
We demonstrate vibrational climbing in the CO stretch of carboxyhemoglobin pumped by midinfrared chirped ultrashort pulses. By use of spectrally resolved pump-probe measurements, we directly observed the induced absorption lines caused by excited vibrational populations up to v = 6. In some cases, we also observed stimulated emission, providing direct evidence of vibrational population inversion. This study provides important spectroscopic parameters on the CO stretch in the strong-field regime, such as transition frequencies and dephasing times up to the v = 6to v = 7 vibrational transition. We measured equally spaced vibrational transitions, in agreement with the energy levels of a Morse potential up to v = 6. It is interesting that the integral of the differential absorption spectra was observed to deviate far from zero, in contrast to what one would expect from a simple one-dimensional Morse model assuming a linear dependence of dipole moment with bond length. PMID:15319472
Force Limited Vibration Testing Monograph
NASA Technical Reports Server (NTRS)
Scharton, Terry D.
1997-01-01
The practice of limiting the shaker force in vibration tests was investigated at the NASA Jet Propulsion Laboratory (JPL) in 1990 after the mechanical failure of an aerospace component during a vibration test. Now force limiting is used in almost every major vibration test at JPL and in many vibration tests at NASA Goddard Space Flight Center (GSFC) and at many aerospace contractors. The basic ideas behind force limiting have been in the literature for several decades, but the piezo-electric force transducers necessary to conveniently implement force limiting have been available only in the last decade. In 1993, funding was obtained from the NASA headquarters Office of Chief Engineer to develop and document the technology needed to establish force limited vibration testing as a standard approach available to all NASA centers and aerospace contractors. This monograph is the final report on that effort and discusses the history, theory, and applications of the method in some detail.
Vibration control for the ARGOS laser launch path
NASA Astrophysics Data System (ADS)
Peter, Diethard; Gässler, Wolfgang; Borelli, Jose; Barl, Lothar; Rabien, S.
2012-07-01
Present and future adaptive optics systems aim for the correction of the atmospheric turbulence over a large field of view combined with large sky coverage. To achieve this goal the telescope is equipped with multiple laser beacons. Still, to measure tip-tilt aberrations a natural guide star is used. For some fields such a tilt-star is not available and a correction on the laser beacons alone is applied. For this method to work well the laser beacons must not be affected by telescope vibrations on their up-link path. For the ARGOS system the jitter of the beacons is specified to be below 0.05. To achieve this goal a vibration compensation system is necessary to mitigate the mechanical disturbances. The ARGOS vibration compensation system is an accelerometer based feed forward system. The accelerometer measurements are fed into a real time controller. To achieve high performance the controller of the system is model based. The output is applied to a fast steering mirror. This paper presents the concept of the ARGOS vibration compensation, the hardware, and laboratory results.
Structural Acoustics and Vibrations
NASA Astrophysics Data System (ADS)
Chaigne, Antoine
This
Possible Mechanisms of Low Back Pain due to Whole-Body Vibration
NASA Astrophysics Data System (ADS)
Pope, M. H.; Wilder, D. G.; Magnusson, M.
1998-08-01
The investigators describe their multifaceted approach to the study of the relationship between whole-body vibration and low back pain.In vitroexperiments, using percutaneous pin-mounted accelerometers have shown that the natural frequency is at 4·5 Hz. The frequency response was affected by posture, seating, and seat-back inclination. The response appears to be largely determined by the rocking of the pelvis. Electromyographic studies have shown that muscle fatigue occurs under whole body vibration. After whole body vibration exposure the muscle response to a sudden load has greater latency. Vehicle driving may be a reason for low back pain or herniated nucleus pulposus. Prolonged seating exposure, coupled with the whole body vibration should be reduced for those recovering from these problems. Vibration attenuating seats, and correct ergonomic layout of the cabs may reduce the risks of recurrence.
NASA Astrophysics Data System (ADS)
Kustova, E. V.; Savelev, A. S.; Kunova, O. V.
2018-05-01
Theoretical models for the vibrational state-resolved Zeldovich reaction are assessed by comparison with the results of quasi-classical trajectory (QCT) calculations. An error in the model of Aliat is corrected; the model is generalized taking into account NO vibrational states. The proposed model is fairly simple and can be easily implemented to the software for non-equilibrium flow modeling. It provides a good agreement with the QCT rate coefficients in the whole range of temperatures and reagent/product vibrational states. The developed models are tested in simulations of vibrational and chemical relaxation of air mixture behind a shock wave. The importance of accounting for excitated NO vibrational states and accurate prediction of Zeldovich reactions rates is shown.
Enhancement to Non-Contacting Stress Measurement of Blade Vibration Frequency
NASA Technical Reports Server (NTRS)
Platt, Michael; Jagodnik, John
2011-01-01
A system for turbo machinery blade vibration has been developed that combines time-of-arrival sensors for blade vibration amplitude measurement and radar sensors for vibration frequency and mode identification. The enabling technology for this continuous blade monitoring system is the radar sensor, which provides a continuous time series of blade displacement over a portion of a revolution. This allows the data reduction algorithms to directly calculate the blade vibration frequency and to correctly identify the active modes of vibration. The work in this project represents a significant enhancement in the mode identification and stress calculation accuracy in non-contacting stress measurement system (NSMS) technology when compared to time-of-arrival measurements alone.
Preliminary recognition of whole body vibration risk in private farmers' working environment.
Solecki, Leszek
2007-01-01
The objective of the study was the preliminary recognition of whole body mechanical vibration risk among farmers in the rural work environment. The study covered 15 farms using cultivated land of the size of over 10 ha, carrying out mixed production (plant-animal), equipped with agricultural tractors, and a basic set of tractor-mounted agricultural machinery, with a partial contribution of self-propelled agricultural machines. The scope of the study covered the measurements of effective vibration RMS acceleration (equivalent, maximum, minimum, peak) frequency corrected on the seats of agricultural vehicles in the three spatial directions of vibration (X, Y, Z). These measurements were realized while performing various field and transport work activities during the period of the whole year. A analysis of the peak, maximum and minimum vibration accelerations confirms that in the agricultural occupational environment there occurs a considerable variation of the vibration values registered. This is also evidenced by high values of the Crest Factor, sometimes exceeding a score of 10. Analysis of the registered equivalent values of vibration acceleration (frequency corrected) from the hygienic aspect showed that vibration occurring on the seats may create risk for farmers' health while performing such work activities as: tending and raking of hay, fertilizers spreading, soil aggregation, grass mowing and cultivation. Analysis of the spatial distribution of the measured, frequency corrected vibration accelerations indicates that considerably the highest acceleration values occur in the vertical plane (direction-Z). Literature data clearly confirm an unfavourable effect of whole body vibration present in agricultural vehicles on discomfort and the occurrence of back pain in the operators, especially in the low back region (lumbar spine), as well as degenerative changes in the spine.
Seminar on Understanding Digital Control and Analysis in Vibration Test Systems, part 2
NASA Technical Reports Server (NTRS)
1975-01-01
A number of techniques for dealing with important technical aspects of the random vibration control problem are described. These include the generation of pseudo-random and true random noise, the control spectrum estimation problem, the accuracy/speed tradeoff, and control correction strategies. System hardware, the operator-system interface, safety features, and operational capabilities of sophisticated digital random vibration control systems are also discussed.
Vibrational Spectroscopy of Ionic Liquids.
Paschoal, Vitor H; Faria, Luiz F O; Ribeiro, Mauro C C
2017-05-24
Vibrational spectroscopy has continued use as a powerful tool to characterize ionic liquids since the literature on room temperature molten salts experienced the rapid increase in number of publications in the 1990's. In the past years, infrared (IR) and Raman spectroscopies have provided insights on ionic interactions and the resulting liquid structure in ionic liquids. A large body of information is now available concerning vibrational spectra of ionic liquids made of many different combinations of anions and cations, but reviews on this literature are scarce. This review is an attempt at filling this gap. Some basic care needed while recording IR or Raman spectra of ionic liquids is explained. We have reviewed the conceptual basis of theoretical frameworks which have been used to interpret vibrational spectra of ionic liquids, helping the reader to distinguish the scope of application of different methods of calculation. Vibrational frequencies observed in IR and Raman spectra of ionic liquids based on different anions and cations are discussed and eventual disagreements between different sources are critically reviewed. The aim is that the reader can use this information while assigning vibrational spectra of an ionic liquid containing another particular combination of anions and cations. Different applications of IR and Raman spectroscopies are given for both pure ionic liquids and solutions. Further issues addressed in this review are the intermolecular vibrations that are more directly probed by the low-frequency range of IR and Raman spectra and the applications of vibrational spectroscopy in studying phase transitions of ionic liquids.
Vibration control of rotor shaft
NASA Technical Reports Server (NTRS)
Nonami, K.
1985-01-01
Suppression of flexural forced vibration or the self-excited vibration of a rotating shaft system not by passive elements but by active elements is described. The distinctive feature of this method is not to dissipate the vibration energy but to provide the force cancelling the vibration displacement and the vibration velocity through the bearing housing in rotation. Therefore the bearings of this kind are appropriately named Active Control Bearings. A simple rotor system having one disk at the center of the span on flexible supports is investigated in this paper. The actuators of the electrodynamic transducer are inserted in the sections of the bearing housing. First, applying the optimal regulator of optimal control theory, the flexural vibration control of the rotating shaft and the vibration control of support systems are performed by the optimal state feedback system using these actuators. Next, the quasi-modal control based on a modal analysis is applied to this rotor system. This quasi-modal control system is constructed by means of optimal velocity feedback loops. The differences between optimal control and quasi-modal control are discussed and their merits and demerits are made clear. Finally, the experiments are described concerning only the optimal regulator method.
Effect of Whole-Body Vibration on Speech. Part 2; Effect on Intelligibility
NASA Technical Reports Server (NTRS)
Begault, Durand R.
2011-01-01
The effect on speech intelligibility was measured for speech where talkers reading Diagnostic Rhyme Test material were exposed to 0.7 g whole body vibration to simulate space vehicle launch. Across all talkers, the effect of vibration was to degrade the percentage of correctly transcribed words from 83% to 74%. The magnitude of the effect of vibration on speech communication varies between individuals, for both talkers and listeners. A worst case scenario for intelligibility would be the most sensitive listener hearing the most sensitive talker; one participant s intelligibility was reduced by 26% (97% to 71%) for one of the talkers.
Translational vibrations between chains of hydrogen-bonded molecules in solid-state aspirin form I
NASA Astrophysics Data System (ADS)
Takahashi, Masae; Ishikawa, Yoichi
2013-06-01
We perform dispersion-corrected first-principles calculations, and far-infrared (terahertz) spectroscopic experiments at 4 K, to examine translational vibrations between chains of hydrogen-bonded molecules in solid-state aspirin form I. The calculated frequencies and relative intensities reproduce the observed spectrum to accuracy of 11 cm-1 or less. The stronger one of the two peaks assigned to the translational mode includes the stretching vibration of the weak hydrogen bond between the acetyl groups of a neighboring one-dimensional chain. The calculation of aspirin form II performed for comparison gives the stretching vibration of the weak hydrogen bond in one-dimensional chain.
... Jaw Surgery Download Download the ebook for further information Corrective jaw, or orthognathic surgery is performed by ... your treatment. Correction of Common Dentofacial Deformities The information provided here is not intended as a substitute ...
A new compound control method for sine-on-random mixed vibration test
NASA Astrophysics Data System (ADS)
Zhang, Buyun; Wang, Ruochen; Zeng, Falin
2017-09-01
Vibration environmental test (VET) is one of the important and effective methods to provide supports for the strength design, reliability and durability test of mechanical products. A new separation control strategy was proposed to apply in multiple-input multiple-output (MIMO) sine on random (SOR) mixed mode vibration test, which is the advanced and intensive test type of VET. As the key problem of the strategy, correlation integral method was applied to separate the mixed signals which included random and sinusoidal components. The feedback control formula of MIMO linear random vibration system was systematically deduced in frequency domain, and Jacobi control algorithm was proposed in view of the elements, such as self-spectrum, coherence, and phase of power spectral density (PSD) matrix. Based on the excessive correction of excitation in sine vibration test, compression factor was introduced to reduce the excitation correction, avoiding the destruction to vibration table or other devices. The two methods were synthesized to be applied in MIMO SOR vibration test system. In the final, verification test system with the vibration of a cantilever beam as the control object was established to verify the reliability and effectiveness of the methods proposed in the paper. The test results show that the exceeding values can be controlled in the tolerance range of references accurately, and the method can supply theory and application supports for mechanical engineering.
Shaping liquid drops by vibration
NASA Astrophysics Data System (ADS)
Pototsky, Andrey; Bestehorn, Michael
2018-02-01
We present and analyze a minimal hydrodynamic model of a vertically vibrated liquid drop that undergoes dynamic shape transformations. In agreement with experiments, a circular lens-shaped drop is unstable above a critical vibration amplitude, spontaneously elongating in the horizontal direction. Smaller drops elongate into localized states that oscillate with half of the vibration frequency. Larger drops evolve by transforming into a snake-like structure with gradually increasing length. The worm state is long-lasting with a potential to fragment into smaller drops.
Vibrations of Bladed Disk Assemblies
1991-03-29
34, Contract Report to Gas Trubines, General Motors Corp., Indianapolis (31 pages). 3 Afolabi, D., 1982, "Some Vibration Characteristics of an Aeroengine ...10. SOUACIOFPUNOiNG NO. Bolling Air Force Base PROGRAM 0mo.0aC-r TASK "o mW Washington, D.C. 20332-6448 1 LFAANT NO. No. N. O Vibrations of Bladed Disk...identfy by loC* n u r) 011LO . 0.ou* sum G. Blade vibrations , singularity theory, singular perturbation analysis, mode localization iS. AST.OACT
Power tiller: vibration magnitudes and intervention development for vibration reduction.
Chaturvedi, Varun; Kumar, Adarsh; Singh, J K
2012-09-01
The operators of power tiller are exposed to a high level of vibration originating from the dynamic interaction between the soil and the machine. The vibration from the power tiller is transmitted from the handle to hands, arms and shoulders. In the present study, experiments were conducted in three operational conditions i.e. transportation on farm roads, tilling with cultivator and rota-tilling with rota-vator. The highest vibration values were observed in x-direction in all the experiments. The maximum vibration rms values for x-direction were 5.96, 6.81 and 8.00 ms(-2) in tilling with cultivator, transportation and rota-tilling respectively. Three materials were used for intervention development to reduce vibration magnitude. The maximum reduction of 25.30, 31.21 and 30.45% in transportation; 23.50, 30.64 and 20.86% in tilling with cultivator and 24.03, 29.18 and 25.52% in rota-tilling were achieved with polyurethane (PU), rubber and combination of PU and rubber intervention. It was found that the maximum vibration reductions were achieved with the rubber in all three operational conditions. The average exposure time for occurrence of white finger syndrome increased by 28-50% with incorporation of intervention in different operations. Physiological and postural parameters also improved with incorporation of interventions. Copyright © 2012 Elsevier Ltd and The Ergonomics Society. All rights reserved.
Vibration dampener for dampening vibration of a tubular member
Obermeyer, F.D.; Middlebrooks, W.B.; DeMario, E.E.
1994-10-18
Vibration dampener for dampening vibration of a tubular member, such as an instrumentation tube of the type found in nuclear reactor pressure vessels is disclosed. The instrumentation tube is received in an outer tubular member, such as a guide thimble tube. The vibration dampener comprises an annular sleeve which is attachable to the inside surface of the guide thimble tube and which is sized to surround the instrumentation tube. Dimples are attached to the interior wall of the sleeve for radially supporting the instrumentation tube. The wall of the sleeve has a flexible spring member, which is formed from the wall, disposed opposite the dimples for biasing the instrumentation tube into abutment with the dimples. Flow-induced vibration of the instrumentation tube will cause it to move out of contact with the dimples and further engage the spring member, which will flex a predetermined amount and exert a reactive force against the instrumentation tube to restrain its movement. The amount by which the spring member will flex is less than the unrestrained amplitude of vibration of the instrumentation tube. The reactive force exerted against the instrumentation tube will be sufficient to return it to its original axial position within the thimble tube. In this manner, vibration of the instrumentation tube is dampened so that in-core physics measurements are accurate and so that the instrumentation tube will not wear against the inside surface of the guide thimble tube. 14 figs.
Vibration dampener for dampening vibration of a tubular member
Obermeyer, Franklin D.; Middlebrooks, Willis B.; DeMario, Edmund E.
1994-01-01
Vibration dampener for dampening vibration of a tubular member, such as an instrumentation tube of the type found in nuclear reactor pressure vessels. The instrumentation tube is received in an outer tubular member, such as a guide thimble tube. The vibration dampener comprises an annular sleeve which is attachable to the inside surface of the guide thimble tube and which is sized to surround the instrumentation tube. Dimples are attached to the interior wall of the sleeve for radially supporting the instrumentation tube. The wall of the sleeve has a flexible spring member, which is formed from the wall, disposed opposite the dimples for biasing the instrumentation tube into abutment with the dimples. Flow-induced vibration of the instrumentation tube will cause it to move out of contact with the dimples and further engage the spring member, which will flex a predetermined amount and exert a reactive force against the instrumentation tube to restrain its movement. The amount by which the spring member will flex is less than the unrestrained amplitude of vibration of the instrumentation tube. The reactive force exerted against the instrumentation tube will be sufficient to return it to its original axial position within the thimble tube. In this manner, vibration of the instrumentation tube is dampened so that in-core physics measurements are accurate and so that the instrumentation tube will not wear against the inside surface of the guide thimble tube.
Calibration of piezoelectric RL shunts with explicit residual mode correction
NASA Astrophysics Data System (ADS)
Høgsberg, Jan; Krenk, Steen
2017-01-01
Piezoelectric RL (resistive-inductive) shunts are passive resonant devices used for damping of dominant vibration modes of a flexible structure and their efficiency relies on the precise calibration of the shunt components. In the present paper improved calibration accuracy is attained by an extension of the local piezoelectric transducer displacement by two additional terms, representing the flexibility and inertia contributions from the residual vibration modes not directly addressed by the shunt damping. This results in an augmented dynamic model for the targeted resonant vibration mode, in which the residual contributions, represented by two correction factors, modify both the apparent transducer capacitance and the shunt circuit impedance. Explicit expressions for the correction of the shunt circuit inductance and resistance are presented in a form that is generally applicable to calibration formulae derived on the basis of an assumed single-mode structure, where modal interaction has been neglected. A design procedure is devised and subsequently verified by a numerical example, which demonstrates that effective mitigation can be obtained for an arbitrary vibration mode when the residual mode correction is included in the calibration of the RL shunt.
NASA Technical Reports Server (NTRS)
Silas, C.; Brindeu, L.; Grosanu, I.; Cioara, T.
1974-01-01
For compacting concretes in building, vibrating beams are used. The vibrations are generated by inertial vibrators, and the beam is normally displaced by the operator by means of a handle that is elastically fastened to the beam by means of rubber pads. Considered are vibrations transmitted to the operator, taking into account the beam's shock vibration motions. The steady state motion of a dynamic beam pattern is studied, and results of experimental tests with existing equipment are presented.
49 CFR 178.819 - Vibration test.
Code of Federal Regulations, 2014 CFR
2014-10-01
... 49 Transportation 3 2014-10-01 2014-10-01 false Vibration test. 178.819 Section 178.819... Vibration test. (a) General. The vibration test must be conducted for the qualification of all rigid IBC design types. Flexible IBC design types must be capable of withstanding the vibration test. (b) Test...
49 CFR 178.819 - Vibration test.
Code of Federal Regulations, 2010 CFR
2010-10-01
... 49 Transportation 2 2010-10-01 2010-10-01 false Vibration test. 178.819 Section 178.819... Testing of IBCs § 178.819 Vibration test. (a) General. The vibration test must be conducted for the... vibration test. (b) Test method. (1) A sample IBC, selected at random, must be filled and closed as for...
14 CFR 33.83 - Vibration test.
Code of Federal Regulations, 2012 CFR
2012-01-01
... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Vibration test. 33.83 Section 33.83... STANDARDS: AIRCRAFT ENGINES Block Tests; Turbine Aircraft Engines § 33.83 Vibration test. (a) Each engine must undergo vibration surveys to establish that the vibration characteristics of those components that...
49 CFR 178.819 - Vibration test.
Code of Federal Regulations, 2012 CFR
2012-10-01
... 49 Transportation 3 2012-10-01 2012-10-01 false Vibration test. 178.819 Section 178.819... Vibration test. (a) General. The vibration test must be conducted for the qualification of all rigid IBC design types. Flexible IBC design types must be capable of withstanding the vibration test. (b) Test...
49 CFR 178.819 - Vibration test.
Code of Federal Regulations, 2011 CFR
2011-10-01
... 49 Transportation 3 2011-10-01 2011-10-01 false Vibration test. 178.819 Section 178.819... Vibration test. (a) General. The vibration test must be conducted for the qualification of all rigid IBC design types. Flexible IBC design types must be capable of withstanding the vibration test. (b) Test...
49 CFR 178.819 - Vibration test.
Code of Federal Regulations, 2013 CFR
2013-10-01
... 49 Transportation 3 2013-10-01 2013-10-01 false Vibration test. 178.819 Section 178.819... Vibration test. (a) General. The vibration test must be conducted for the qualification of all rigid IBC design types. Flexible IBC design types must be capable of withstanding the vibration test. (b) Test...
Not Available
1992-07-01
The glossary of technical terms was prepared to facilitate the use of the Corrective Action Plan (CAP) issued by OSWER on November 14, 1986. The CAP presents model scopes of work for all phases of a corrective action program, including the RCRA Facility Investigation (RFI), Corrective Measures Study (CMS), Corrective Measures Implementation (CMI), and interim measures. The Corrective Action Glossary includes brief definitions of the technical terms used in the CAP and explains how they are used. In addition, expected ranges (where applicable) are provided. Parameters or terms not discussed in the CAP, but commonly associated with site investigations ormore » remediations are also included.« less
Acceptable vibrations on green concrete.
DOT National Transportation Integrated Search
2013-12-01
Vibrations are potentially harmful to green concrete in shaft foundations, and many states, including : Mississippi, cautiously established limits in terms of compressive strength, distance boundary, and : wait time to protect early age concrete. But...
On readout of vibrational qubits using quantum beats
Shyshlov, Dmytro; Babikov, Dmitri, E-mail: Dmitri.Babikov@mu.edu; Berrios, Eduardo
2014-12-14
Readout of the final states of qubits is a crucial step towards implementing quantum computation in experiment. Although not scalable to large numbers of qubits per molecule, computational studies show that molecular vibrations could provide a significant (factor 2–5 in the literature) increase in the number of qubits compared to two-level systems. In this theoretical work, we explore the process of readout from vibrational qubits in thiophosgene molecule, SCCl{sub 2}, using quantum beat oscillations. The quantum beats are measured by first exciting the superposition of the qubit-encoding vibrational states to the electronically excited readout state with variable time-delay pulses. Themore » resulting oscillation of population of the readout state is then detected as a function of time delay. In principle, fitting the quantum beat signal by an analytical expression should allow extracting the values of probability amplitudes and the relative phases of the vibrational qubit states. However, we found that if this procedure is implemented using the standard analytic expression for quantum beats, a non-negligible phase error is obtained. We discuss the origin and properties of this phase error, and propose a new analytical expression to correct the phase error. The corrected expression fits the quantum beat signal very accurately, which may permit reading out the final state of vibrational qubits in experiments by combining the analytic fitting expression with numerical modelling of the readout process. The new expression is also useful as a simple model for fitting any quantum beat experiments where more accurate phase information is desired.« less
Cidem, Muharrem; Karacan, İlhan; Diraçoğlu, Demirhan; Yıldız, Aysel; Küçük, Suat Hayri; Uludağ, Murat; Gün, Kerem; Özkaya, Murat; Karamehmetoğlu, Şafak Sahir
2014-01-01
Background: Whole-body vibration (WBV) induces reflex muscle activity and leads to increased muscle strength. However, little is known about the physiological mechanisms underlying the effects of whole-body vibration on muscular performance. Tonic vibration reflex is the most commonly cited mechanism to explain the effects of whole-body vibration on muscular performance, although there is no conclusive evidence that tonic vibration reflex occurs. The bone myoregulation reflex is another neurological mechanism used to explain the effects of vibration on muscular performance. Bone myoregulation reflex is defined as a reflex mechanism in which osteocytes exposed to cyclic mechanical loading induce muscle activity. Aims: The aim of this study was to assess whether bone tissue affected vibration-induced reflex muscle activity and vibration-induced muscle strength gain. Study Design: A prospective, randomised, controlled, double-blind, parallel-group clinical trial. Methods: Thirty-four participants were randomised into two groups. High-magnitude whole-body vibration was applied in the exercise group, whereas low-magnitude whole-body vibration exercises were applied in the control group throughout 20 sessions. Hip bone mineral density, isokinetic muscle strength, and plasma sclerostin levels were measured. The surface electromyography data were processed to obtain the Root Mean Squares, which were normalised by maximal voluntarily contraction. Results: In the exercise group, muscle strength increased in the right and left knee flexors (23.9%, p=0.004 and 27.5%, p<0.0001, respectively). However, no significant change was observed in the knee extensor muscle strength. There was no significant change in the knee muscle strength in the control group. The vibration-induced corrected Root Mean Squares of the semitendinosus muscle was decreased by 2.8 times (p=0.005) in the exercise group, whereas there was no change in the control group. Sclerostin index was decreased by 15
Cidem, Muharrem; Karacan, Ilhan; Diraçoğlu, Demirhan; Yıldız, Aysel; Küçük, Suat Hayri; Uludağ, Murat; Gün, Kerem; Ozkaya, Murat; Karamehmetoğlu, Safak Sahir
2014-03-01
Whole-body vibration (WBV) induces reflex muscle activity and leads to increased muscle strength. However, little is known about the physiological mechanisms underlying the effects of whole-body vibration on muscular performance. Tonic vibration reflex is the most commonly cited mechanism to explain the effects of whole-body vibration on muscular performance, although there is no conclusive evidence that tonic vibration reflex occurs. The bone myoregulation reflex is another neurological mechanism used to explain the effects of vibration on muscular performance. Bone myoregulation reflex is defined as a reflex mechanism in which osteocytes exposed to cyclic mechanical loading induce muscle activity. The aim of this study was to assess whether bone tissue affected vibration-induced reflex muscle activity and vibration-induced muscle strength gain. A prospective, randomised, controlled, double-blind, parallel-group clinical trial. Thirty-four participants were randomised into two groups. High-magnitude whole-body vibration was applied in the exercise group, whereas low-magnitude whole-body vibration exercises were applied in the control group throughout 20 sessions. Hip bone mineral density, isokinetic muscle strength, and plasma sclerostin levels were measured. The surface electromyography data were processed to obtain the Root Mean Squares, which were normalised by maximal voluntarily contraction. In the exercise group, muscle strength increased in the right and left knee flexors (23.9%, p=0.004 and 27.5%, p<0.0001, respectively). However, no significant change was observed in the knee extensor muscle strength. There was no significant change in the knee muscle strength in the control group. The vibration-induced corrected Root Mean Squares of the semitendinosus muscle was decreased by 2.8 times (p=0.005) in the exercise group, whereas there was no change in the control group. Sclerostin index was decreased by 15.2% (p=0.031) in the exercise group and increased by
Vibration measurements of automobile catalyst
NASA Astrophysics Data System (ADS)
Aatola, Seppo
1994-09-01
Vibration of catalyst cell, which is inside the casing of the catalyst, is difficult to measure with usual measuring instrumentation. When catalyst is in use, there is hot exhaust gas flow though the catalyst cell and temperature of the cell is approximately +900 degree(s)C. Therefore non-contact Laser- Doppler-Vibrometer was used to measure vibration velocity of the catalyst cell. The laser beam was directed towards the cell through pipe which was put through and welded to the casing of the catalyst. The outer end of the pipe was screw down with a tempered class to prevent exhaust gas flow from the pipe. The inner end of the pipe was open and few millimeters away from the measuring point. Catalyst was attached to the engine with two ways, rigidly close to the engine and flexible under the engine. The engine was running in test bench under controlled conditions. Vibration measurements were carried out during constant running speeds of the engine. Vibration signals were captured and analyzed with FFT-analyzer. Vibration of catalyst cell was strongest at running speed of 5000 rpm, from 10 to 20 g (1 g equals 9.81 ms-2), when catalyst was attached rigidly close to the engine. At running speed of 3000 rpm, vibration of catalyst cell was from 2 to 3 g in most cases, when catalyst was attached either rigidly or flexible to the engine. It is estimated that in real life, i.e. when catalyst is attached to car with same engine, vibration of catalyst cell at running speed of 5000 rpm is somewhere between 1 and 10 g. At running speed of 3000 rpm, which may be more often used when driving car (car speed approximately 100 kmh-1), vibration of catalyst cell is probably few g's.
Vibrational Spectral Studies of Gemfibrozil
NASA Astrophysics Data System (ADS)
Benitta, T. Asenath; Balendiran, G. K.; James, C.
2008-11-01
The Fourier Transform Raman and infrared spectra of the crystallized drug molecule 5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid (Gemfibrozil) have been recorded and analyzed. Quantum chemical computational methods have been employed using Gaussian 03 software package based on Hartree Fock method for theoretically modeling the grown molecule. The optimized geometry and vibrational frequencies have been predicted. Observed vibrational modes have been assigned with the aid of normal coordinate analysis.
Smart accelerometer. [vibration damage detection
NASA Technical Reports Server (NTRS)
Bozeman, Richard J., Jr. (Inventor)
1994-01-01
The invention discloses methods and apparatus for detecting vibrations from machines which indicate an impending malfunction for the purpose of preventing additional damage and allowing for an orderly shutdown or a change in mode of operation. The method and apparatus is especially suited for reliable operation in providing thruster control data concerning unstable vibration in an electrical environment which is typically noisy and in which unrecognized ground loops may exist.
Some problems of control of dynamical conditions of technological vibrating machines
NASA Astrophysics Data System (ADS)
Kuznetsov, N. K.; Lapshin, V. L.; Eliseev, A. V.
2017-10-01
The possibility of control of dynamical condition of the shakers that are designed for vibration treatment of parts interacting with granular media is discussed. The aim of this article is to develop the methodological basis of technology of creation of mathematical models of shake tables and the development of principles of formation of vibrational fields, estimation of their parameters and control of the structure vibration fields. Approaches to build mathematical models that take into account unilateral constraints, the relationships between elements, with the vibrating surface are developed. Methods intended to construct mathematical model of linear mechanical oscillation systems are used. Small oscillations about the position of static equilibrium are performed. The original method of correction of vibration fields by introduction of the oscillating system additional ties to the structure are proposed. Additional ties are implemented in the form of a mass-inertial device for changing the inertial parameters of the working body of the vibration table by moving the mass-inertial elements. The concept of monitoring the dynamic state of the vibration table based on the original measuring devices is proposed. Estimation for possible changes in dynamic properties is produced. The article is of interest for specialists in the field of creation of vibration technology machines and equipment.
Effect of Vibration on Pain Response to Heel Lance: A Pilot Randomized Control Trial.
McGinnis, Kate; Murray, Eileen; Cherven, Brooke; McCracken, Courtney; Travers, Curtis
2016-12-01
Applied mechanical vibration in pediatric and adult populations has been shown to be an effective analgesic for acute and chronic pain, including needle pain. Studies among the neonatal population are lacking. According to the Gate Control Theory, it is expected that applied mechanical vibration will have a summative effect with standard nonpharmacologic pain control strategies, reducing behavioral and physiologic pain responses to heel lancing. To determine the safety and efficacy of mechanical vibration for relief of heel lance pain among neonates. In this parallel design randomized controlled trial, eligible enrolled term or term-corrected neonates (n = 56) in a level IV neonatal intensive care unit were randomized to receive either sucrose and swaddling or sucrose, swaddling, and vibration for heel lance analgesia. Vibration was applied using a handheld battery-powered vibrator (Norco MiniVibrator, Hz = 92) to the lateral aspect of the lower leg along the sural dermatome throughout the heel lance procedure. Neonatal Pain, Agitation, and Sedation Scale (N-PASS) scores, heart rate, and oxygen saturations were collected at defined intervals surrounding heel lancing. Infants in the vibration group (n = 30) had significantly lower N-PASS scores and more stable heart rates during heel stick (P = .006, P = .037) and 2 minutes after heel lance (P = .002, P = .016) than those in the nonvibration group. There were no adverse behavioral or physiologic responses to applied vibration in the sample. Applied mechanical vibration is a safe and effective method for managing heel lance pain. This pilot study suggests that mechanical vibration warrants further exploration as a nonpharmacologic pain management tool among the neonatal population.
2013-11-14
Vibration testing of the horizontal axis of the spacecraft. Credit: NASA/Goddard The Global Precipitation Measurement (GPM) mission is an international partnership co-led by NASA and the Japan Aerospace Exploration Agency (JAXA) that will provide next-generation global observations of precipitation from space. GPM will study global rain, snow and ice to better understand our climate, weather, and hydrometeorological processes. As of Novermber 2013 the GPM Core Observatory is in the final stages of testing at NASA Goddard Space Flight Center. The satellite will be flown to Japan in the fall of 2013 and launched into orbit on an HII-A rocket in early 2014. For more on the GPM mission, visit gpm.gsfc.nasa.gov/. NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram
Airfoil Vibration Dampers program
NASA Technical Reports Server (NTRS)
Cook, Robert M.
1991-01-01
The Airfoil Vibration Damper program has consisted of an analysis phase and a testing phase. During the analysis phase, a state-of-the-art computer code was developed, which can be used to guide designers in the placement and sizing of friction dampers. The use of this computer code was demonstrated by performing representative analyses on turbine blades from the High Pressure Oxidizer Turbopump (HPOTP) and High Pressure Fuel Turbopump (HPFTP) of the Space Shuttle Main Engine (SSME). The testing phase of the program consisted of performing friction damping tests on two different cantilever beams. Data from these tests provided an empirical check on the accuracy of the computer code developed in the analysis phase. Results of the analysis and testing showed that the computer code can accurately predict the performance of friction dampers. In addition, a valuable set of friction damping data was generated, which can be used to aid in the design of friction dampers, as well as provide benchmark test cases for future code developers.
Correcting Geophysical Fallacies
NASA Astrophysics Data System (ADS)
Barbat, W. N.
2013-12-01
The escape velocity from a Big Bang explosion would greatly exceed the speed of light, which is impossible; William Tifft's (1976-77) observations of a common stepwise decline in photon size of 72.5 km/sec replaces a universal Doppler Red Shift, so the universe is not expanding; and the idea that all the mass and energy of the universe were instantly created is unscientific. Joseph Larmor's 1897 equation relates the radiation of photons from a moving electric charge to the square of a change of the acceleration of the charge. Hence the continual centripetal acceleration of orbiting electrons continually radiates low grade photon heat (Zero Point Energy). Shpenkov and Kreidik (2008) found that the heat source which sustains the Cosmic Background Energy at the measured peak blackbody temperature of 2.725+/-0.002K must be due to radiation from the orbital electron motion of hydrogen at its fundamental period, which they calculated to be 2.7289K. Cosmic Background Energy is not left over from a Big Bang 13 billion years ago. Of course, if nature can create energy, then it is reasonable to expect that man can create energy too. Importantly, the creation of photons by orbiting electrons and spinning protons also creates mass. Isaac Newton showed in Book 3 of Opticks that light rays bend as they pass closely over a sharp knife edge, and that the closer the ray is to the knife edge, the more the light path bends. Newton thus showed that corpuscles of light (photons) obey the law of gravitation, so photons possess mass. Photon creation inside stars builds up intense heat and pressure, splitting photons into electrons and positrons. A large positron and photon can apparently combine into a three lump particle with a charge of plus one, making a new proton. Hollow electrons can apparently surround a proton, making a neutron for fission. A small spun-off star advances up the main sequence until a buildup of iron cools and shrinks the core from its hydrogen envelope, leaving a
Influence of support conditions on vertical whole-body vibration of the seated human body.
M-Pranesh, Anand; Rakheja, Subhash; Demont, Richard
2010-01-01
The vibration transmission to the lumbar and thoracic segments of seated human subjects exposed to whole body vibration of a vehicular nature have been mostly characterised without the back and hand supports, which is not representative of general driving conditions. This non-invasive experimental study investigated the transmission of vertical seat vibration to selected vertebrae and the head along the vertical and fore-aft axes of twelve male human subjects seated on a rigid seat and exposed to random vertical excitation in the 0.5-20 Hz range. The measurements were performed under four different sitting postures involving combinations of back support conditions and hands positions, and three difference magnitudes of vertical vibration (0.25, 0.5 and 1.0 m/s(2) rms acceleration). The results showed significant errors induced by sensor misalignment and skin effects, which required appropriate correction methodologies. The averaged corrected responses revealed that the back support attenuates vibration in the vertical axis to all the body locations while increasing the fore-aft transmissibility at the C7 and T5. The hands position generally has a relatively smaller effect, showing some influences on the C7 and L5 vibration. Sitting without a back support resulted in very low magnitude fore-aft vibration at T5, which was substantially higher with a back support, suggestive of a probable change in the body's vibration mode. The effect of back support was observed to be very small on the horizontal vibration of the lower thoracic and lumbar regions. The results suggest that distinctly different target body-segment biodynamic functions need to be defined for different support conditions in order to represent the unique contribution of the specific support condition. These datasets may then be useful for the development of biodynamic models.
Letter from Jeff Rush requesting rescinding and correction online and printed information regarding alleged greenhouse gas emissions reductions resulting from beneficial use of coal combustion waste products.
Vibrationally averaged dipole moments of methane and benzene isotopologues.
Arapiraca, A F C; Mohallem, J R
2016-04-14
DFT-B3LYP post-Born-Oppenheimer (finite-nuclear-mass-correction (FNMC)) calculations of vibrationally averaged isotopic dipole moments of methane and benzene, which compare well with experimental values, are reported. For methane, in addition to the principal vibrational contribution to the molecular asymmetry, FNMC accounts for the surprisingly large Born-Oppenheimer error of about 34% to the dipole moments. This unexpected result is explained in terms of concurrent electronic and vibrational contributions. The calculated dipole moment of C6H3D3 is about twice as large as the measured dipole moment of C6H5D. Computational progress is advanced concerning applications to larger systems and the choice of appropriate basis sets. The simpler procedure of performing vibrational averaging on the Born-Oppenheimer level and then adding the FNMC contribution evaluated at the equilibrium distance is shown to be appropriate. Also, the basis set choice is made by heuristic analysis of the physical behavior of the systems, instead of by comparison with experiments.
Vibrationally averaged dipole moments of methane and benzene isotopologues
Arapiraca, A. F. C.; Centro Federal de Educação Tecnológica de Minas Gerais, Coordenação de Ciências, CEFET-MG, Campus I, 30.421-169 Belo Horizonte, MG; Mohallem, J. R., E-mail: rachid@fisica.ufmg.br
DFT-B3LYP post-Born-Oppenheimer (finite-nuclear-mass-correction (FNMC)) calculations of vibrationally averaged isotopic dipole moments of methane and benzene, which compare well with experimental values, are reported. For methane, in addition to the principal vibrational contribution to the molecular asymmetry, FNMC accounts for the surprisingly large Born-Oppenheimer error of about 34% to the dipole moments. This unexpected result is explained in terms of concurrent electronic and vibrational contributions. The calculated dipole moment of C{sub 6}H{sub 3}D{sub 3} is about twice as large as the measured dipole moment of C{sub 6}H{sub 5}D. Computational progress is advanced concerning applications to larger systems and the choice ofmore » appropriate basis sets. The simpler procedure of performing vibrational averaging on the Born-Oppenheimer level and then adding the FNMC contribution evaluated at the equilibrium distance is shown to be appropriate. Also, the basis set choice is made by heuristic analysis of the physical behavior of the systems, instead of by comparison with experiments.« less
Vibration response of buildings to rail transit groundborne vibration
NASA Astrophysics Data System (ADS)
Phillips, James
2005-09-01
The FTA guidelines for detailed analysis and prediction of groundborne noise and vibration generated by rail transit systems are based on established empirical methods. The procedures for the measurement of vehicle/track system source strength and the attenuation of vibration as it propagates with distance through the ground are generally accepted practice at this time. However, characterization of the building response is open to debate, due in part to the wide array of building construction encountered adjacent to transit systems. Numerous measurements that have been obtained in a variety of building construction types are presented and preliminary conclusions are drawn regarding the responses of several common building types to rail transit groundborne vibration.
Convolutional neural networks for vibrational spectroscopic data analysis.
Acquarelli, Jacopo; van Laarhoven, Twan; Gerretzen, Jan; Tran, Thanh N; Buydens, Lutgarde M C; Marchiori, Elena
2017-02-15
In this work we show that convolutional neural networks (CNNs) can be efficiently used to classify vibrational spectroscopic data and identify important spectral regions. CNNs are the current state-of-the-art in image classification and speech recognition and can learn interpretable representations of the data. These characteristics make CNNs a good candidate for reducing the need for preprocessing and for highlighting important spectral regions, both of which are crucial steps in the analysis of vibrational spectroscopic data. Chemometric analysis of vibrational spectroscopic data often relies on preprocessing methods involving baseline correction, scatter correction and noise removal, which are applied to the spectra prior to model building. Preprocessing is a critical step because even in simple problems using 'reasonable' preprocessing methods may decrease the performance of the final model. We develop a new CNN based method and provide an accompanying publicly available software. It is based on a simple CNN architecture with a single convolutional layer (a so-called shallow CNN). Our method outperforms standard classification algorithms used in chemometrics (e.g. PLS) in terms of accuracy when applied to non-preprocessed test data (86% average accuracy compared to the 62% achieved by PLS), and it achieves better performance even on preprocessed test data (96% average accuracy compared to the 89% achieved by PLS). For interpretability purposes, our method includes a procedure for finding important spectral regions, thereby facilitating qualitative interpretation of results. Copyright © 2016 Elsevier B.V. All rights reserved.
Nonharmonicity in vibrated granular solids
NASA Astrophysics Data System (ADS)
Schreck, Carl
2012-02-01
We have shown that granular packings composed of frictionless particles with repulsive contact interactions are strongly nonharmonic. When infinitesimally perturbed along linear response eigenmodes of the static packing, energy leaks from the original mode of vibration to a continuum of frequencies due solely to contact breaking even when the system is under significant compression. Further, vibrated packings possess well-defined equilibrium positions that are different than those of the unperturbed packing. The vibrational density of states obtained using the displacement matrix and velocity autocorrelation function methods exhibit an increase in the number of low-frequency modes over that obtained from linear response of the static packing. The form of the density of states in vibrated granular packings is reminiscent of the low-frequency behavior of the vibrational density of states in fluid systems. We also investigate the effects of inter-particle friction, dissipation, particle shape, and degree of positional order on the density of states and thermal transport properties in driven granular packings.
Vibration arthrometry: a critical review.
Abbott, Steven C; Cole, Michael D
2013-01-01
The clinical value of sounds and vibrations produced by biological joints in motion has been studied extensively since 1902, aimed at developing a technology to aid the interpretation of recorded joint vibration signals. Such technology would have clear advantages to current medical imaging systems, e.g. MRI, in speed, cost, and non-invasiveness. However, it has yet to achieve routine clinical use. This review aims to provide a balanced analysis of past and present attempts to progress vibration arthrometry. The literature reveals significant barriers to successful implementation of vibration arthrometry. From a technical standpoint, accounting for the intense variability within recorded signals caused by shifting characteristics of contacting joint surfaces and forces during motion is the primary issue. Additionally, understandable scepticism in the clinical community as to the reliability of vibration arthrometry represents a significant barrier to adoption. In conclusion, until the variability issue is shown to be adequately dealt with, and clear transparent evidence of clinical usefulness to orthopedic medicine demonstrated, it will be difficult to move the field forward. Future work should lead toward proving value to clinicians, and be transparent about how the variability issue has been resolved.
Modular Wideband Active Vibration Absorber
NASA Technical Reports Server (NTRS)
Zewari, Wahid; Lee, Kenneth Y.; Smith, David R.
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.
Analysis of railway track vibration
NASA Astrophysics Data System (ADS)
Ono, K.; Yamada, M.
1989-04-01
Analytical formulae are developed for estimating the amplitudes of the vibrations generated in railway tracks by wheels and rail discontinuities or by unevennesses on their surfaces. Rails are assumed to be supported elastically on concrete sleepers by resilient rail-pads inserted between them. The elasticities and the masses of track materials and those of the roadbed are also taken into consideration. It is shown that after an impulse is applied to the track, not only is a vibration with a comparatively low natural frequency generated, but also traveling waves with higher frequencies, and the latter propagate lengthwise along the track or downwards into the roadbed. With the assumption that the power spectral density of the unevennesses on the rail surface is in proportion to the third power of the wavelength, or to (wavenumber) -3, the amplitudes of the vibrations in railway tracks supported by rail-pads and roadbeds with various magnitudes of elastic constants are analyzed and the values for each one-third octave band are estimated. The velocity of the vibration takes on a maximum value for the band with a center frequency of 63 Hz, which corresponds to the resonant frequency of the system composed of the wheel and the track. As the frequency increases beyond this value, the velocity of the vibration takes on a second maximum value at a frequency of about 1000 Hz. These estimates are compared with the data obtained from field measurements and reasonably good correlations are found between them.
Anharmonic vibrational spectra and mode-mode couplings analysis of 2-aminopyridine
NASA Astrophysics Data System (ADS)
Faizan, Mohd; Alam, Mohammad Jane; Afroz, Ziya; Bhat, Sheeraz Ahmad; Ahmad, Shabbir
2018-01-01
Vibrational spectra of 2-aminopyridine (2AP) have been analyzed using the vibrational self-consistence field theory (VSCF), correlated corrected vibrational self-consistence field theory (CC-VSCF) and vibrational perturbation theory (VPT2) at B3LYP/6-311G(d,p) framework. The mode-mode couplings affect the vibrational frequencies and intensities. The coupling integrals between pairs of normal modes have been obtained on the basis of quartic force field (2MR-QFF) approximation. The overtone and combination bands are also assigned in the FTIR spectrum with the help of anharmonic calculation at VPT2 method. A statistical analysis of deviations shows that estimated anharmonic frequencies are closer to the experiment over harmonic approximation. Furthermore, the anharmonic correction has also been carried out for the dimeric structure of 2AP. The fundamental vibration bands have been assigned on the basis of potential energy distribution (PED) and visual look over the animated modes. Other important molecular properties such as frontier molecular orbitals and molecular electrostatics potential mapping have also been analyzed.
Publisher Correction: Predicting unpredictability
NASA Astrophysics Data System (ADS)
Davis, Steven J.
2018-06-01
In this News & Views article originally published, the wrong graph was used for panel b of Fig. 1, and the numbers on the y axes of panels a and c were incorrect; the original and corrected Fig. 1 is shown below. This has now been corrected in all versions of the News & Views.
Teaching in Correctional Settings
ERIC Educational Resources Information Center
de Koning, Mireille; Striedinger, Angelika
2009-01-01
In early 2009, Education International conducted a study amongst its member organisations on education in correctional settings in their respective countries. Findings reveal that education in correctional settings and the conditions of teachers working in them vary greatly between regions. Generally speaking, in most regions, but specifically in…
Vibration-based photoacoustic tomography
NASA Astrophysics Data System (ADS)
Li, Rui; Rajian, Justin R.; Wang, Pu; Slipchenko, Mikhail N.; Cheng, Ji-Xin
2013-03-01
Photoacoustic imaging employing molecular overtone vibration as contrast mechanism opens a new avenue for deep tissue imaging with chemical bond selectivity. Here, we demonstrate vibration-based photoacoustic tomography with an imaging depth on the centimeter scale. To provide sufficient pulse energy at the overtone transition wavelengths, we constructed a compact, barium nitrite crystal-based Raman laser for excitation of 2nd overtone of C-H bond. Using a 5-ns Nd:YAG laser as pumping source, up to 105 mJ pulse energy at 1197 nm was generated. Vibrational photoacoutic spectroscopy and tomography of phantom (polyethylene tube) immersed in whole milk was performed. With a pulse energy of 47 mJ on the milk surface, up to 2.5 cm penetration depth was reached with a signal-to-noise ratio of 12.
Sebastianelli, Francesco; Xu, Minzhong; Bacić, Zlatko
2008-12-28
We report diffusion Monte Carlo (DMC) calculations of the quantum translation-rotation (T-R) dynamics of one to five para-H(2) (p-H(2)) and ortho-D(2) (o-D(2)) molecules inside the large hexakaidecahedral (5(12)6(4)) cage of the structure II clathrate hydrate, which was taken to be rigid. These calculations provide a quantitative description of the size evolution of the ground-state properties, energetics, and the vibrationally averaged geometries, of small (p-H(2))(n) and (o-D(2))(n) clusters, n=1-5, in nanoconfinement. The zero-point energy (ZPE) of the T-R motions rises steeply with the cluster size, reaching 74% of the potential well depth for the caged (p-H(2))(4). At low temperatures, the rapid increase of the cluster ZPE as a function of n is the main factor that limits the occupancy of the large cage to at most four H(2) or D(2) molecules, in agreement with experiments. Our DMC results concerning the vibrationally averaged spatial distribution of four D(2) molecules, their mean distance from the cage center, the D(2)-D(2) separation, and the specific orientation and localization of the tetrahedral (D(2))(4) cluster relative to the framework of the large cage, agree very well with the low-temperature neutron diffraction experiments involving the large cage with the quadruple D(2) occupancy.
NASA Astrophysics Data System (ADS)
Sebastianelli, Francesco; Xu, Minzhong; Bačić, Zlatko
2008-12-01
We report diffusion Monte Carlo (DMC) calculations of the quantum translation-rotation (T-R) dynamics of one to five para-H2 (p-H2) and ortho-D2 (o-D2) molecules inside the large hexakaidecahedral (51264) cage of the structure II clathrate hydrate, which was taken to be rigid. These calculations provide a quantitative description of the size evolution of the ground-state properties, energetics, and the vibrationally averaged geometries, of small (p-H2)n and (o-D2)n clusters, n=1-5, in nanoconfinement. The zero-point energy (ZPE) of the T-R motions rises steeply with the cluster size, reaching 74% of the potential well depth for the caged (p-H2)4. At low temperatures, the rapid increase of the cluster ZPE as a function of n is the main factor that limits the occupancy of the large cage to at most four H2 or D2 molecules, in agreement with experiments. Our DMC results concerning the vibrationally averaged spatial distribution of four D2 molecules, their mean distance from the cage center, the D2-D2 separation, and the specific orientation and localization of the tetrahedral (D2)4 cluster relative to the framework of the large cage, agree very well with the low-temperature neutron diffraction experiments involving the large cage with the quadruple D2 occupancy.
Homayoon, Zahra
2014-09-28
A new, full (nine)-dimensional potential energy surface and dipole moment surface to describe the NO(+)(H2O) cluster is reported. The PES is based on fitting of roughly 32,000 CCSD(T)-F12/aug-cc-pVTZ electronic energies. The surface is a linear least-squares fit using a permutationally invariant basis with Morse-type variables. The PES is used in a Diffusion Monte Carlo study of the zero-point energy and wavefunction of the NO(+)(H2O) and NO(+)(D2O) complexes. Using the calculated ZPE the dissociation energies of the clusters are reported. Vibrational configuration interaction calculations of NO(+)(H2O) and NO(+)(D2O) using the MULTIMODE program are performed. The fundamental, a number of overtone, and combination states of the clusters are reported. The IR spectrum of the NO(+)(H2O) cluster is calculated using 4, 5, 7, and 8 modes VSCF/CI calculations. The anharmonic, coupled vibrational calculations, and IR spectrum show very good agreement with experiment. Mode coupling of the water "antisymmetric" stretching mode with the low-frequency intermolecular modes results in intensity borrowing.
NASA Astrophysics Data System (ADS)
Homayoon, Zahra
2014-09-01
A new, full (nine)-dimensional potential energy surface and dipole moment surface to describe the NO+(H2O) cluster is reported. The PES is based on fitting of roughly 32 000 CCSD(T)-F12/aug-cc-pVTZ electronic energies. The surface is a linear least-squares fit using a permutationally invariant basis with Morse-type variables. The PES is used in a Diffusion Monte Carlo study of the zero-point energy and wavefunction of the NO+(H2O) and NO+(D2O) complexes. Using the calculated ZPE the dissociation energies of the clusters are reported. Vibrational configuration interaction calculations of NO+(H2O) and NO+(D2O) using the MULTIMODE program are performed. The fundamental, a number of overtone, and combination states of the clusters are reported. The IR spectrum of the NO+(H2O) cluster is calculated using 4, 5, 7, and 8 modes VSCF/CI calculations. The anharmonic, coupled vibrational calculations, and IR spectrum show very good agreement with experiment. Mode coupling of the water "antisymmetric" stretching mode with the low-frequency intermolecular modes results in intensity borrowing.
NASA Astrophysics Data System (ADS)
Rai, Prashant; Sargsyan, Khachik; Najm, Habib; Hermes, Matthew R.; Hirata, So
2017-09-01
A new method is proposed for a fast evaluation of high-dimensional integrals of potential energy surfaces (PES) that arise in many areas of quantum dynamics. It decomposes a PES into a canonical low-rank tensor format, reducing its integral into a relatively short sum of products of low-dimensional integrals. The decomposition is achieved by the alternating least squares (ALS) algorithm, requiring only a small number of single-point energy evaluations. Therefore, it eradicates a force-constant evaluation as the hotspot of many quantum dynamics simulations and also possibly lifts the curse of dimensionality. This general method is applied to the anharmonic vibrational zero-point and transition energy calculations of molecules using the second-order diagrammatic vibrational many-body Green's function (XVH2) theory with a harmonic-approximation reference. In this application, high dimensional PES and Green's functions are both subjected to a low-rank decomposition. Evaluating the molecular integrals over a low-rank PES and Green's functions as sums of low-dimensional integrals using the Gauss-Hermite quadrature, this canonical-tensor-decomposition-based XVH2 (CT-XVH2) achieves an accuracy of 0.1 cm-1 or higher and nearly an order of magnitude speedup as compared with the original algorithm using force constants for water and formaldehyde.
Fundamentals of Microgravity Vibration Isolation
NASA Technical Reports Server (NTRS)
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. This presentation provides a tutorial discussion of microgravity vibration isolation technology with the objective of elaborating on the relative merits of passive and active isolation approaches. The concepts of control bandwidth, isolation performance, and robustness will be addressed with illustrative examples. Concluding the presentation will be a suggested roadmap for future technology development activities to enhance the acceleration environment for microgravity science experiments.
Fundamental Vibration of Molecular Hydrogen
NASA Astrophysics Data System (ADS)
Dickenson, G. D.; Niu, M. L.; Salumbides, E. J.; Komasa, J.; Eikema, K. S. E.; Pachucki, K.; Ubachs, W.
2013-05-01
The fundamental ground tone vibration of H2, HD, and D2 is determined to an accuracy of 2×10-4cm-1 from Doppler-free laser spectroscopy in the collisionless environment of a molecular beam. This rotationless vibrational splitting is derived from the combination difference between electronic excitation from the X1Σg+, v=0, and v=1 levels to a common EF1Σg+, v=0 level. Agreement within 1σ between the experimental result and a full ab initio calculation provides a stringent test of quantum electrodynamics in a chemically bound system.
Innovative Techniques Simplify Vibration Analysis
NASA Technical Reports Server (NTRS)
2010-01-01
In the early years of development, Marshall Space Flight Center engineers encountered challenges related to components in the space shuttle main engine. To assess the problems, they evaluated the effects of vibration and oscillation. To enhance the method of vibration signal analysis, Marshall awarded Small Business Innovation Research (SBIR) contracts to AI Signal Research, Inc. (ASRI), in Huntsville, Alabama. ASRI developed a software package called PC-SIGNAL that NASA now employs on a daily basis, and in 2009, the PKP-Module won Marshall s Software of the Year award. The technology is also used in many industries: aircraft and helicopter, rocket engine manufacturing, transportation, and nuclear power."
Arapiraca, A F C; Jonsson, Dan; Mohallem, J R
2011-12-28
We report an upgrade of the Dalton code to include post Born-Oppenheimer nuclear mass corrections in the calculations of (ro-)vibrational averages of molecular properties. These corrections are necessary to achieve an accuracy of 10(-4) debye in the calculations of isotopic dipole moments. Calculations on the self-consistent field level present this accuracy, while numerical instabilities compromise correlated calculations. Applications to HD, ethane, and ethylene isotopologues are implemented, all of them approaching the experimental values.
A Vibration Isolation System for Use in a Large Thermal Vacuum Test Facility
NASA Technical Reports Server (NTRS)
Hershfeld, Donald; VanCampen, Julie
2002-01-01
A thermal vacuum payload platform that is isolated from background vibration is required to support the development of future instruments for Hubble Space Telescope (HST) and the Next Generation Space Telescope (NGST) at the Goddard Space Flight Center (GSFC). Because of the size and weight of the thermal/vacuum facility in which the instruments are tested, it is not practical to isolate the entire facility externally. Therefore, a vibration isolation system has been designed and fabricated to be installed inside the chamber. The isolation system provides a payload interface of 3.05 m (10 feet) in diameter and is capable of supporting a maximum payload weight of 4536 kg (10,000 Lbs). A counterweight system has been included to insure stability of payloads having high centers of gravity. The vibration isolation system poses a potential problem in that leakage into the chamber could compromise the ability to maintain vacuum. Strict specifications were imposed on the isolation system design to minimize leakage. Vibration measurements, obtained inside the chamber, prior to installing the vibration isolation system, indicated levels in all axes of approximately 1 milli-g at about 20 Hz. The vibration isolation system was designed to provide a minimum attenuation of 40 dB to these levels. This paper describes the design and testing of this unique vibration isolation system. Problems with leakage and corrective methods are presented. Isolation performance results are also presented.
Measurement of vibrations at different sections of rail through fiber optic sensors
NASA Astrophysics Data System (ADS)
Barreda, A.; Molina-Jiménez, T.; Valero, E.; Recuero, S.
2011-09-01
This paper presents the results of an investigation about how the vibration of railway vehicles affects nearby buildings. The overall objective is to study the vibration generated in urban environments by tram, train and subway, its transmission to the ground and how the buildings and constructions of the environment receive them. Vibrations can generate noise and vibrations in buildings. For this reason it is necessary to characterize the level of vibration affecting rail, road infrastructure and sidewalks and nearby buildings, to assess the influence of the train (speed, type, profile wheel ,..), rail (area of rolling) and route of step, and finally define interim corrective measures. In this study measurements of levels of energy and vibration excitation frequencies will be undertaken through optical techniques: optical fiber networks with distributed Bragg sensors. Measuring these vibrations in different configurations allows us to evaluate the suitability of different sections of rail for different types of uses or environments. This study aims to help improve the safety of the built environment in the vicinity of a railway operation, and thus increase the comfort for passengers and to reduce the environmental impact.
Period of vibration of axially vibrating truly nonlinear rod
NASA Astrophysics Data System (ADS)
Cveticanin, L.
2016-07-01
In this paper the axial vibration of a muscle whose fibers are parallel to the direction of muscle compression is investigated. The model is a clamped-free rod with a strongly nonlinear elastic property. Axial vibration is described by a nonlinear partial differential equation. A solution of the equation is constructed for special initial conditions by using the method of separation of variables. The partial differential equation is separated into two uncoupled strongly nonlinear second order differential equations. Both equations, with displacement function and with time function are exactly determined. Exact solutions are given in the form of inverse incomplete and inverse complete Beta function. Using boundary and initial conditions, the frequency of vibration is obtained. It has to be mentioned that the determined frequency represents the exact analytic description for the axially vibrating truly nonlinear clamped-free rod. The procedure suggested in this paper is applied for calculation of the frequency of the longissimus dorsi muscle of a cow. The influence of elasticity order and elasticity coefficient on the frequency property is tested.
Corrected implicit Monte Carlo
NASA Astrophysics Data System (ADS)
Cleveland, M. A.; Wollaber, A. B.
2018-04-01
In this work we develop a set of nonlinear correction equations to enforce a consistent time-implicit emission temperature for the original semi-implicit IMC equations. We present two possible forms of correction equations: one results in a set of non-linear, zero-dimensional, non-negative, explicit correction equations, and the other results in a non-linear, non-negative, Boltzman transport correction equation. The zero-dimensional correction equations adheres to the maximum principle for the material temperature, regardless of frequency-dependence, but does not prevent maximum principle violation in the photon intensity, eventually leading to material overheating. The Boltzman transport correction guarantees adherence to the maximum principle for frequency-independent simulations, at the cost of evaluating a reduced source non-linear Boltzman equation. We present numerical evidence suggesting that the Boltzman transport correction, in its current form, significantly improves time step limitations but does not guarantee adherence to the maximum principle for frequency-dependent simulations.
Corrected Implicit Monte Carlo
Cleveland, Mathew Allen; Wollaber, Allan Benton
2018-01-02
Here in this work we develop a set of nonlinear correction equations to enforce a consistent time-implicit emission temperature for the original semi-implicit IMC equations. We present two possible forms of correction equations: one results in a set of non-linear, zero-dimensional, non-negative, explicit correction equations, and the other results in a non-linear, non-negative, Boltzman transport correction equation. The zero-dimensional correction equations adheres to the maximum principle for the material temperature, regardless of frequency-dependence, but does not prevent maximum principle violation in the photon intensity, eventually leading to material overheating. The Boltzman transport correction guarantees adherence to the maximum principle formore » frequency-independent simulations, at the cost of evaluating a reduced source non-linear Boltzman equation. Finally, we present numerical evidence suggesting that the Boltzman transport correction, in its current form, significantly improves time step limitations but does not guarantee adherence to the maximum principle for frequency-dependent simulations.« less
Quantum vibrational polarons: Crystalline acetanilide revisited
NASA Astrophysics Data System (ADS)
Hamm, Peter; Edler, Julian
2006-03-01
We discuss a refined theoretical description of the peculiar spectroscopy of crystalline acetanilide (ACN). Acetanilide is a molecular crystal with quasi-one-dimensional chains of hydrogen-bonded units, which is often regarded as a model system for the vibrational spectroscopy of proteins. In linear spectroscopy, the CO stretching (amide I) band of ACN features a double-peak structure, the lower of which shows a pronounced temperature dependence which has been discussed in the context of polaron theory. In nonlinear spectroscopy, both of these peaks respond distinctly differently. The lower-frequency band exhibits the anharmonicity expected from polaron theory, while the higher-frequency band responds as if it were quasiharmonic. We have recently related the response of the higher-frequency band to that of a free exciton [J. Edler and P. Hamm, J. Chem. Phys. 117, 2415 (2002)]. However, as discussed in the present paper, the free exciton is not an eigenstate of the full quantum version of the Holstein polaron Hamiltonian, which is commonly used to describe these phenomena. In order to resolve this issue, we present a numerically exact solution of the Holstein polaron Hamiltonian in one dimension (1D) and 3D. In 1D, we find that the commonly used displaced oscillator picture remains qualitatively correct, even for relatively large exciton coupling. However, the result is not in agreement with the experiment, as it fails to explain the free-exciton band. In contrast, when taking into account the 3D nature of crystalline acetanilide, certain parameter regimes exist where the displaced oscillator picture breaks down and states appear in the spectrum that indeed exhibit the characteristics of a free exciton. The appearance of these states is a speciality of vibrational polarons, whose source of exciton coupling is transition dipole coupling which is expected to have opposite signs of interchain and intrachain coupling.
Piezoelectrically forced vibrations of rectangular SC-cut quartz plates
NASA Astrophysics Data System (ADS)
Lee, P. C. Y.; Lin, W. S.
1998-06-01
A system of two-dimensional first-order equations for piezoelectric crystal plates with general symmetry and with electroded faces was recently deduced from the three-dimensional equations of linear piezoelectricity. Solutions of these equations for AT-cut plates of quartz were shown to give accurate dispersion curves without corrections, and the resonances predicted agree closely with the experimental data of Koga and Fukuyo [I. Koga and H. Fukuyo, J. Inst. Electr. Commun. Eng. Jpn. 36, 59 (1953)] and that of Nakazawa, Horiuchi, and Ito (M. Nakazawa, K. Horiuchi, and H. Ito, Proceedings of the 1990 IEEE Ultrasonics Symposium, pp. 547-555). In this article, these equations are employed to study the free as well as the forced vibrations of doubly rotated quartz plates. Solutions of straight-crested vibrational modes varying in the x1 and x3 directions of SC-cut quartz plates of infinite extent are obtained and from which dispersion curves are computed. Comparison of those dispersion curves with those from the three-dimensional equations shows that the agreement is very close without any corrections. Resonance frequencies for free vibrations and capacitance ratios for piezoelectrically forced vibrations are computed and examined for various length-to-thickness or width-to-thickness ratios of rectangular SC-cut quartz plates. The capacitance ratio as a function of forcing frequency is computed for a rectangular AT-cut quartz and compared with the experimental data of Seikimoto, Watanabe, and Nakazawa (H. Sekimoto, Y. Watanabe, and M. Nakazawa, Proceedings of the 1992 IEEE Frequency Control Symposium, pp. 532-536) and is in close agreement.
Vibration testing and analysis using holography
NASA Technical Reports Server (NTRS)
1971-01-01
Time average holography is useful in recording steady state vibrational mode patterns. Phase relationships under steady state conditions are measured with real time holography and special phase shifting techniques. Data from Michelson interferometer verify vibration amplitudes from holographic data.
Soil chemical insights provided through vibrational spectroscopy
Vibrational spectroscopy techniques provide a powerful approach to study environmental materials and processes. These multifunctional analysis tools can be used to probe molecular vibrations of solid, liquid, and gaseous samples for characterizing materials, elucidating reaction mechanisms, and exam...
System precisely controls oscillation of vibrating mass
NASA Technical Reports Server (NTRS)
Hancock, D. J.
1967-01-01
System precisely controls the sinusoidal amplitude of a vibrating mechanical mass. Using two sets of coils, the system regulates the drive signal amplitude at the precise level to maintain the mechanical mass when it reaches the desired vibration amplitude.
Sawicki, Richard H.
1994-01-01
An improved laser correction mirror (10) for correcting aberrations in a laser beam wavefront having a rectangular mirror body (12) with a plurality of legs (14, 16, 18, 20, 22, 24, 26, 28) arranged into opposing pairs (34, 36, 38, 40) along the long sides (30, 32) of the mirror body (12). Vector force pairs (49, 50, 52, 54) are applied by adjustment mechanisms (42, 44, 46, 48) between members of the opposing pairs (34, 36, 38, 40) for bending a reflective surface 13 of the mirror body 12 into a shape defining a function which can be used to correct for comatic aberrations.
Improved Technique for Finding Vibration Parameters
NASA Technical Reports Server (NTRS)
Andrew, L. V.; Park, C. C.
1986-01-01
Filtering and sample manipulation reduce noise effects. Analysis technique improves extraction of vibrational frequencies and damping rates from measurements of vibrations of complicated structure. Structural vibrations measured by accelerometers. Outputs digitized at frequency high enough to cover all modes of interest. Use of method on set of vibrational measurements from Space Shuttle, raised level of coherence from previous values below 50 percent to values between 90 and 99 percent
Hydrogen rotation-vibration oscillator
Rhodes, C.K.
1974-01-29
A laser system is described wherein molecular species of hydrogen and hydrogen isotopes are induced to oscillate on rotational-vibrational levels by subjecting the hydrogen to a transverse beam of electrons of a narrowly defined energy between about 1 and 5 eV, thereby producing high intensity and high energy output. (Official Gazette)
Study of lattice defect vibration
NASA Technical Reports Server (NTRS)
Elliott, R. J.
1969-01-01
Report on the vibrations of defects in crystals relates how defects, well localized in a crystal but interacting strongly with the other atoms, change the properties of a perfect crystal. The methods used to solve defect problems relate the properties of an imperfect lattice to the properties of a perfect lattice.
2005-08-01
Hulshof , 1999; Dupuis & Zerlett, 1986; Kittusamy & Buchholz, 2004; Seidel, 1993). There is also evidence of intervertebral disc problems and...Bovenzi, M., & Hulshof , C.T.J. (1999). An updated review of epidemiologic studies on the relationship between exposure to whole-body vibration and
Vibrating-chamber levitation systems
NASA Technical Reports Server (NTRS)
Barmatz, M. B.; Granett, D.; Lee, M. C. (Inventor)
1985-01-01
Systems are described for the acoustic levitation of objects, which enable the use of a sealed rigid chamber to avoid contamination of the levitated object. The apparatus includes a housing forming a substantially closed chamber, and means for vibrating the entire housing at a frequency that produces an acoustic standing wave pattern within the chamber.
Vibration Damping Circuit Card Assembly
NASA Technical Reports Server (NTRS)
Hunt, Ronald Allen (Inventor)
2016-01-01
A vibration damping circuit card assembly includes a populated circuit card having a mass M. A closed metal container is coupled to a surface of the populated circuit card at approximately a geometric center of the populated circuit card. Tungsten balls fill approximately 90% of the metal container with a collective mass of the tungsten balls being approximately (0.07) M.
Vibrational soliton: an experimental overview
Bigio, I.J.
1986-03-08
To date the most convincing evidence of vibrational solitons in biopolymers has been found in two very disparate systems: Davydov-like excitations in hydrogen-bonded linear chains (acetanilide and N-methylacetamide) which are not biopolymers but plausible structural paradigms for biopolymers, and longitudinal accoustic modes of possibly nonlinear character in biologically viable DNA. 17 refs., 4 figs.
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.
49 CFR 178.985 - Vibration test.
Code of Federal Regulations, 2014 CFR
2014-10-01
... 49 Transportation 3 2014-10-01 2014-10-01 false Vibration test. 178.985 Section 178.985... Packagings § 178.985 Vibration test. (a) General. All rigid Large Packaging and flexible Large Packaging design types must be capable of withstanding the vibration test. (b) Test method. (1) A sample Large...
49 CFR 178.985 - Vibration test.
Code of Federal Regulations, 2012 CFR
2012-10-01
... 49 Transportation 3 2012-10-01 2012-10-01 false Vibration test. 178.985 Section 178.985... Packagings § 178.985 Vibration test. (a) General. All rigid Large Packaging and flexible Large Packaging design types must be capable of withstanding the vibration test. (b) Test method. (1) A sample Large...
Code of Federal Regulations, 2012 CFR
2012-01-01
... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Vibration. 27.251 Section 27.251... STANDARDS: NORMAL CATEGORY ROTORCRAFT Flight Miscellaneous Flight Requirements § 27.251 Vibration. Each part of the rotorcraft must be free from excessive vibration under each appropriate speed and power...
49 CFR 178.608 - Vibration standard.
Code of Federal Regulations, 2011 CFR
2011-10-01
... 49 Transportation 3 2011-10-01 2011-10-01 false Vibration standard. 178.608 Section 178.608... Packagings and Packages § 178.608 Vibration standard. (a) Each packaging must be capable of withstanding, without rupture or leakage, the vibration test procedure outlined in this section. (b) Test method. (1...
49 CFR 178.608 - Vibration standard.
Code of Federal Regulations, 2010 CFR
2010-10-01
... 49 Transportation 2 2010-10-01 2010-10-01 false Vibration standard. 178.608 Section 178.608... Testing of Non-bulk Packagings and Packages § 178.608 Vibration standard. (a) Each packaging must be capable of withstanding, without rupture or leakage, the vibration test procedure outlined in this section...
49 CFR 178.985 - Vibration test.
Code of Federal Regulations, 2010 CFR
2010-10-01
... 49 Transportation 2 2010-10-01 2010-10-01 false Vibration test. 178.985 Section 178.985... Testing of Large Packagings § 178.985 Vibration test. (a) General. All rigid Large Packaging and flexible Large Packaging design types must be capable of withstanding the vibration test. (b) Test method. (1) A...
49 CFR 178.608 - Vibration standard.
Code of Federal Regulations, 2013 CFR
2013-10-01
... 49 Transportation 3 2013-10-01 2013-10-01 false Vibration standard. 178.608 Section 178.608... Packagings and Packages § 178.608 Vibration standard. (a) Each packaging must be capable of withstanding, without rupture or leakage, the vibration test procedure outlined in this section. (b) Test method. (1...
Code of Federal Regulations, 2013 CFR
2013-01-01
... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Vibration. 29.251 Section 29.251... STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Flight Miscellaneous Flight Requirements § 29.251 Vibration. Each part of the rotorcraft must be free from excessive vibration under each appropriate speed and power...
Code of Federal Regulations, 2014 CFR
2014-01-01
... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Vibration. 27.251 Section 27.251... STANDARDS: NORMAL CATEGORY ROTORCRAFT Flight Miscellaneous Flight Requirements § 27.251 Vibration. Each part of the rotorcraft must be free from excessive vibration under each appropriate speed and power...
Code of Federal Regulations, 2011 CFR
2011-01-01
... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Vibration. 29.251 Section 29.251... STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Flight Miscellaneous Flight Requirements § 29.251 Vibration. Each part of the rotorcraft must be free from excessive vibration under each appropriate speed and power...
49 CFR 178.608 - Vibration standard.
Code of Federal Regulations, 2014 CFR
2014-10-01
... 49 Transportation 3 2014-10-01 2014-10-01 false Vibration standard. 178.608 Section 178.608... Packagings and Packages § 178.608 Vibration standard. (a) Each packaging must be capable of withstanding, without rupture or leakage, the vibration test procedure outlined in this section. (b) Test method. (1...
Code of Federal Regulations, 2010 CFR
2010-01-01
... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Vibration. 29.251 Section 29.251... STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Flight Miscellaneous Flight Requirements § 29.251 Vibration. Each part of the rotorcraft must be free from excessive vibration under each appropriate speed and power...
Code of Federal Regulations, 2013 CFR
2013-01-01
... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Vibration. 27.251 Section 27.251... STANDARDS: NORMAL CATEGORY ROTORCRAFT Flight Miscellaneous Flight Requirements § 27.251 Vibration. Each part of the rotorcraft must be free from excessive vibration under each appropriate speed and power...
Code of Federal Regulations, 2012 CFR
2012-01-01
... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Vibration. 29.251 Section 29.251... STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Flight Miscellaneous Flight Requirements § 29.251 Vibration. Each part of the rotorcraft must be free from excessive vibration under each appropriate speed and power...
Code of Federal Regulations, 2010 CFR
2010-01-01
... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Vibration. 27.251 Section 27.251... STANDARDS: NORMAL CATEGORY ROTORCRAFT Flight Miscellaneous Flight Requirements § 27.251 Vibration. Each part of the rotorcraft must be free from excessive vibration under each appropriate speed and power...
Code of Federal Regulations, 2011 CFR
2011-01-01
... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Vibration. 27.251 Section 27.251... STANDARDS: NORMAL CATEGORY ROTORCRAFT Flight Miscellaneous Flight Requirements § 27.251 Vibration. Each part of the rotorcraft must be free from excessive vibration under each appropriate speed and power...
49 CFR 178.985 - Vibration test.
Code of Federal Regulations, 2011 CFR
2011-10-01
... 49 Transportation 3 2011-10-01 2011-10-01 false Vibration test. 178.985 Section 178.985... Packagings § 178.985 Vibration test. (a) General. All rigid Large Packaging and flexible Large Packaging design types must be capable of withstanding the vibration test. (b) Test method. (1) A sample Large...
49 CFR 178.608 - Vibration standard.
Code of Federal Regulations, 2012 CFR
2012-10-01
... 49 Transportation 3 2012-10-01 2012-10-01 false Vibration standard. 178.608 Section 178.608... Packagings and Packages § 178.608 Vibration standard. (a) Each packaging must be capable of withstanding, without rupture or leakage, the vibration test procedure outlined in this section. (b) Test method. (1...
Code of Federal Regulations, 2014 CFR
2014-01-01
... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Vibration. 29.251 Section 29.251... STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Flight Miscellaneous Flight Requirements § 29.251 Vibration. Each part of the rotorcraft must be free from excessive vibration under each appropriate speed and power...
A multidegree-of-freedom vibrational apparatus
NASA Technical Reports Server (NTRS)
Kerley, J. J., Jr.; Schaller, N. C.
1973-01-01
Apparatus uses prestressed cables to support vibrational table. Cables are durable, do not require frequent servicing, and provide increased safety. Because much weight rests on these cables, vibration actuating pistons can provide longer service. In event of structural failure of other supporting components, they will support entire weight of vibrational table.
Code of Federal Regulations, 2010 CFR
2010-01-01
... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Vibration. 33.33 Section 33.33 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION AIRCRAFT AIRWORTHINESS... vibration and without imparting excessive vibration forces to the aircraft structure. ...
Code of Federal Regulations, 2014 CFR
2014-01-01
... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Vibration. 33.63 Section 33.63 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION AIRCRAFT AIRWORTHINESS... because of vibration and without imparting excessive vibration forces to the aircraft structure. [Doc. No...
Code of Federal Regulations, 2012 CFR
2012-01-01
... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Vibration. 33.33 Section 33.33 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION AIRCRAFT AIRWORTHINESS... vibration and without imparting excessive vibration forces to the aircraft structure. ...
Code of Federal Regulations, 2013 CFR
2013-01-01
... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Vibration. 33.33 Section 33.33 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION AIRCRAFT AIRWORTHINESS... vibration and without imparting excessive vibration forces to the aircraft structure. ...
Code of Federal Regulations, 2014 CFR
2014-01-01
... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Vibration. 33.33 Section 33.33 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION AIRCRAFT AIRWORTHINESS... vibration and without imparting excessive vibration forces to the aircraft structure. ...
Code of Federal Regulations, 2012 CFR
2012-01-01
... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Vibration. 33.63 Section 33.63 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION AIRCRAFT AIRWORTHINESS... because of vibration and without imparting excessive vibration forces to the aircraft structure. [Doc. No...
Code of Federal Regulations, 2011 CFR
2011-01-01
... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Vibration. 33.33 Section 33.33 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION AIRCRAFT AIRWORTHINESS... vibration and without imparting excessive vibration forces to the aircraft structure. ...
Code of Federal Regulations, 2013 CFR
2013-01-01
... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Vibration. 33.63 Section 33.63 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION AIRCRAFT AIRWORTHINESS... because of vibration and without imparting excessive vibration forces to the aircraft structure. [Doc. No...
Vibrational Responses Of Structures To Impulses
NASA Technical Reports Server (NTRS)
Zak, Michail A.
1990-01-01
Report discusses propagation of vibrations in structure in response to impulsive and/or concentrated loads. Effects of pulsed loads treated by analyzing propagation of characteristic vibrational waves explicitly through each member of structure. This wave-front analysis used in combination with usual finite-element modal analysis to obtain more accurate representation of overall vibrational behavior.
14 CFR 29.907 - Engine vibration.
Code of Federal Regulations, 2013 CFR
2013-01-01
... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Engine vibration. 29.907 Section 29.907... STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Powerplant General § 29.907 Engine vibration. (a) Each engine must be installed to prevent the harmful vibration of any part of the engine or rotorcraft. (b) The...
14 CFR 29.907 - Engine vibration.
Code of Federal Regulations, 2012 CFR
2012-01-01
... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Engine vibration. 29.907 Section 29.907... STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Powerplant General § 29.907 Engine vibration. (a) Each engine must be installed to prevent the harmful vibration of any part of the engine or rotorcraft. (b) The...
14 CFR 29.907 - Engine vibration.
Code of Federal Regulations, 2011 CFR
2011-01-01
... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Engine vibration. 29.907 Section 29.907... STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Powerplant General § 29.907 Engine vibration. (a) Each engine must be installed to prevent the harmful vibration of any part of the engine or rotorcraft. (b) The...
14 CFR 29.907 - Engine vibration.
Code of Federal Regulations, 2014 CFR
2014-01-01
... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Engine vibration. 29.907 Section 29.907... STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Powerplant General § 29.907 Engine vibration. (a) Each engine must be installed to prevent the harmful vibration of any part of the engine or rotorcraft. (b) The...
14 CFR 29.907 - Engine vibration.
Code of Federal Regulations, 2010 CFR
2010-01-01
... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Engine vibration. 29.907 Section 29.907... STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Powerplant General § 29.907 Engine vibration. (a) Each engine must be installed to prevent the harmful vibration of any part of the engine or rotorcraft. (b) The...
Actively Controlled Magnetic Vibration-Isolation System
NASA Technical Reports Server (NTRS)
Grodsinky, Carlos M.; Logsdon, Kirk A.; Wbomski, Joseph F.; Brown, Gerald V.
1993-01-01
Prototype magnetic suspension system with active control isolates object from vibrations in all six degrees of freedom at frequencies as low as 0.01 Hz. Designed specifically to protect instruments aboard spacecraft by suppressing vibrations to microgravity levels; basic control approach used for such terrestrial uses as suppression of shocks and other vibrations in trucks and railroad cars.
49 CFR 178.985 - Vibration test.
Code of Federal Regulations, 2013 CFR
2013-10-01
... 49 Transportation 3 2013-10-01 2013-10-01 false Vibration test. 178.985 Section 178.985... Packagings § 178.985 Vibration test. (a) General. All rigid Large Packaging and flexible Large Packaging design types must be capable of withstanding the vibration test. (b) Test method. (1) A sample Large...
Vibrations that live long and prosper
NASA Astrophysics Data System (ADS)
Utz, Arthur L.
2018-06-01
Molecular vibrations can be highly effective promoters of gas-phase chemistry. Now, measurements show that excited vibrational states can survive on metal surfaces far longer than expected — reshaping our understanding of how vibrational excitation might also promote or modify heterogeneously catalysed chemistry on metals.
Vibrations in a moving flexible robot arm
NASA Technical Reports Server (NTRS)
Wang, P. K. C.; Wei, Jin-Duo
1987-01-01
The vibration in a flexible robot arm modeled by a moving slender prismatic beam is considered. It is found that the extending and contracting motions have destabilizing and stabilizing effects on the vibratory motions, respectively. The vibration analysis is based on a Galerkin approximation with time-dependent basis functions. Typical numerical results are presented to illustrate the qualitative features of vibrations.
Large entropy derived from low-frequency vibrations and its implications for hydrogen storage
NASA Astrophysics Data System (ADS)
Wang, Xiaoxia; Chen, Hongshan
2018-02-01
Adsorption and desorption are driven by the energy and entropy competition, but the entropy effect is often ignored in hydrogen storage and the optimal adsorption strength for the ambient storage is controversial in the literature. This letter investigated the adsorption states of the H2 molecule on M-B12C6N6 (M = Li, Na, Mg, Ca, and Sc) and analyzed the correlation among the zero point energy (ZPE), the entropy change, and the adsorption energy and their effects on the delivery capacities. The ZPE has large correction to the adsorption energy due to the light mass of hydrogen. The computations show that the potential energies along the spherical surface centered at the alkali metals are very flat and it leads to large entropy (˜70 J/mol.K) of the adsorbed H2 molecules. The entropy change can compensate the enthalpy change effectively, and the ambient storage can be realized with relatively weak adsorption of ΔH = -12 kJ/mol. The results are encouraging and instructive for the design of hydrogen storage materials.
Siegert, Ralf
2004-11-01
Many techniques have been described for the correction of protruding ears. Most of them concentrate on correcting the form and position of auricular cartilage. The lobule is a soft tissue structure. Skin resections of its posterior surface have been propagated for the correction of its position; however, these cause tension on the wound and might increase the already relatively high risk for the development of keloids. We have modified the technique for correcting the protruding lobule for its exact positioning and minimizing the risk for relapse and keloids. Starting from the incision performed for the anthelix plasty, a subcutaneous pocket is prepared between the anterior and posterior sides of the lobule. Afterwards, the subcutaneous layer of the postlobular skin is adjusted and fixed to the cartilage of the conchal cavum with a special mattress suture. This technique is a refinement of otoplasty for bat ears. It is indicated for precise modification of form and position of protruding lobules.
ERIC Educational Resources Information Center
Shaw, John M.; Sheahen, Thomas P.
1994-01-01
Describes the theory behind the workings of the Hubble Space Telescope, the spherical aberration in the primary mirror that caused a reduction in image quality, and the corrective device that compensated for the error. (JRH)
Effect of shelf aging on vibration transmissibility of anti-vibration gloves
SHIBATA, Nobuyuki
2017-01-01
Anti-vibration gloves have been used in real workplaces to reduce vibration transmitted through hand-held power tools to the hand. Generally materials used for vibration attenuation in gloves are resilient materials composed of certain synthetic and/or composite polymers. The mechanical characteristics of the resilient materials used in anti-vibration gloves are prone to be influenced by environmental conditions such as temperature, humidity, and photo-irradiation, which cause material degradation and aging. This study focused on the influence of shelf aging on the vibration attenuation performance of air-packaged anti-vibration gloves following 2 yr of shelf aging. Effects of shelf aging on the vibration attenuation performance of anti-vibration gloves were examined according to the Japan industrial standard JIS T8114 test protocol. The findings indicate that shelf aging induces the reduction of vibration attenuation performance in air-packaged anti-vibration gloves. PMID:28978817
1987-06-01
functions, so that, for example, the device could function as a.% combined beam splitter /multifocus lens/mirror. Offset against these advantages are...illustrated in Figure 7. Here the reconstructed, phase corrected wave, is interfered with a plane wave introduced ..- after the hologram, via a beam splitter ...the recording medium). c. The phase correction can be combined with other beam forming functions. This can result in further savings in size and weight
NASA Astrophysics Data System (ADS)
Lidar, Daniel A.; Brun, Todd A.
2013-09-01
Prologue; Preface; Part I. Background: 1. Introduction to decoherence and noise in open quantum systems Daniel Lidar and Todd Brun; 2. Introduction to quantum error correction Dave Bacon; 3. Introduction to decoherence-free subspaces and noiseless subsystems Daniel Lidar; 4. Introduction to quantum dynamical decoupling Lorenza Viola; 5. Introduction to quantum fault tolerance Panos Aliferis; Part II. Generalized Approaches to Quantum Error Correction: 6. Operator quantum error correction David Kribs and David Poulin; 7. Entanglement-assisted quantum error-correcting codes Todd Brun and Min-Hsiu Hsieh; 8. Continuous-time quantum error correction Ognyan Oreshkov; Part III. Advanced Quantum Codes: 9. Quantum convolutional codes Mark Wilde; 10. Non-additive quantum codes Markus Grassl and Martin Rötteler; 11. Iterative quantum coding systems David Poulin; 12. Algebraic quantum coding theory Andreas Klappenecker; 13. Optimization-based quantum error correction Andrew Fletcher; Part IV. Advanced Dynamical Decoupling: 14. High order dynamical decoupling Zhen-Yu Wang and Ren-Bao Liu; 15. Combinatorial approaches to dynamical decoupling Martin Rötteler and Pawel Wocjan; Part V. Alternative Quantum Computation Approaches: 16. Holonomic quantum computation Paolo Zanardi; 17. Fault tolerance for holonomic quantum computation Ognyan Oreshkov, Todd Brun and Daniel Lidar; 18. Fault tolerant measurement-based quantum computing Debbie Leung; Part VI. Topological Methods: 19. Topological codes Héctor Bombín; 20. Fault tolerant topological cluster state quantum computing Austin Fowler and Kovid Goyal; Part VII. Applications and Implementations: 21. Experimental quantum error correction Dave Bacon; 22. Experimental dynamical decoupling Lorenza Viola; 23. Architectures Jacob Taylor; 24. Error correction in quantum communication Mark Wilde; Part VIII. Critical Evaluation of Fault Tolerance: 25. Hamiltonian methods in QEC and fault tolerance Eduardo Novais, Eduardo Mucciolo and
ICT: isotope correction toolbox.
Jungreuthmayer, Christian; Neubauer, Stefan; Mairinger, Teresa; Zanghellini, Jürgen; Hann, Stephan
2016-01-01
Isotope tracer experiments are an invaluable technique to analyze and study the metabolism of biological systems. However, isotope labeling experiments are often affected by naturally abundant isotopes especially in cases where mass spectrometric methods make use of derivatization. The correction of these additive interferences--in particular for complex isotopic systems--is numerically challenging and still an emerging field of research. When positional information is generated via collision-induced dissociation, even more complex calculations for isotopic interference correction are necessary. So far, no freely available tools can handle tandem mass spectrometry data. We present isotope correction toolbox, a program that corrects tandem mass isotopomer data from tandem mass spectrometry experiments. Isotope correction toolbox is written in the multi-platform programming language Perl and, therefore, can be used on all commonly available computer platforms. Source code and documentation can be freely obtained under the Artistic License or the GNU General Public License from: https://github.com/jungreuc/isotope_correction_toolbox/ {christian.jungreuthmayer@boku.ac.at,juergen.zanghellini@boku.ac.at} Supplementary data are available at Bioinformatics online. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.
Method for enriching a middle isotope using vibration-vibration pumping
Rich, Joseph W.; Homicz, Gregory F.; Bergman, Richard C.
1989-01-01
Method for producing isotopically enriched material by vibration-vibration excitation of gaseous molecules wherein a middle mass isotope of an isotopic mixture including lighter and heavier mass isotopes preferentially populates a higher vibrational mode and chemically reacts to provide a product in which it is enriched. The method can be used for vibration-vibration enrichment of .sup.17 O in a CO reactant mixture.
Rashev, Svetoslav; Moule, David C; Rashev, Vladimir
2012-11-01
We perform converged high precision variational calculations to determine the frequencies of a large number of vibrational levels in S(0) D(2)CO, extending from low to very high excess vibrational energies. For the calculations we use our specific vibrational method (recently employed for studies on H(2)CO), consisting of a combination of a search/selection algorithm and a Lanczos iteration procedure. Using the same method we perform large scale converged calculations on the vibrational level spectral structure and fragmentation at selected highly excited overtone states, up to excess vibrational energies of ∼17,000 cm(-1), in order to study the characteristics of intramolecular vibrational redistribution (IVR), vibrational level density and mode selectivity. Copyright © 2012 Elsevier B.V. All rights reserved.
Cluster kinetics model of particle separation in vibrated granular media.
McCoy, Benjamin J; Madras, Giridhar
2006-01-01
We model the Brazil-nut effect (BNE) by hypothesizing that granules form clusters that fragment and aggregate. This provides a heterogeneous medium in which the immersed intruder particle rises (BNE) or sinks (reverse BNE) according to relative convection currents and buoyant and drag forces. A simple relationship proposed for viscous drag in terms of the vibrational intensity and the particle to grain density ratio allows simulation of published experimental data for rise and sink times as functions of particle radius, initial depth of the particle, and particle-grain density ratio. The proposed model correctly describes the experimentally observed maximum in risetime.
NASA Technical Reports Server (NTRS)
Walter, T. J.
1978-01-01
Vibration characteristics for overhauled T53 engines, including rejection rate, principal sources of vibration, and normal procedures taken by the overhaul center to reduce engine vibration are summarized. Analytical and experimental data were compared to determine the engine's dynamic response to unbalance forces with results showing that the engine operates through bending critical speeds. Present rigid rotor balancing techniques are incapable of compensating for the flexible rotor unbalance. A comparison of typical test cell and aircraft vibration levels disclosed significant differences in the engine's dynamic response. A probable spline shift phenomenon was uncovered and investigated. Action items to control costs and reduce vibration levels were identified from analytical and experimental studies.
Vibration isolation of a ship's seat
NASA Astrophysics Data System (ADS)
Agahi, Maryam; Samani, Mehrdad B.; Behzad, Mehdi
2005-05-01
Different factors cause vibration. These vibrations make the voyages difficult and reduce comfort and convenience in passenger ships. In this paper, the creating factors of vibration have discussed first, then with mathematical modelling it will be attempted to minimize the vibration over the crew's seat. The modelling consists of a system with two degrees of freedom and by using vibrationisolation with passive method of Tuned Mass Damper (TMD) it will be tried to reduce the vibration over personnel. Moreover using active control systems will be compared with passive systems.
Drobyshev, V A; Efremov, A V; Loseva, M I; Sukharevskaia, T M; Michurin, A I
2002-01-01
Low-frequency magnetic fields and EHF-therapy have been used in correction of autonomic homeostasis in workers exposed to vibration for different periods of time. The workers suffered from early arterial hypertension. Vegetative status and central hemodynamics improved best in workers exposed to vibration for less than 5 years. If the exposure was 6-15 years, a positive trend occurred in the tension of regulatory mechanisms. Workers with long exposure to vibration suffering from vagotonia showed an inadequate response of the autonomic parameters to treatment. This necessitates enhancement of therapeutic measures with medicines.
Geological Corrections in Gravimetry
NASA Astrophysics Data System (ADS)
Mikuška, J.; Marušiak, I.
2015-12-01
Applying corrections for the known geology to gravity data can be traced back into the first quarter of the 20th century. Later on, mostly in areas with sedimentary cover, at local and regional scales, the correction known as gravity stripping has been in use since the mid 1960s, provided that there was enough geological information. Stripping at regional to global scales became possible after releasing the CRUST 2.0 and later CRUST 1.0 models in the years 2000 and 2013, respectively. Especially the later model provides quite a new view on the relevant geometries and on the topographic and crustal densities as well as on the crust/mantle density contrast. Thus, the isostatic corrections, which have been often used in the past, can now be replaced by procedures working with an independent information interpreted primarily from seismic studies. We have developed software for performing geological corrections in space domain, based on a-priori geometry and density grids which can be of either rectangular or spherical/ellipsoidal types with cells of the shapes of rectangles, tesseroids or triangles. It enables us to calculate the required gravitational effects not only in the form of surface maps or profiles but, for instance, also along vertical lines, which can shed some additional light on the nature of the geological correction. The software can work at a variety of scales and considers the input information to an optional distance from the calculation point up to the antipodes. Our main objective is to treat geological correction as an alternative to accounting for the topography with varying densities since the bottoms of the topographic masses, namely the geoid or ellipsoid, generally do not represent geological boundaries. As well we would like to call attention to the possible distortions of the corrected gravity anomalies. This work was supported by the Slovak Research and Development Agency under the contract APVV-0827-12.
Forced Vibration Analysis of a Multidegree Impact Vibrator
NASA Astrophysics Data System (ADS)
Pun, D.; Lau, S. L.; Law, S. S.; Cao, D. Q.
1998-06-01
The dynamics of a multidegree impact vibrator subject to harmonic loading is investigated. The system is represented by a lumped mass model which hits and rebounds from a rigid wall during vibration. The periodic solution to the equations of motion withNforcing cycles andPimpacts is formulated. The variational equations and the resulting transition matrix for investigating local stability of the periodic solutions are derived. A two-degree-of-freedom example is analysed, and a variety of motion types are found. Chaotic windows are present between regions of periodic response, and at these boundariesN-Pmotions are prevalent. Low velocity impacts are evident at exciting frequencies away from the natural frequencies. Two basins of attraction are computed, and the sensitivity to initial conditions is noted. The quality of theN-Pmotion is discussed from an engineering application perspective.
Vibration on board and health effects.
Jensen, Anker; Jepsen, Jørgen Riis
2014-01-01
There is only limited knowledge of the exposure to vibrations of ships' crews and their risk of vibration-induced health effects. Exposure to hand-arm vibrations from the use of vibrating tools at sea does not differ from that in the land-based trades. However, in contrast to most other work places, seafarers are also exposed to vibrations to the feet when standing on vibrating surfaces on board. Anecdotal reports have related the development of "white feet" to local exposure to vibration, e.g. in mining, but this connection has not been investigated in the maritime setting. As known from studies of the health consequences of whole body vibrations in land-transportation, such exposure at sea may affect ships' passengers and crews. While the relation of back disorders to high levels of whole body vibration has been demonstrated among e.g. tractor drivers, there are no reported epidemiological evidence for such relation among seafarers except for fishermen, who, however, are also exposed to additional recognised physical risk factors at work. The assessment and reduction of vibrations by naval architects relates to technical implications of this impact for the ships' construction, but has limited value for the estimation of health risks because they express the vibration intensity differently that it is done in a medical context.
Needle tip localization using stylet vibration.
Harmat, Adam; Rohling, Robert N; Salcudean, Septimiu E
2006-09-01
Power Doppler ultrasound is used to localize the tip of a needle by detecting physical vibrations. Two types of vibrations are investigated, lateral and axial. The lateral vibrations are created by rotating a stylet, whose tip is slightly bent, inside a stationary cannula while the stylet is completely within the cannula. The minute deflection at the needle tip when rotated causes tissue motion. The axial vibration is induced by extending and retracting a straight stylet inside a stationary cannula. The stylet's tip makes contact with the tissue and causes it to move. The lateral vibration method was found to perform approximately the same under a variety of configurations (e.g., different insertion angles and depths) and better than the axial vibration method. Tissue stiffness affects the performance of the lateral vibration method, but good images can be obtained through proper tuning of the ultrasound machine.
Interfacial instabilities in vibrated fluids
NASA Astrophysics Data System (ADS)
Porter, Jeff; Laverón-Simavilla, Ana; Tinao Perez-Miravete, Ignacio; Fernandez Fraile, Jose Javier
2016-07-01
Vibrations induce a range of different interfacial phenomena in fluid systems depending on the frequency and orientation of the forcing. With gravity, (large) interfaces are approximately flat and there is a qualitative difference between vertical and horizontal forcing. Sufficient vertical forcing produces subharmonic standing waves (Faraday waves) that extend over the whole interface. Horizontal forcing can excite both localized and extended interfacial phenomena. The vibrating solid boundaries act as wavemakers to excite traveling waves (or sloshing modes at low frequencies) but they also drive evanescent bulk modes whose oscillatory pressure gradient can parametrically excite subharmonic surface waves like cross-waves. Depending on the magnitude of the damping and the aspect ratio of the container, these locally generated surfaces waves may interact in the interior resulting in temporal modulation and other complex dynamics. In the case where the interface separates two fluids of different density in, for example, a rectangular container, the mass transfer due to vertical motion near the endwalls requires a counterflow in the interior region that can lead to a Kelvin-Helmholtz type instability and a ``frozen wave" pattern. In microgravity, the dominance of surface forces favors non-flat equilibrium configurations and the distinction between vertical and horizontal applied forcing can be lost. Hysteresis and multiplicity of solutions are more common, especially in non-wetting systems where disconnected (partial) volumes of fluid can be established. Furthermore, the vibrational field contributes a dynamic pressure term that competes with surface tension to select the (time averaged) shape of the surface. These new (quasi-static) surface configurations, known as vibroequilibria, can differ substantially from the hydrostatic state. There is a tendency for the interface to orient perpendicular to the vibrational axis and, in some cases, a bulge or cavity is induced
1980-09-01
angular dis- meters ( 3.3 inches). The user supplies t 15 volt regulated turbance when multiplied by a long line-of-sight distance power , and the...chosing these numbers o the vibration power will mostly f+l be allocated to the main resonan - > = f . f ces of the test item in a correct 1 (fV+l-f ) .. I...Generators Data Noraircoustic Mark V Lng EPT 1094B Output Acoustic Power 50 kW 10 KW Air Supply Pressure 827.36 N/m 2 X 103 (120 psig) 275.78 N/m 2 X 103
Attitudes Toward, and Use of, Vibrators in China.
Jing, Shen; Lay, Alixe; Weis, Laura; Furnham, Adrian
2018-01-02
The current study examined the relationship between traditional masculine traits and attitudes toward vibrator use, actual vibrator use, and frequency of vibrator use in China. In all, 235 Chinese females aged between 16 and 58 years completed a questionnaire regarding attitudes toward, and personal use of, vibrators. The results showed a positive association between masculine traits and attitudes toward women's vibrator use, attitudes toward vibrator use and actual vibrator use, as well as frequency of vibrator use. The findings revealed an indirect path in which masculinity influences actual and frequency of vibrator use through attitudes toward women's vibrator use. Limitations and implications of the study are discussed.
NASA Astrophysics Data System (ADS)
DONATI, P.
2002-05-01
Engineering solutions to minimize the effects on operators of vibrating mobile machinery can be conveniently grouped into three areas: Reduction of vibration at source by improvement of the quality of terrain, careful selection of vehicle or machine, correct loading, proper maintenance, etc.Reduction of vibration transmission by incorporating suspension systems (tyres, vehicle suspensions, suspension cab and seat) between the operator and the source of vibration.Improvement of cab ergonomics and seat profiles to optimize operator posture. These paper reviews the different techniques and problems linked to categories (2) and (3). According to epidemiological studies, the main health risk with whole-body vibration exposure would appear to be lower back pain. When designing new mobile machinery, all factors which may contribute to back injury should be considered in order to reduce risk. For example, optimized seat suspension is useless if the suspension seat cannot be correctly and easily adjusted to the driver's weight or if the driver is forced to drive in a bent position to avoid his head striking the ceiling due to the spatial requirement of the suspension seat.
Phaeochromocytoma [corrected] crisis.
Whitelaw, B C; Prague, J K; Mustafa, O G; Schulte, K-M; Hopkins, P A; Gilbert, J A; McGregor, A M; Aylwin, S J B
2014-01-01
Phaeochromocytoma [corrected] crisis is an endocrine emergency associated with significant mortality. There is little published guidance on the management of phaeochromocytoma [corrected] crisis. This clinical practice update summarizes the relevant published literature, including a detailed review of cases published in the past 5 years, and a proposed classification system. We review the recommended management of phaeochromocytoma [corrected] crisis including the use of alpha-blockade, which is strongly associated with survival of a crisis. Mechanical circulatory supportive therapy (including intra-aortic balloon pump or extra-corporeal membrane oxygenation) is strongly recommended for patients with sustained hypotension. Surgical intervention should be deferred until medical stabilization is achieved. © 2013 John Wiley & Sons Ltd.
Peteye detection and correction
NASA Astrophysics Data System (ADS)
Yen, Jonathan; Luo, Huitao; Tretter, Daniel
2007-01-01
Redeyes are caused by the camera flash light reflecting off the retina. Peteyes refer to similar artifacts in the eyes of other mammals caused by camera flash. In this paper we present a peteye removal algorithm for detecting and correcting peteye artifacts in digital images. Peteye removal for animals is significantly more difficult than redeye removal for humans, because peteyes can be any of a variety of colors, and human face detection cannot be used to localize the animal eyes. In many animals, including dogs and cats, the retina has a special reflective layer that can cause a variety of peteye colors, depending on the animal's breed, age, or fur color, etc. This makes the peteye correction more challenging. We have developed a semi-automatic algorithm for peteye removal that can detect peteyes based on the cursor position provided by the user and correct them by neutralizing the colors with glare reduction and glint retention.
NASA Astrophysics Data System (ADS)
Hiremath, Sudhir M.; Hiremath, C. S.; Khemalapure, S. S.; Patil, N. R.
2018-05-01
This paper reports the experimental and theoretical study on the structure and vibrations of 2-Methylphenyl boronic acid (2MPBA). The different spectroscopic techniques such as FT-IR (4000-400 cm-1) and FT-Raman (4000-50 cm-1) of the title molecule in the solid phase were recorded. The geometry of the molecule was fully optimized using density functional theory (DFT) (B3LYP) with 6-311++G(d, p) basis set calculations. The vibrational wavenumbers were also corrected with scale factor to take better results for the calculated data. Vibrational spectra were calculated and fundamental vibrations were assigned on the basis of the potential energy distribution (PED) of the vibrational modes obtained from VEDA 4 program. The calculated wavenumbers showed the best agreement with the experimental results. Whereas, it is observed that, the theoretical frequencies are more than the experimental one for O-H stretching vibration modes of the title molecule.
VIBRATION DAMPING AND SHOCK MOUNT
Stevens, D.J.; Forman, G.W.
1963-12-10
A shock absorbing mount in which vibrations are damped by an interference fit between relatively movable parts of the mount is described. A pair of generally cup-shaped parts or members have skirt portions disposed in an oppositely facing nesting relationship with the skirt of one member frictionally engaging the skirt of the other. The outermost skirt may be slotted to provide spring-like segments which embrace the inner skirt for effecting the interference fit. Belleville washers between the members provide yieldable support for a load carried by the mount. When a resonant frequency of vibration forces acting upon the moumt attains a certain level the kinetic energy of these forces is absorbed by sliding friction between the parts. (AEC)
ERIC Educational Resources Information Center
Bliss, S. A.
2017-01-01
Drawing from the conceptual framework of "shunyata" (emptiness), this article elucidates mindfulness practices and detachment from identity labels, offering a turn toward educators' and students' well-being. With a call for educators to consider a personal mindfulness practice prior to implementing techniques with children, the author…
The Rational Zero Point on Incentive-Object Preference Scales: A Developmental Study
ERIC Educational Resources Information Center
Haaf, Robert A.
1971-01-01
Preference judgments made by 20 males and 20 females (grades K-4) about the incentive value of 10 objects (i.e. bubble gum, Chiclet, candy corn, dried lima bean) helped determine relative and absolute scales for use of these objects as rewards. The assumption that the same object is equally rewarding at different age levels may be unwarranted.…
Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy
Li, Tao E.; Nitzan, Abraham; Sukharev, Maxim
The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one- and three-dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. Here, we consider three flavors of mixed quantum-classical dynamics: (i) the classical path approximation (CPA), (ii) Ehrenfest dynamics, and (iii) symmetrical quasiclassical (SQC) dynamics. Our findings are as follows: (i) The CPA fails to recover a consistent description of spontaneous emission, (ii) a consistent “spontaneous” emission can be obtained from Ehrenfest dynamics, provided that one starts in an electronic superposition state, and (iii) spontaneous emission is always obtained using SQC dynamics. Using themore » SQC and Ehrenfest frameworks, we further calculate the dynamics following an incoming pulse, but here we find very different responses: SQC and Ehrenfest dynamics deviate sometimes strongly in the calculated rate of decay of the transient excited state. Nevertheless, our work confirms the earlier observations by Miller [J. Chem. Phys. 69, 2188 (1978)] that Ehrenfest dynamics can effectively describe some aspects of spontaneous emission and highlights interesting possibilities for studying light-matter interactions with semiclassical mechanics.« less
Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy
NASA Astrophysics Data System (ADS)
Li, Tao E.; Nitzan, Abraham; Sukharev, Maxim; Martinez, Todd; Chen, Hsing-Ta; Subotnik, Joseph E.
2018-03-01
The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one- and three-dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. We consider three flavors of mixed quantum-classical dynamics: (i) the classical path approximation (CPA), (ii) Ehrenfest dynamics, and (iii) symmetrical quasiclassical (SQC) dynamics. Our findings are as follows: (i) The CPA fails to recover a consistent description of spontaneous emission, (ii) a consistent "spontaneous" emission can be obtained from Ehrenfest dynamics, provided that one starts in an electronic superposition state, and (iii) spontaneous emission is always obtained using SQC dynamics. Using the SQC and Ehrenfest frameworks, we further calculate the dynamics following an incoming pulse, but here we find very different responses: SQC and Ehrenfest dynamics deviate sometimes strongly in the calculated rate of decay of the transient excited state. Nevertheless, our work confirms the earlier observations by Miller [J. Chem. Phys. 69, 2188 (1978), 10.1063/1.436793] that Ehrenfest dynamics can effectively describe some aspects of spontaneous emission and highlights interesting possibilities for studying light-matter interactions with semiclassical mechanics.
Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy
Li, Tao E.; Nitzan, Abraham; Sukharev, Maxim; ...
2018-03-12
The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one- and three-dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. Here, we consider three flavors of mixed quantum-classical dynamics: (i) the classical path approximation (CPA), (ii) Ehrenfest dynamics, and (iii) symmetrical quasiclassical (SQC) dynamics. Our findings are as follows: (i) The CPA fails to recover a consistent description of spontaneous emission, (ii) a consistent “spontaneous” emission can be obtained from Ehrenfest dynamics, provided that one starts in an electronic superposition state, and (iii) spontaneous emission is always obtained using SQC dynamics. Using themore » SQC and Ehrenfest frameworks, we further calculate the dynamics following an incoming pulse, but here we find very different responses: SQC and Ehrenfest dynamics deviate sometimes strongly in the calculated rate of decay of the transient excited state. Nevertheless, our work confirms the earlier observations by Miller [J. Chem. Phys. 69, 2188 (1978)] that Ehrenfest dynamics can effectively describe some aspects of spontaneous emission and highlights interesting possibilities for studying light-matter interactions with semiclassical mechanics.« less
Refraction corrections for surveying
NASA Technical Reports Server (NTRS)
Lear, W. M.
1979-01-01
Optical measurements of range and elevation angle are distorted by the earth's atmosphere. High precision refraction correction equations are presented which are ideally suited for surveying because their inputs are optically measured range and optically measured elevation angle. The outputs are true straight line range and true geometric elevation angle. The 'short distances' used in surveying allow the calculations of true range and true elevation angle to be quickly made using a programmable pocket calculator. Topics covered include the spherical form of Snell's Law; ray path equations; and integrating the equations. Short-, medium-, and long-range refraction corrections are presented in tables.
Corrections and clarifications.
1994-11-11
The 1994 and 1995 federal science budget appropriations for two of the activities were inadvertently transposed in a table that accompanied the article "Hitting the President's target is mixed blessing for agencies" by Jeffrey Mervis (News & Comment, 14 Oct., p. 211). The correct figures for Defense Department spending on university research are $1.460 billion in 1994 and $1.279 billion in 1995; for research and development at NASA, the correct figures are $9.455 billion in 1994 and $9.824 billion in 1995.
Wang, S.T.
1994-11-01
A wire cable assembly adapted for the winding of electrical coils is taught. A primary intended use is for use in particle tube assemblies for the Superconducting Super Collider. The correction coil cables have wires collected in wire array with a center rib sandwiched therebetween to form a core assembly. The core assembly is surrounded by an assembly housing having an inner spiral wrap and a counter wound outer spiral wrap. An alternate embodiment of the invention is rolled into a keystoned shape to improve radial alignment of the correction coil cable on a particle tube in a particle tube assembly. 7 figs.
Mated vertical ground vibration test
NASA Technical Reports Server (NTRS)
Ivey, E. W.
1980-01-01
The Mated Vertical Ground Vibration Test (MVGVT) was considered to provide an experimental base in the form of structural dynamic characteristics for the shuttle vehicle. This data base was used in developing high confidence analytical models for the prediction and design of loads, pogo controls, and flutter criteria under various payloads and operational missions. The MVGVT boost and launch program evolution, test configurations, and their suspensions are described. Test results are compared with predicted analytical results.
Surface hopping simulation of vibrational predissociation of methanol dimer
NASA Astrophysics Data System (ADS)
Jiang, Ruomu; Sibert, Edwin L.
2012-06-01
The mixed quantum-classical surface hopping method is applied to the vibrational predissociation of methanol dimer, and the results are compared to more exact quantum calculations. Utilizing the vibrational SCF basis, the predissociation problem is cast into a curve crossing problem between dissociative and quasibound surfaces with different vibrational character. The varied features of the dissociative surfaces, arising from the large amplitude OH torsion, generate rich predissociation dynamics. The fewest switches surface hopping algorithm of Tully [J. Chem. Phys. 93, 1061 (1990), 10.1063/1.459170] is applied to both diabatic and adiabatic representations. The comparison affords new insight into the criterion for selecting the suitable representation. The adiabatic method's difficulty with low energy trajectories is highlighted. In the normal crossing case, the diabatic calculations yield good results, albeit showing its limitation in situations where tunneling is important. The quadratic scaling of the rates on coupling strength is confirmed. An interesting resonance behavior is identified and is dealt with using a simple decoherence scheme. For low lying dissociative surfaces that do not cross the quasibound surface, the diabatic method tends to overestimate the predissociation rate whereas the adiabatic method is qualitatively correct. Analysis reveals the major culprits involve Rabi-like oscillation, treatment of classically forbidden hops, and overcoherence. Improvements of the surface hopping results are achieved by adopting a few changes to the original surface hopping algorithms.
Frequency Tuning of Vibration Absorber Using Topology Optimization
NASA Astrophysics Data System (ADS)
Harel, Swapnil Subhash
A tuned mass absorber is a system for reducing the amplitude in one oscillator by coupling it to a second oscillator. If tuned correctly, the maximum amplitude of the first oscillator in response to a periodic driver will be lowered, and much of the vibration will be 'transferred' to the second oscillator. The tuned vibration absorber (TVA) has been utilized for vibration control purposes in many sectors of Civil/Automotive/Aerospace Engineering for many decades since its inception. Time and again we come across a situation in which a vibratory system is required to run near resonance. In the past, approaches have been made to design such auxiliary spring mass tuned absorbers for the safety of the structures. This research focuses on the development and optimization of continuously tuned mass absorbers as a substitute to the discretely tuned mass absorbers (spring- mass system). After conducting the study of structural behavior, the boundary condition and frequency to which the absorber is to be tuned are determined. The Modal analysis approach is used to determine mode shapes and frequencies. The absorber is designed and optimized using the topology optimization tool, which simultaneously designs, optimizes and tunes the absorber to the desired frequency. The tuned, optimized absorber, after post processing, is attached to the target structure. The number of the absorbers are increased to amplify bandwidth and thereby upgrade the safety of structure for a wide range of frequency. The frequency response analysis is carried out using various combinations of structure and number of absorber cell.
Analytic calculations of anharmonic infrared and Raman vibrational spectra
Louant, Orian; Ruud, Kenneth
2016-01-01
Using a recently developed recursive scheme for the calculation of high-order geometric derivatives of frequency-dependent molecular properties [Ringholm et al., J. Comp. Chem., 2014, 35, 622], we present the first analytic calculations of anharmonic infrared (IR) and Raman spectra including anharmonicity both in the vibrational frequencies and in the IR and Raman intensities. In the case of anharmonic corrections to the Raman intensities, this involves the calculation of fifth-order energy derivatives—that is, the third-order geometric derivatives of the frequency-dependent polarizability. The approach is applicable to both Hartree–Fock and Kohn–Sham density functional theory. Using generalized vibrational perturbation theory to second order, we have calculated the anharmonic infrared and Raman spectra of the non- and partially deuterated isotopomers of nitromethane, where the inclusion of anharmonic effects introduces combination and overtone bands that are observed in the experimental spectra. For the major features of the spectra, the inclusion of anharmonicities in the calculation of the vibrational frequencies is more important than anharmonic effects in the calculated infrared and Raman intensities. Using methanimine as a trial system, we demonstrate that the analytic approach avoids errors in the calculated spectra that may arise if numerical differentiation schemes are used. PMID:26784673
Fourth-Order Vibrational Transition State Theory and Chemical Kinetics
NASA Astrophysics Data System (ADS)
Stanton, John F.; Matthews, Devin A.; Gong, Justin Z.
2015-06-01
Second-order vibrational perturbation theory (VPT2) is an enormously successful and well-established theory for treating anharmonic effects on the vibrational levels of semi-rigid molecules. Partially as a consequence of the fact that the theory is exact for the Morse potential (which provides an appropriate qualitative model for stretching anharmonicity), VPT2 calculations for such systems with appropriate ab initio potential functions tend to give fundamental and overtone levels that fall within a handful of wavenumbers of experimentally measured positions. As a consequence, the next non-vanishing level of perturbation theory -- VPT4 -- offers only slight improvements over VPT2 and is not practical for most calculations since it requires information about force constants up through sextic. However, VPT4 (as well as VPT2) can be used for other applications such as the next vibrational correction to rotational constants (the ``gammas'') and other spectroscopic parameters. In addition, the marriage of VPT with the semi-classical transition state theory of Miller (SCTST) has recently proven to be a powerful and accurate treatment for chemical kinetics. In this talk, VPT4-based SCTST tunneling probabilities and cumulative reaction probabilities are give for the first time for selected low-dimensional model systems. The prospects for VPT4, both practical and intrinsic, will also be discussed.
Tool-specific performance of vibration-reducing gloves for attenuating fingers-transmitted vibration
Welcome, Daniel E.; Dong, Ren G.; Xu, Xueyan S.; Warren, Christopher; McDowell, Thomas W.
2016-01-01
BACKGROUND Fingers-transmitted vibration can cause vibration-induced white finger. The effectiveness of vibration-reducing (VR) gloves for reducing hand transmitted vibration to the fingers has not been sufficiently examined. OBJECTIVE The objective of this study is to examine tool-specific performance of VR gloves for reducing finger-transmitted vibrations in three orthogonal directions (3D) from powered hand tools. METHODS A transfer function method was used to estimate the tool-specific effectiveness of four typical VR gloves. The transfer functions of the VR glove fingers in three directions were either measured in this study or during a previous study using a 3D laser vibrometer. More than seventy vibration spectra of various tools or machines were used in the estimations. RESULTS When assessed based on frequency-weighted acceleration, the gloves provided little vibration reduction. In some cases, the gloves amplified the vibration by more than 10%, especially the neoprene glove. However, the neoprene glove did the best when the assessment was based on unweighted acceleration. The neoprene glove was able to reduce the vibration by 10% or more of the unweighted vibration for 27 out of the 79 tools. If the dominant vibration of a tool handle or workpiece was in the shear direction relative to the fingers, as observed in the operation of needle scalers, hammer chisels, and bucking bars, the gloves did not reduce the vibration but increased it. CONCLUSIONS This study confirmed that the effectiveness for reducing vibration varied with the gloves and the vibration reduction of each glove depended on tool, vibration direction to the fingers, and finger location. VR gloves, including certified anti-vibration gloves do not provide much vibration reduction when judged based on frequency-weighted acceleration. However, some of the VR gloves can provide more than 10% reduction of the unweighted vibration for some tools or workpieces. Tools and gloves can be matched for
NASA Astrophysics Data System (ADS)
Gao, Pu; Xiang, Changle; Liu, Hui; Zhou, Han
2018-07-01
Based on a multiple degrees of freedom dynamic model of a vehicle powertrain system, natural vibration analyses and sensitivity analyses of the eigenvalues are performed to determine the key inertia for each natural vibration of a powertrain system. Then, the results are used to optimize the installation position of each adaptive tuned vibration absorber. According to the relationship between the variable frequency torque excitation and the natural vibration of a powertrain system, the entire vibration frequency band is divided into segments, and the auxiliary vibration absorber and dominant vibration absorber are determined for each sensitive frequency band. The optimum parameters of the auxiliary vibration absorber are calculated based on the optimal frequency ratio and the optimal damping ratio of the passive vibration absorber. The instantaneous change state of the natural vibrations of a powertrain system with adaptive tuned vibration absorbers is studied, and the optimized start and stop tuning frequencies of the adaptive tuned vibration absorber are obtained. These frequencies can be translated into the optimum parameters of the dominant vibration absorber. Finally, the optimal tuning scheme for the adaptive tuned vibration absorber group, which can be used to reduce the variable frequency vibrations of a powertrain system, is proposed, and corresponding numerical simulations are performed. The simulation time history signals are transformed into three-dimensional information related to time, frequency and vibration energy via the Hilbert-Huang transform (HHT). A comprehensive time-frequency analysis is then conducted to verify that the optimal tuning scheme for the adaptive tuned vibration absorber group can significantly reduce the variable frequency vibrations of a powertrain system.
Comparison of sEMG processing methods during whole-body vibration exercise.
Lienhard, Karin; Cabasson, Aline; Meste, Olivier; Colson, Serge S
2015-12-01
The objective was to investigate the influence of surface electromyography (sEMG) processing methods on the quantification of muscle activity during whole-body vibration (WBV) exercises. sEMG activity was recorded while the participants performed squats on the platform with and without WBV. The spikes observed in the sEMG spectrum at the vibration frequency and its harmonics were deleted using state-of-the-art methods, i.e. (1) a band-stop filter, (2) a band-pass filter, and (3) spectral linear interpolation. The same filtering methods were applied on the sEMG during the no-vibration trial. The linear interpolation method showed the highest intraclass correlation coefficients (no vibration: 0.999, WBV: 0.757-0.979) with the comparison measure (unfiltered sEMG during the no-vibration trial), followed by the band-stop filter (no vibration: 0.929-0.975, WBV: 0.661-0.938). While both methods introduced a systematic bias (P < 0.001), the error increased with increasing mean values to a higher degree for the band-stop filter. After adjusting the sEMG(RMS) during WBV for the bias, the performance of the interpolation method and the band-stop filter was comparable. The band-pass filter was in poor agreement with the other methods (ICC: 0.207-0.697), unless the sEMG(RMS) was corrected for the bias (ICC ⩾ 0.931, %LOA ⩽ 32.3). In conclusion, spectral linear interpolation or a band-stop filter centered at the vibration frequency and its multiple harmonics should be applied to delete the artifacts in the sEMG signals during WBV. With the use of a band-stop filter it is recommended to correct the sEMG(RMS) for the bias as this procedure improved its performance. Copyright © 2015 Elsevier Ltd. All rights reserved.
Bruck, Gerald J.; Bartolomeo, Daniel R.
2004-07-20
A reduced-vibration tube array is disclosed. The array includes a plurality of tubes in a fixed arrangement and a plurality of damping members positioned within the tubes. The damping members include contoured interface regions characterized by bracing points that selectively contact the inner surface of an associated tube. Each interface region is sized and shaped in accordance with the associated tube, so that the damping member bracing points are spaced apart a vibration-reducing distance from the associated tube inner surfaces at equilibrium. During operation, mechanical interaction between the bracing points and the tube inner surfaces reduces vibration by a damage-reducing degree. In one embodiment, the interface regions are serpentine shaped. In another embodiment, the interface regions are helical in shape. The interface regions may be simultaneously helical and serpentine in shape. The damping members may be fixed within the associated tubes, and damping member may be customized several interference regions having attributes chosen in accordance with desired flow characteristics and associated tube properties.
Physical and numerical investigation of the flow induced vibration of the hydrofoil
NASA Astrophysics Data System (ADS)
Wu, Q.; Wang, G. Y.; Huang, B.
2016-11-01
The objective of this paper is to investigate the flow induced vibration of a flexible hydrofoil in cavitating flows via combined experimental and numerical studies. The experiments are presented for the modified NACA66 hydrofoil made of POM Polyacetate in the closed-loop cavitation tunnel at Beijing Institute of Technology. The high-speed camera and the single point Laser Doppler Vibrometer are applied to analyze the transient flow structures and the corresponding structural vibration characteristics. The hybrid coupled fluid structure interaction model is conducted to couple the incompressible and unsteady Reynolds Averaged Navier-Stokes solver with a simplified two-degree-of-freedom structural model. The k-ω SST turbulence model with the turbulence viscosity correction and the Zwart cavitation model are introduced to the present simulations. The results showed that with the decreasing of the cavitation number, the cavitating flows display incipient cavitation, sheet cavitation, cloud cavitation and supercavitation. The vibration magnitude increases dramatically for the cloud cavitation and decline for the supercavitation. The cloud cavitation development strongly affects the vibration response, which is corresponding to the periodically developing and shedding of the large-scale cloud cavity. The main frequency of the vibration amplitude is accordance with the cavity shedding frequency and other two frequencies of the vibration amplitude are corresponding to the natural frequencies of the bending and twisting modes.
Cochlear Damages Caused by Vibration Exposure
Moussavi Najarkola, Seyyed Ali; Khavanin, Ali; Mirzaei, Ramazan; Salehnia, Mojdeh; Muhammadnejad, Ahad
2013-01-01
Background Many industrial devices have an excessive vibration which can affect human body systems. The effect of vibration on cochlear histology has been as a debatable problem in occupational health and medicine. Objectives Due to limitation present in human studies, the research was conducted to survey the influence of vibration on cochlear histology in an animal model. Materials and Methods Twelve albino rabbits were experimented as: Vibration group (n = 6; exposed to 1.0 m.s-2 r.m.s vertical whole-body vibration at 4 - 8 Hz for 8 hours per day during 5 consecutive days) versus Control group (n = 6; the same rabbits without vibration exposure). After finishing the exposure scenario, all rabbits were killed by CO2 inhalation; their cochleae were extracted and fixed in 10% formaldehyde for 48 hours, decalcified by 10% nitric acid for 24 hours. Specimens were dehydrated, embedded, sectioned 5 µm thick and stained with Hematoxylin and Eosin for light microscopy observations. Results Severely hydropic degenerated and vacuolated inner hair cells (IHCs) were observed in vibration group compared to the control group. Inter and intracellular edema was appeared in supporting cells (SC). Nuclei of outer hair cells (OHCs) seemed to be pyknotic. Slightly thickened basilar membrane (BM) was probably implied to inter cellular edematous. Tectorial Membrane (TM) was not affected pathologically. Conclusions Whole-body vibration could cause cochlear damages in male rabbits, though vibration-induced auditory functional effects might be resulted as subsequent outcome of prolonged high level vibration exposures. PMID:24616783
Ground test for vibration control demonstrator
NASA Astrophysics Data System (ADS)
Meyer, C.; Prodigue, J.; Broux, G.; Cantinaud, O.; Poussot-Vassal, C.
2016-09-01
In the objective of maximizing comfort in Falcon jets, Dassault Aviation is developing an innovative vibration control technology. Vibrations of the structure are measured at several locations and sent to a dedicated high performance vibration control computer. Control laws are implemented in this computer to analyse the vibrations in real time, and then elaborate orders sent to the existing control surfaces to counteract vibrations. After detailing the technology principles, this paper focuses on the vibration control ground demonstration that was performed by Dassault Aviation in May 2015 on Falcon 7X business jet. The goal of this test was to attenuate vibrations resulting from fixed forced excitation delivered by shakers. The ground test demonstrated the capability to implement an efficient closed-loop vibration control with a significant vibration level reduction and validated the vibration control law design methodology. This successful ground test was a prerequisite before the flight test demonstration that is now being prepared. This study has been partly supported by the JTI CleanSky SFWA-ITD.
Juvenile Offender Corrections Study.
ERIC Educational Resources Information Center
Michigan State Council on Vocational Education, Lansing.
The vocational education programs offered in Michigan's juvenile corrections institutions were reviewed. Information was collected from the following sources: review of student outcomes; student and teacher surveys; and team reviews and surveys of students at two residential training schools for juveniles (Maxley and Adrian training schools); site…
Refraction corrections for surveying
NASA Technical Reports Server (NTRS)
Lear, W. M.
1980-01-01
Optical measurements of range and elevation angles are distorted by refraction of Earth's atmosphere. Theoretical discussion of effect, along with equations for determining exact range and elevation corrections, is presented in report. Potentially useful in optical site surveying and related applications, analysis is easily programmed on pocket calculator. Input to equation is measured range and measured elevation; output is true range and true elevation.
New Directions in Corrections.
ERIC Educational Resources Information Center
McKee, John M.
A picture of the American prison situation in the past and in its present changing form is presented. The object of the correctional community is becoming more and more that of successfully reintegrating the ex-offender into the social community from which he has been separated. It is predicted that within the next five years: (1) Every state will…
ERIC Educational Resources Information Center
Joosten, Albert Max
2016-01-01
"Our primary concern is not that the child learns to do something without mistakes. Our real concern is that the child does what he needs, with interest." The reaction of so many adults to the mistakes of children is to correct, immediately and directly, says Joosten. To truly aid the child in development, we must learn to control our…
NASA Astrophysics Data System (ADS)
Sand, D.
2018-05-01
In Atel #11665 we reported the wrong RA coordinate for the transient DLT18x/AT 2018bwo. The correct coordinates for the transient are - RA: 00:14:01.68 DEC: -23:11:35.38. We apologize for any inconvenience.
Using the Saturn V and Titan III Vibroacoustic Databanks for Random Vibration Criteria Development
NASA Technical Reports Server (NTRS)
Ferbee, R C.
2009-01-01
This is an update to TN D-7159, "Development and Application of Vibroacoustic Structural Data Banks in Predicting Vibration Design and Test Criteria for Rocket Vehicle Structures", which was originally published in 1973. Errors in the original document have been corrected and additional data from the Titan III program have been included. Methods for using the vibroacoustic databanks for vibration test criteria development are shown, as well as all of the data with drawings and pictures of the measurement locations. An Excel spreadsheet with the data included is available from the author.
N2 Temperature of Vibration instrument for sounding rocket observation in the lower thermosphere
NASA Astrophysics Data System (ADS)
Kurihara, J.; Iwagami, N.; Oyama, K.-I.
2013-11-01
The N2 Temperature of Vibration (NTV) instrument was developed to study energetics and structure of the lower thermosphere, applying the Electron Beam Fluorescence (EBF) technique to measurements of vibrational temperature, rotational temperature and number density of atmospheric N2. The sounding rocket experiments using this instrument have been conducted four times, including one failure of the electron gun. Aerodynamic effects on the measurement caused by the supersonic motion of the rocket were analyzed quantitatively using three-dimensional simulation of Direct Simulation Monte Carlo (DSMC) method, and the absolute density profile was obtained through the correction of the spin modulation.
Issues in Correctional Training and Casework. Correctional Monograph.
ERIC Educational Resources Information Center
Wolford, Bruce I., Ed.; Lawrenz, Pam, Ed.
The eight papers contained in this monograph were drawn from two national meetings on correctional training and casework. Titles and authors are: "The Challenge of Professionalism in Correctional Training" (Michael J. Gilbert); "A New Perspective in Correctional Training" (Jack Lewis); "Reasonable Expectations in Correctional Officer Training:…
Vibration syndrome in chipping and grinding workers.
1984-10-01
A clear conclusion from these studies is that vibration syndrome occurs in chipping and grinding workers in this country and that earlier reports that it may not exist were probably inaccurate. The careful selection of exposed and control groups for analysis strengthens the observed association between vibration syndrome and the occupational use of pneumatic chipping hammers and grinding tools. In the foundry populations studied the vibration syndrome was severe, with short latencies and high prevalences of the advanced stages. The shipyard population did not display this pattern. This difference can be attributed to variations in work practices but the more important factor seems to be the effect of incentive work schedules. Comparisons of groups of hourly and incentive workers from the shipyard and within foundry populations consistently demonstrated that incentive work was associated with increased severity of vibration syndrome. Excessive vibration levels were measured on chipping and grinding tools. Of the factors studied, reduction of throttle level decreased the vibration levels measured on chipping hammers. For grinders, the working condition of the tool affected the measured vibration acceleration levels. Grinders receiving average to poor maintenance showed higher vibration levels. The results of objective clinical testing did not yield tests with diagnostic properties. To date, the clinical judgment of the physician remains the primary focus of the diagnosis of vibration syndrome. A number of actions can be taken to prevent vibration syndrome. Preplacement medical examinations can identify workers predisposed to or experiencing Raynaud's phenomenon or disease. Informing employees and employers about the signs, symptoms, and consequences of vibration syndrome can encourage workers to report the condition to their physicians promptly. Engineering approaches to preventing vibration syndrome include increased quality control on castings to reduce finishing
Vibration-type particle separation device with piezoceramic vibrator
NASA Astrophysics Data System (ADS)
Ooe, Katsutoshi; Doi, Akihiro
2008-12-01
During hemanalysis, it is necessary to separate blood cells from whole blood. Many blood separation methods, for example, centrifugation and filtering, are in practical use. However, the use of these methods involves problems from the perspectives of processing speed and processing volume. We develop new types of blood separation devices that use piezo-ceramic vibrators. The first device uses a capillary. One end of the capillary is fixed to the device frame, and the other is fixed to a piezo-ceramic vibrator. The vibrator transmits bending waves to the capillary. This device can process only a small amount of solution; therefore, it is not suitable for hemanalysis. In order to solve this problem, we developed a second device; this device has a pair of thin glass plates with a small gap as a substitute for the capillary used in the first device. These devices are based on the fact that particles heavier than water move toward transverse velocity antinodes while those lighter than water move toward velocity nodes. In this report, we demonstrate the highspeed separation of silica microbeads and 50-vol% glycerol water by using these devices. The first device can separate the abovementioned solution within 3 min while the second can separate it within 1 min. Both devices are driven by a rectangular wave of 15 to 20 Vpp. Furthermore, it has been confirmed that red blood cells are separated from diluted whole blood using the first device within approximately 1 min. These devices have transparency, so they can compose as the analysis system with the chemical analyzer easily.
Fedorov, Dmitry A.; Varganov, Sergey A., E-mail: svarganov@unr.edu; Derevianko, Andrei
2014-05-14
We calculate the potential energy curves, the permanent dipole moment curves, and the lifetimes of the ground and excited vibrational states of the heteronuclear alkali dimers XY (X, Y = Li, Na, K, Rb, Cs) in the X{sup 1}Σ{sup +} electronic state using the coupled cluster with singles doubles and triples method. All-electron quadruple-ζ basis sets with additional core functions are used for Li and Na, and small-core relativistic effective core potentials with quadruple-ζ quality basis sets are used for K, Rb, and Cs. The inclusion of the coupled cluster non-perturbative triple excitations is shown to be crucial for obtainingmore » the accurate potential energy curves. A large one-electron basis set with additional core functions is needed for the accurate prediction of permanent dipole moments. The dissociation energies are overestimated by only 14 cm{sup −1} for LiNa and by no more than 114 cm{sup −1} for the other molecules. The discrepancies between the experimental and calculated harmonic vibrational frequencies are less than 1.7 cm{sup −1}, and the discrepancies for the anharmonic correction are less than 0.1 cm{sup −1}. We show that correlation between atomic electronegativity differences and permanent dipole moment of heteronuclear alkali dimers is not perfect. To obtain the vibrational energies and wave functions the vibrational Schrödinger equation is solved with the B-spline basis set method. The transition dipole moments between all vibrational states, the Einstein coefficients, and the lifetimes of the vibrational states are calculated. We analyze the decay rates of the vibrational states in terms of spontaneous emission, and stimulated emission and absorption induced by black body radiation. In all studied heteronuclear alkali dimers the ground vibrational states have much longer lifetimes than any excited states.« less
Coupled rotor/airframe vibration analysis
NASA Technical Reports Server (NTRS)
Sopher, R.; Studwell, R. E.; Cassarino, S.; Kottapalli, S. B. R.
1982-01-01
A coupled rotor/airframe vibration analysis developed as a design tool for predicting helicopter vibrations and a research tool to quantify the effects of structural properties, aerodynamic interactions, and vibration reduction devices on vehicle vibration levels is described. The analysis consists of a base program utilizing an impedance matching technique to represent the coupled rotor/airframe dynamics of the system supported by inputs from several external programs supplying sophisticated rotor and airframe aerodynamic and structural dynamic representation. The theoretical background, computer program capabilities and limited correlation results are presented in this report. Correlation results using scale model wind tunnel results show that the analysis can adequately predict trends of vibration variations with airspeed and higher harmonic control effects. Predictions of absolute values of vibration levels were found to be very sensitive to modal characteristics and results were not representative of measured values.
Asynchronous vibration problem of centrifugal compressor
NASA Technical Reports Server (NTRS)
Fujikawa, T.; Ishiguro, N.; Ito, M.
1980-01-01
An unstable asynchronous vibration problem in a high pressure centrifugal compressor and the remedial actions against it are described. Asynchronous vibration of the compressor took place when the discharge pressure (Pd) was increased, after the rotor was already at full speed. The typical spectral data of the shaft vibration indicate that as the pressure Pd increases, pre-unstable vibration appears and becomes larger, and large unstable asynchronous vibration occurs suddenly (Pd = 5.49MPa). A computer program was used which calculated the logarithmic decrement and the damped natural frequency of the rotor bearing systems. The analysis of the log-decrement is concluded to be effective in preventing unstable vibration in both the design stage and remedial actions.
Unjamming a granular hopper by vibration
NASA Astrophysics Data System (ADS)
Janda, A.; Maza, D.; Garcimartín, A.; Kolb, E.; Lanuza, J.; Clément, E.
2009-07-01
We present an experimental study of the outflow of a hopper continuously vibrated by a piezoelectric device. Outpouring of grains can be achieved for apertures much below the usual jamming limit observed for non-vibrated hoppers. Granular flow persists down to the physical limit of one grain diameter, a limit reached for a finite vibration amplitude. For the smaller orifices, we observe an intermittent regime characterized by alternated periods of flow and blockage. Vibrations do not significantly modify the flow rates both in the continuous and the intermittent regime. The analysis of the statistical features of the flowing regime shows that the flow time significantly increases with the vibration amplitude. However, at low vibration amplitude and small orifice sizes, the jamming time distribution displays an anomalous statistics.
New PDC bit design reduces vibrational problems
Mensa-Wilmot, G.; Alexander, W.L.
1995-05-22
A new polycrystalline diamond compact (PDC) bit design combines cutter layout, load balancing, unsymmetrical blades and gauge pads, and spiraled blades to reduce problematic vibrations without limiting drilling efficiency. Stabilization improves drilling efficiency and also improves dull characteristics for PDC bits. Some PDC bit designs mitigate one vibrational mode (such as bit whirl) through drilling parameter manipulation yet cause or excite another vibrational mode (such as slip-stick). An alternative vibration-reducing concept which places no limitations on the operational environment of a PDC bit has been developed to ensure optimization of the bit`s available mechanical energy. The paper discusses bit stabilization,more » vibration reduction, vibration prevention, cutter arrangement, load balancing, blade layout, spiraled blades, and bit design.« less
Coupling between plate vibration and acoustic radiation
NASA Technical Reports Server (NTRS)
Frendi, Abdelkader; Maestrello, Lucio; Bayliss, Alvin
1992-01-01
A detailed numerical investigation of the coupling between the vibration of a flexible plate and the acoustic radiation is performed. The nonlinear Euler equations are used to describe the acoustic fluid while the nonlinear plate equation is used to describe the plate vibration. Linear, nonlinear, and quasi-periodic or chaotic vibrations and the resultant acoustic radiation are analyzed. We find that for the linear plate response, acoustic coupling is negligible. However, for the nonlinear and chaotic responses, acoustic coupling has a significant effect on the vibration level as the loading increases. The radiated pressure from a plate undergoing nonlinear or chaotic vibrations is found to propagate nonlinearly into the far-field. However, the nonlinearity due to wave propagation is much weaker than that due to the plate vibrations. As the acoustic wave propagates into the far-field, the relative difference in level between the fundamental and its harmonics and subharmonics decreases with distance.
Actively controlled vibration welding system and method
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.
Identification of Bearing Failure Using Signal Vibrations
NASA Astrophysics Data System (ADS)
Yani, Irsyadi; Resti, Yulia; Burlian, Firmansyah
2018-04-01
Vibration analysis can be used to identify damage to mechanical systems such as journal bearings. Identification of failure can be done by observing the resulting vibration spectrum by measuring the vibration signal occurring in a mechanical system Bearing is one of the engine elements commonly used in mechanical systems. The main purpose of this research is to monitor the bearing condition and to identify bearing failure on a mechanical system by observing the resulting vibration. Data collection techniques based on recordings of sound caused by the vibration of the mechanical system were used in this study, then created a database system based bearing failure due to vibration signal recording sounds on a mechanical system The next step is to group the bearing damage by type based on the databases obtained. The results show the percentage of success in identifying bearing damage is 98 %.
Dracínský, Martin; Kaminský, Jakub; Bour, Petr
2009-03-07
Relative importance of anharmonic corrections to molecular vibrational energies, nuclear magnetic resonance (NMR) chemical shifts, and J-coupling constants was assessed for a model set of methane derivatives, differently charged alanine forms, and sugar models. Molecular quartic force fields and NMR parameter derivatives were obtained quantum mechanically by a numerical differentiation. In most cases the harmonic vibrational function combined with the property second derivatives provided the largest correction of the equilibrium values, while anharmonic corrections (third and fourth energy derivatives) were found less important. The most computationally expensive off-diagonal quartic energy derivatives involving four different coordinates provided a negligible contribution. The vibrational corrections of NMR shifts were small and yielded a convincing improvement only for very accurate wave function calculations. For the indirect spin-spin coupling constants the averaging significantly improved already the equilibrium values obtained at the density functional theory level. Both first and complete second shielding derivatives were found important for the shift corrections, while for the J-coupling constants the vibrational parts were dominated by the diagonal second derivatives. The vibrational corrections were also applied to some isotopic effects, where the corrected values reasonably well reproduced the experiment, but only if a full second-order expansion of the NMR parameters was included. Contributions of individual vibrational modes for the averaging are discussed. Similar behavior was found for the methane derivatives, and for the larger and polar molecules. The vibrational averaging thus facilitates interpretation of previous experimental results and suggests that it can make future molecular structural studies more reliable. Because of the lengthy numerical differentiation required to compute the NMR parameter derivatives their analytical implementation in
The multi-axis vibration environment and man.
Lovesey, E J
1970-12-01
Many investigations into the effects of vibration on man have been performed since Mallock's first study of London Underground vibrations in 1902. The vibration research has tended to be confined to the vertical (heave) axis, yet recent experiments have indicated that low frequency vibration along the lateral (sway) axis has a greater adverse effect upon comfort and performance. Measurements of the vibration environments in current forms of transport including motor vehicles, hovercraft and aircraft etc have shown that appreciable quantities of vibration along all three axes exist. Further vibration research should consider the effects of multi-axis vibrations upon man rather than limit tests to single axis vibration.
Centaur liquid oxygen boost pump vibration test
NASA Technical Reports Server (NTRS)
Tang, H. M.
1975-01-01
The Centaur LOX boost pump was subjected to both the simulated Titan Centaur proof flight and confidence demonstration vibration test levels. For each test level, both sinusoidal and random vibration tests were conducted along each of the three orthogonal axes of the pump and turbine assembly. In addition to these tests, low frequency longitudinal vibration tests for both levels were conducted. All tests were successfully completed without damage to the boost pump.
Non-Synchronous Vibration of Turbomachinery Airfoils
2006-03-01
study and prevention of non-synchronous vibrations. Non-synchronous vibrations in turbine engine blades are the result of the interaction of an...was a modern fan vane blade known as the H2 case. This blade encountered NSV in experimental rig testing. An analysis was performed with TURBO ...design stage for flow over turbine engine blades . REFERENCES Anagnostopoulos, P., ed. Flow-Induced Vibrations in Engineering
Simultaneous Vibration Suppression and Energy Harvesting
2013-08-15
D.J., 2011. “Modeling and Analysis of Piezoelectric Energy Harvesting from Aeroelastic Vibrations Using the Doublet-Lattice Method,” ASME Journal...Friswell, M. I., and Inman, D. J., 2009, “ Piezoelectric Energy Harvesting from Broadband Random Vibrations ,” Smart Materials and Structures, Vol. 18...and Electrode Configuration on Piezoelectric Energy Harvesting from Cantilevered Beams,” ASME Journal of Vibration and Acoustics, Vol. 131, No. 1, pp
Ground vibrations from heavy freight trains
NASA Astrophysics Data System (ADS)
Dawn, T. M.
1983-03-01
Ground vibration from heavy freight trains on good quality welded track are found to have only a weak dependence on train speed above 30 km/h. At the site on which these tests were carried out a critical speed was found at which the vibration reached a peak. The frequencies of vibration produced appear to be functions of track and vehicle dimensions and the critical speed occurs at the coincidence of sleeper passage frequency and the total vehicle on track resonance frequency.
75 FR 16516 - Dates Correction
Federal Register 2010, 2011, 2012, 2013, 2014
2010-04-01
... NATIONAL ARCHIVES AND RECORDS ADMINISTRATION Office of the Federal Register Dates Correction Correction In the Notices section beginning on page 15401 in the issue of March 29th, 2010, make the following correction: On pages 15401 through 15499, the date at the top of each page is corrected to read...
Wang, Sou-Tien
1994-11-01
A wire cable assembly (10, 310) adapted for the winding of electrical coils is taught. A primary intended use is for use in particle tube assemblies (532) for the superconducting super collider. The correction coil cables (10, 310) have wires (14, 314) collected in wire arrays (12, 312) with a center rib (16, 316) sandwiched therebetween to form a core assembly (18, 318 ). The core assembly (18, 318) is surrounded by an assembly housing (20, 320) having an inner spiral wrap (22, 322) and a counter wound outer spiral wrap (24, 324). An alternate embodiment (410) of the invention is rolled into a keystoned shape to improve radial alignment of the correction coil cable (410) on a particle tube (733) in a particle tube assembly (732).
High force vibration testing with wide frequency range
Romero, Edward F.; Jepsen, Richard A.; Gregory, Danny Lynn
2013-04-02
A shaker assembly for vibration testing includes first and second shakers, where the first shaker includes a piezo-electric material for generating vibration. A support structure permits a test object to be supported for vibration of the test object by both shakers. An input permits an external vibration controller to control vibration of the shakers.
Computer animation of modal and transient vibrations
NASA Technical Reports Server (NTRS)
Lipman, Robert R.
1987-01-01
An interactive computer graphics processor is described that is capable of generating input to animate modal and transient vibrations of finite element models on an interactive graphics system. The results from NASTRAN can be postprocessed such that a three dimensional wire-frame picture, in perspective, of the finite element mesh is drawn on the graphics display. Modal vibrations of any mode shape or transient motions over any range of steps can be animated. The finite element mesh can be color-coded by any component of displacement. Viewing parameters and the rate of vibration of the finite element model can be interactively updated while the structure is vibrating.
Coal storage hopper with vibrating screen agitator
Daw, Charles S.; Lackey, Mack E.; Sy, Ronald L.
1984-01-01
The present invention is directed to a vibrating screen agitator in a coal storage hopper for assuring the uniform feed of coal having sufficient moisture content to effect agglomeration and bridging thereof in the coal hopper from the latter onto a conveyor mechanism. The vibrating screen agitator is provided by a plurality of transversely oriented and vertically spaced apart screens in the storage hopper with a plurality of vertically oriented rods attached to the screens. The rods are vibrated to effect the vibration of the screens and the breaking up of agglomerates in the coal which might impede the uniform flow of the coal from the hopper onto a conveyer.
The Efficacy of Anti-vibration Gloves
Hewitt, Sue; Dong, Ren; McDowell, Tom; Welcome, Daniel
2016-01-01
Anyone seeking to control the risks from vibration transmitted to the hands and arms may contemplate the use of anti-vibration gloves. To make an informed decision about any type of personal protective equipment, it is necessary to have performance data that allow the degree of protection to be estimated. The information provided with an anti-vibration glove may not be easy to understand without some background knowledge of how gloves are tested and does not provide any clear route for estimating likely protection. Some of the factors that influence the potential efficacy of an anti-vibration glove include how risks from hand–arm vibration exposure are assessed, how the standard test for a glove is carried out, the frequency range and direction of the vibration for which protection is sought, how much hand contact force or pressure is applied and the physical limitations due to glove material and construction. This paper reviews some of the background issues that are useful for potential purchasers of anti-vibration gloves. Ultimately, anti-vibration gloves cannot be relied on to provide sufficient and consistent protection to the wearer and before their use is contemplated all other available means of vibration control ought first to be implemented. PMID:27582615
Computational vibrational study on coordinated nicotinamide
NASA Astrophysics Data System (ADS)
Bolukbasi, Olcay; Akyuz, Sevim
2005-06-01
The molecular structure and vibrational spectra of zinc (II) halide complexes of nicotinamide (ZnX 2(NIA) 2; X=Cl or Br; NIA=Nicotinamide) were investigated by computational vibrational study and scaled quantum mechanical (SQM) analysis. The geometry optimisation and vibrational wavenumber calculations of zinc halide complexes of nicotinamide were carried out by using the DFT/RB3LYP level of theory with 6-31G(d,p) basis set. The calculated wavenumbers were scaled by using scaled quantum mechanical (SQM) force field method. The fundamental vibrational modes were characterised by their total energy distribution. The coordination effects on nicotinamide through the ring nitrogen were discussed.
Surface acoustic wave (SAW) vibration sensors.
Filipiak, Jerzy; Solarz, Lech; Steczko, Grzegorz
2011-01-01
In the paper a feasibility study on the use of surface acoustic wave (SAW) vibration sensors for electronic warning systems is presented. The system is assembled from concatenated SAW vibration sensors based on a SAW delay line manufactured on a surface of a piezoelectric plate. Vibrations of the plate are transformed into electric signals that allow identification of the sensor and localization of a threat. The theoretical study of sensor vibrations leads us to the simple isotropic model with one degree of freedom. This model allowed an explicit description of the sensor plate movement and identification of the vibrating sensor. Analysis of frequency response of the ST-cut quartz sensor plate and a damping speed of its impulse response has been conducted. The analysis above was the basis to determine the ranges of parameters for vibrating plates to be useful in electronic warning systems. Generally, operation of electronic warning systems with SAW vibration sensors is based on the analysis of signal phase changes at the working frequency of delay line after being transmitted via two circuits of concatenated four-terminal networks. Frequencies of phase changes are equal to resonance frequencies of vibrating plates of sensors. The amplitude of these phase changes is proportional to the amplitude of vibrations of a sensor plate. Both pieces of information may be sent and recorded jointly by a simple electrical unit.
Human response to vibration in residential environments.
Waddington, David C; Woodcock, James; Peris, Eulalia; Condie, Jenna; Sica, Gennaro; Moorhouse, Andrew T; Steele, Andy
2014-01-01
This paper presents the main findings of a field survey conducted in the United Kingdom into the human response to vibration in residential environments. The main aim of this study was to derive exposure-response relationships for annoyance due to vibration from environmental sources. The sources of vibration considered in this paper are railway and construction activity. Annoyance data were collected using questionnaires conducted face-to-face with residents in their own homes. Questionnaires were completed with residents exposed to railway induced vibration (N = 931) and vibration from the construction of a light rail system (N = 350). Measurements of vibration were conducted at internal and external positions from which estimates of 24-h vibration exposure were derived for 1073 of the case studies. Sixty different vibration exposure descriptors along with 6 different frequency weightings were assessed as potential predictors of annoyance. Of the exposure descriptors considered, none were found to be a better predictor of annoyance than any other. However, use of relevant frequency weightings was found to improve correlation between vibration exposure and annoyance. A unified exposure-response relationship could not be derived due to differences in response to the two sources so separate relationships are presented for each source.
Experiments In Characterizing Vibrations Of A Structure
NASA Technical Reports Server (NTRS)
Yam, Yeung; Hadaegh, Fred Y.; Bayard, David S.
1993-01-01
Report discusses experiments conducted to test methods of identification of vibrational and coupled rotational/vibrational modes of flexible structure. Report one in series that chronicle development of integrated system of methods, sensors, actuators, analog and digital signal-processing equipment, and algorithms to suppress vibrations in large, flexible structure even when dynamics of structure partly unknown and/or changing. Two prior articles describing aspects of research, "Autonomous Frequency-Domain Indentification" (NPO-18099), and "Automated Characterization Of Vibrations Of A Structure" (NPO-18141).
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.
Nawratil, Georg
2014-01-01
In 1898, Ernest Duporcq stated a famous theorem about rigid-body motions with spherical trajectories, without giving a rigorous proof. Today, this theorem is again of interest, as it is strongly connected with the topic of self-motions of planar Stewart–Gough platforms. We discuss Duporcq's theorem from this point of view and demonstrate that it is not correct. Moreover, we also present a revised version of this theorem. PMID:25540467
NASA Technical Reports Server (NTRS)
Hinds, Erold W. (Principal Investigator)
1996-01-01
This report describes the progress made towards the completion of a specific task on error-correcting coding. The proposed research consisted of investigating the use of modulation block codes as the inner code of a concatenated coding system in order to improve the overall space link communications performance. The study proposed to identify and analyze candidate codes that will complement the performance of the overall coding system which uses the interleaved RS (255,223) code as the outer code.
Vibrational-vibrational coupling in air at low humidities
NASA Technical Reports Server (NTRS)
Zuckerwar, Allan J.; Miller, Keith W.
1988-01-01
Calculations of sound absorption in air are traditionally based on the assumption that molecular relaxations in N2 and O2 are independent. In binary mixtures of these two gases, however, they are not independent; rather, molecular relaxation is known to be controlled by a very strong vibrational-vibrational (V-V) coupling, which influences both the relaxation frequencies and the relaxation strengths. This article shows that small concentrations of the air constituents CO2 and H2O, which themselves possess a strong V-V coupling to N2 and O2, serve to decouple the N2 and O2 relaxations. To characterize the N2-O2 coupling a coupling strength is derived which depends upon the constituent concentrations and the related reaction rate constants. It is found that the molecular relaxations associated with N2 and O2 in air experience a gradual transition from strong to weak coupling as the humidity increases beyond approximately 0.001 mole percent.
Vibration fatigue using modal decomposition
NASA Astrophysics Data System (ADS)
Mršnik, Matjaž; Slavič, Janko; Boltežar, Miha
2018-01-01
Vibration-fatigue analysis deals with the material fatigue of flexible structures operating close to natural frequencies. Based on the uniaxial stress response, calculated in the frequency domain, the high-cycle fatigue model using the S-N curve material data and the Palmgren-Miner hypothesis of damage accumulation is applied. The multiaxial criterion is used to obtain the equivalent uniaxial stress response followed by the spectral moment approach to the cycle-amplitude probability density estimation. The vibration-fatigue analysis relates the fatigue analysis in the frequency domain to the structural dynamics. However, once the stress response within a node is obtained, the physical model of the structure dictating that response is discarded and does not propagate through the fatigue-analysis procedure. The structural model can be used to evaluate how specific dynamic properties (e.g., damping, modal shapes) affect the damage intensity. A new approach based on modal decomposition is presented in this research that directly links the fatigue-damage intensity with the dynamic properties of the system. It thus offers a valuable insight into how different modes of vibration contribute to the total damage to the material. A numerical study was performed showing good agreement between results obtained using the newly presented approach with those obtained using the classical method, especially with regards to the distribution of damage intensity and critical point location. The presented approach also offers orders of magnitude faster calculation in comparison with the conventional procedure. Furthermore, it can be applied in a straightforward way to strain experimental modal analysis results, taking advantage of experimentally measured strains.
Vibration analysis in reciprocating compressors
NASA Astrophysics Data System (ADS)
Kacani, V.
2017-08-01
This paper presents the influence of modelling on the mechanical natural frequencies, the effect of inertia loads on the structure vibration, the impact of the crank gear damping on speed fluctuation to ensure a safe operation and increasing the reliability of reciprocating compressors. In this paper it is shown, that conventional way of modelling is not sufficient. For best results it is required to include the whole system (bare block, frame, coupling, main driver, vessels, pipe work, etc.) in the model (see results in Table 1).
Nozzle flow with vibrational nonequilibrium
NASA Technical Reports Server (NTRS)
Heinbockel, J. H.; Landry, J. G.
1995-01-01
This research concerns the modeling and numerical solutions of the coupled system of compressible Navier-Stokes equations in cylindrical coordinates under conditions of equilibrium and nonequilibrium thermodynamics. The problem considered was the modeling of a high temperature diatomic gas N2 flowing through a converging-diverging high expansion nozzle. The problem was modeled in two ways. The first model uses a single temperature with variable specific heats as functions of this temperature. For the second model we assume that the various degrees of freedom all have a Boltzmann distribution and that there is a continuous redistribution of energy among the various degrees of freedom as the gas passes through the nozzle. Each degree of freedom is assumed to have its own temperature and, consequently, each system state can be characterized by these temperatures. This suggests that formulation of a second model with a vibrational degree of freedom along with a rotational-translation degree of freedom, each degree of freedom having its own temperature. Initially the vibrational degree of freedom is excited by heating the gas to a high temperature. As the high temperature gas passes through the nozzle throat there is a sudden drop in temperature along with a relaxation time for the vibrational degree of freedom to achieve equilibrium with the rotational-translation degree of freedom. That is, we assume that the temperature change upon passing through the throat is so great that the changes in the vibrational degree of freedom occur at a much slower pace and consequently lags behind the rotational-translational energy changes. This lag results in a finite relaxation time. In this context the term nonequilibrium is used to denote the fact that the energy content of the various degrees of freedom are characterized by two temperatures. We neglect any chemical reactions which could also add nonequilibrium effects. We develop the energy equations for the nonequilibrium model
Nonlinear vibration absorption for a flexible arm via a virtual vibration absorber
NASA Astrophysics Data System (ADS)
Bian, Yushu; Gao, Zhihui
2017-07-01
A semi-active vibration absorption method is put forward to attenuate nonlinear vibration of a flexible arm based on the internal resonance. To maintain the 2:1 internal resonance condition and the desirable damping characteristic, a virtual vibration absorber is suggested. It is mathematically equivalent to a vibration absorber but its frequency and damping coefficients can be readily adjusted by simple control algorithms, thereby replacing those hard-to-implement mechanical designs. Through theoretical analyses and numerical simulations, it is proven that the internal resonance can be successfully established for the flexible arm, and the vibrational energy of flexible arm can be transferred to and dissipated by the virtual vibration absorber. Finally, experimental results are presented to validate the theoretical predictions. Since the proposed method absorbs rather than suppresses vibrational energy of the primary system, it is more convenient to reduce strong vibration than conventional active vibration suppression methods based on smart material actuators with limited energy output. Furthermore, since it aims to establish an internal vibrational energy transfer channel from the primary system to the vibration absorber rather than directly respond to external excitations, it is especially applicable for attenuating nonlinear vibration excited by unpredictable excitations.
NASA Astrophysics Data System (ADS)
Kirichok, I. F.
2017-09-01
Forced axisymmetric resonant vibrations and vibrational heating of viscoelastic, physically nonlinear, closed, spherical, and infinitely long cylindrical shells and ring with piezoelectric sensor and actuator are considered. The effect of physical nonlinearity of passive material on the vibration amplitude and vibrational heating temperature is studied. The possibility of active damping of vibrations by piezoelectric sensors and actuators is demonstrated.
NASA Technical Reports Server (NTRS)
Clevenson, S. A.; Leatherwood, J. D.; Hollenbaugh, D. D.
1983-01-01
The results of physical measurements of the interior noise and vibration obtained within eight operational military helicopters are presented. The data were extensively analyzed and are presented in the following forms: noise and vibration spectra, overall root-mean-square acceleration levels in three linear axes, peak accelerations at dominant blade passage frequencies, acceleration exceedance data, and overall and ""A'' weighted sound pressure levels. Peak acceleration levels were compared to the ISO 1-hr reduced comfort and fatigue decreased proficiency boundaries and the NASA discomfort criteria. The ""A'' weighted noise levels were compared to the NASA annoyance criteria, and the overall noise spectra were compared to MIL-STD-1294 (""Acoustical Noise Limits in Helicopters''). Specific vibration components at blade passage frequencies for several aircraft exceeded both the ISO reduced comfort boundary and the NASA passenger discomfort criteria. The ""A'' weighted noise levels, corrected for SPH-4 helmet attenuation characteristics, exceeded the NASA annoyance threshold for several aircraft.
Vibration Testing of Stirling Power Convertors
NASA Technical Reports Server (NTRS)
Hughes, Bill; Goodnight, Thomas; McNelis, Mark E.; Suarez, Vicente J.; Schreiber, Jeff; Samorezov, Sergey
2003-01-01
The NASA John H. Glenn Research Center (GRC) and the U.S. Department of Energy (DOE) are currently developing a high efficient, long life, free piston Stirling convertor for use as an advanced spacecraft power system for future NASA missions. As part of this development, a Stirling Technology Demonstrator Convertor (TDC), developed by Stirling Technology Company (STC) for DOE, was vibration tested at GRC s Structural Dynamics Laboratory (SDU7735) in November- December 1999. This testing demonstrated that the Stirling TDC is able to withstand the harsh random vibration (20 to 2000 Hertz) seen during a typical spacecraft launch and survive with no structural damage or functional power performance degradation, thereby enabling its usage in future spacecraft power systems. The Stirling Vibration Test Team at NASA GRC and STC personnel conducted tests on a single 55 electric watt TDC. The purpose was to characterize the TDC s structural response to vibration and determine if the TDC could survive the vibration criteria established by the Jet Propulsion Laboratory (JPL) for launch environments. The TDC was operated at full-stroke and full power conditions during the vibration testing. The TDC was tested in two orientations, with the direction of vibration parallel and perpendicular to the TDC s moving components (displacer and piston). The TDC successfully passed a series of sine and random vibration tests. The most severe test was a 12.3 Grms random vibration test (peak vibration level of 0.2 g2/Hz from 50 to 250 Hertz) with test durations of 3 minutes per axis. The random vibration test levels were chosen to simulate, with margin, the maximum anticipated launch vibration conditions. As a result of this very successful vibration testing and successful evaluations in other key technical readiness areas, the Stirling power system is now considered a viable technology for future application for NASA spacecraft missions. Possible usage of the Stirling power system would be
Vibration syndrome in railway track maintenance workers.
Virokannas, H; Anttonen, H; Niskanen, J
1995-01-01
An inquiry was sent to all railway maintenance workers in three railway districts in Finland and hand-arm vibration was measured on the handlebars of tools used by maintenance workers. The study group included 252 (82%) subjects, whose mean age was 41 years and who had worked in track maintenance for 14 years (SD 9). In Finland there are over 600 railway maintenance workers who use vibrating tools. The frequency-weighted acceleration of hand-arm vibration was calculated according to the ISO 5349 standard. Hand-held tamping machines had caused most of the vibration exposure, and aw4h was 10.6 m/s2 measured on the handlebar of tamping machine, but many workers also used other vibrating tools. The annual vibration level was 2.5 m/s2 when the use of all vibrating tools and the exposure time was taken into account. In the questionnaire the prevalence of vibration-induced white finger (VWF) was 14% in the entire material, and the prevalence of VWF increased significantly with the total duration of the maintenance work. In addition, 39% of the subjects had suffered numbness of the hands, and the prevalence of hand numbness also increased significantly with the total duration of maintenance work. According to the measurements of vibration and the prevalence of hand symptoms the present investigation indicates vibration syndrome as being related to railway track maintenance work. In the exposure group, where tamping machines mainly were used and exposure to other vibration was small, the prevalence of VWF was also significantly higher, but the prevalence of hand numbness insignificant compared with the control group. In this study vascular and nerve hand symptoms were considered to cause serious trouble in work by 4-11% of the maintenance workers.
Karthikeyan, S; Singh, Jiten N; Park, Mina; Kumar, Rajesh; Kim, Kwang S
2008-06-28
Important structural isomers of NH(4) (+)(H(2)O)(n=4,6) have been studied by using density functional theory, Moller-Plesset second order perturbation theory, and coupled-cluster theory with single, double, and perturbative triple excitations [CCSD(T)]. The zero-point energy (ZPE) correction to the complete basis set limit of the CCSD(T) binding energies and free energies is necessary to identify the low energy structures for NH(4) (+)(H(2)O)(n=4,6) because otherwise wrong structures could be assigned for the most probable structures. For NH(4) (+)(H(2)O)(6), the cage-type structure, which is more stable than the previously reported open structure before the ZPE correction, turns out to be less stable after the ZPE correction. In first principles Car-Parrinello molecular dynamics simulations around 100 K, the combined power spectrum of three lowest energy isomers of NH(4) (+)(H(2)O)(4) and two lowest energy isomers of NH(4) (+)(H(2)O)(6) explains each experimental IR spectrum.
NASA Astrophysics Data System (ADS)
Karthikeyan, S.; Singh, Jiten N.; Park, Mina; Kumar, Rajesh; Kim, Kwang S.
2008-06-01
Important structural isomers of NH4+(H2O)n=4,6 have been studied by using density functional theory, Møller-Plesset second order perturbation theory, and coupled-cluster theory with single, double, and perturbative triple excitations [CCSD(T)]. The zero-point energy (ZPE) correction to the complete basis set limit of the CCSD(T) binding energies and free energies is necessary to identify the low energy structures for NH4+(H2O)n=4,6 because otherwise wrong structures could be assigned for the most probable structures. For NH4+(H2O)6, the cage-type structure, which is more stable than the previously reported open structure before the ZPE correction, turns out to be less stable after the ZPE correction. In first principles Car-Parrinello molecular dynamics simulations around 100 K, the combined power spectrum of three lowest energy isomers of NH4+(H2O)4 and two lowest energy isomers of NH4+(H2O)6 explains each experimental IR spectrum.
Time-resolved vibrational spectroscopy
Tokmakoff, Andrei; Champion, Paul; Heilweil, Edwin J.
2009-05-14
This document contains the Proceedings from the 14th International Conference on Time-Resolved Vibrational Spectroscopy, which was held in Meredith, NH from May 9-14, 2009. The study of molecular dynamics in chemical reaction and biological processes using time-resolved spectroscopy plays an important role in our understanding of energy conversion, storage, and utilization problems. Fundamental studies of chemical reactivity, molecular rearrangements, and charge transport are broadly supported by the DOE's Office of Science because of their role in the development of alternative energy sources, the understanding of biological energy conversion processes, the efficient utilization of existing energy resources, and the mitigation ofmore » reactive intermediates in radiation chemistry. In addition, time-resolved spectroscopy is central to all fiveof DOE's grand challenges for fundamental energy science. The Time-Resolved Vibrational Spectroscopy conference is organized biennially to bring the leaders in this field from around the globe together with young scientists to discuss the most recent scientific and technological advances. The latest technology in ultrafast infrared, Raman, and terahertz spectroscopy and the scientific advances that these methods enable were covered. Particular emphasis was placed on new experimental methods used to probe molecular dynamics in liquids, solids, interfaces, nanostructured materials, and biomolecules.« less
Impact self-excited vibrations of linear motor
NASA Astrophysics Data System (ADS)
Zhuravlev, V. Ph.
2010-08-01
Impact self-exciting vibration modes in a linear motor of a monorail car are studied. Existence and stability conditions of self-exciting vibrations are found. Ways of avoiding the vibrations are discussed.
NASA Astrophysics Data System (ADS)
Kumar, Amarendra; Narayan, Vijay; Prasad, Onkar; Sinha, Leena
2012-08-01
Quantum chemical calculations of energies, dipole moment, polarizability, hyperpolarizability and vibrational wavenumbers of Azelaic acid (AZA) were carried out by using ab initio HF and B3LYP methods with 6-311++G(d,p) basis set. Hydrogen-bonded dimer of AZA, optimized by counterpoise correction, has also been studied by HF and B3LYP at the 6-311++G(d,p) level and the effects of molecular association through Osbnd H⋯O hydrogen bonding have been discussed. A complete vibrational analysis of AZA has been performed and assignments are made on the basis of potential energy distribution. The comparisons and assignments of the vibrational frequencies indicate that the experimental spectra also correspond acceptably with those of theoretically simulated spectra except the hydrogen-bonded coupled infrared vibrations.
Timebias corrections to predictions
NASA Technical Reports Server (NTRS)
Wood, Roger; Gibbs, Philip
1993-01-01
The importance of an accurate knowledge of the time bias corrections to predicted orbits to a satellite laser ranging (SLR) observer, especially for low satellites, is highlighted. Sources of time bias values and the optimum strategy for extrapolation are discussed from the viewpoint of the observer wishing to maximize the chances of getting returns from the next pass. What is said may be seen as a commercial encouraging wider and speedier use of existing data centers for mutually beneficial exchange of time bias data.
Vibration therapy: clinical applications in bone
Thompson, William R.; Yen, Sherwin S.; Rubin, Janet
2015-01-01
Purpose of review The musculoskeletal system is largely regulated through dynamic physical activity and is compromised by cessation of physical loading. There is a need to recreate the anabolic effects of loading on the musculoskeletal system, especially in frail individuals who cannot exercise. Vibration therapy is designed to be a nonpharmacological analogue of physical activity, with an intention to promote bone and muscle strength. Recent findings Animal and human studies suggest that high-frequency, low-magnitude vibration therapy improves bone strength by increasing bone formation and decreasing bone resorption. There is also evidence that vibration therapy is useful in treating sarcopenia, which confounds skeletal fragility and fall risk in aging. Enhancement of skeletal and muscle strength involves regulating the differentiation of mesenchymal stem cells to build these tissues; mesenchymal stem cell lineage allocation is positively promoted by vibration signals. Summary Vibration therapy may be useful as a primary treatment as well as an adjunct to both physical and pharmacological treatments, but future studies must pay close attention to compliance and dosing patterns, and importantly, the vibration signal, be it low-intensity vibration (<1g) appropriate for treatment of frail individuals or high-intensity vibration (>1g) marketed as a training exercise. PMID:25354044
Benefits of Spacecraft Level Vibration Testing
NASA Technical Reports Server (NTRS)
Gordon, Scott; Kern, Dennis L.
2015-01-01
NASA-HDBK-7008 Spacecraft Level Dynamic Environments Testing discusses the approaches, benefits, dangers, and recommended practices for spacecraft level dynamic environments testing, including vibration testing. This paper discusses in additional detail the benefits and actual experiences of vibration testing spacecraft for NASA Goddard Space Flight Center (GSFC) and Jet Propulsion Laboratory (JPL) flight projects. JPL and GSFC have both similarities and differences in their spacecraft level vibration test approach: JPL uses a random vibration input and a frequency range usually starting at 5 Hz and extending to as high as 250 Hz. GSFC uses a sine sweep vibration input and a frequency range usually starting at 5 Hz and extending only to the limits of the coupled loads analysis (typically 50 to 60 Hz). However, both JPL and GSFC use force limiting to realistically notch spacecraft resonances and response (acceleration) limiting as necessary to protect spacecraft structure and hardware from exceeding design strength capabilities. Despite GSFC and JPL differences in spacecraft level vibration test approaches, both have uncovered a significant number of spacecraft design and workmanship anomalies in vibration tests. This paper will give an overview of JPL and GSFC spacecraft vibration testing approaches and provide a detailed description of spacecraft anomalies revealed.
Recent advances in micro-vibration isolation
NASA Astrophysics Data System (ADS)
Liu, Chunchuan; Jing, Xingjian; Daley, Steve; Li, Fengming
2015-05-01
Micro-vibration caused by disturbance sources onboard spacecraft can severely degrade the working environment of sensitive payloads. Some notable vibration control methods have been developed particularly for the suppression or isolation of micro-vibration over recent decades. Usually, passive isolation techniques are deployed in aerospace engineering. Active isolators, however, are often proposed to deal with the low frequency vibration that is common in spacecraft. Active/passive hybrid isolation has also been effectively used in some spacecraft structures for a number of years. In semi-active isolation systems, the inherent structural performance can be adjusted to deal with variation in the aerospace environment. This latter approach is potentially one of the most practical isolation techniques for micro-vibration isolation tasks. Some emerging advanced vibration isolation methods that exploit the benefits of nonlinearity have also been reported in the literature. This represents an interesting and highly promising approach for solving some challenging problems in the area. This paper serves as a state-of-the-art review of the vibration isolation theory and/or methods which were developed, mainly over the last decade, specifically for or potentially could be used for, micro-vibration control.
Vibrational contribution to molecular polarizabilities and hyperpolarizabilities
NASA Astrophysics Data System (ADS)
Pandey, P. K. K.; Santry, D. P.
1980-09-01
The vibrational averaging theory of Kern and Matcha is extended, at the harmonic level of approximation, to the case where the molecular property under investigation can itself lead indirectly to a perturbation of the vibrational levels of the molecule. It is found that contributions arising from this perturbation can be significant, especially for molecular hyperpolarizabilities.
Granular avalanches down inclined and vibrated planes
NASA Astrophysics Data System (ADS)
Gaudel, Naïma; Kiesgen de Richter, Sébastien; Louvet, Nicolas; Jenny, Mathieu; Skali-Lami, Salaheddine
2016-09-01
In this article, we study granular avalanches when external mechanical vibrations are applied. We identify conditions of flow arrest and compare with the ones classically observed for nonvibrating granular flows down inclines [Phys. Fluids 11, 542 (1999), 10.1063/1.869928]. We propose an empirical law to describe the thickness of the deposits with the inclination angle and the vibration intensity. The link between the surface velocity and the depth of the flow highlights a competition between gravity and vibrations induced flows. We identify two distinct regimes: (a) gravity-driven flows at large angles where vibrations do not modify dynamical properties but the deposits (scaling laws in this regime are in agreement with the literature for nonvibrating granular flows) and (b) vibrations-driven flows at small angles where no flow is possible without applied vibrations (in this last regime, the flow behavior can be properly described by a vibration induced activated process). We show, in this study, that granular flows down inclined planes can be finely tuned by external mechanical vibrations.
14 CFR 33.83 - Vibration test.
Code of Federal Regulations, 2011 CFR
2011-01-01
... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Vibration test. 33.83 Section 33.83 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION AIRCRAFT AIRWORTHINESS STANDARDS: AIRCRAFT ENGINES Block Tests; Turbine Aircraft Engines § 33.83 Vibration test. (a) Each engine...
14 CFR 33.43 - Vibration test.
Code of Federal Regulations, 2013 CFR
2013-01-01
... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Vibration test. 33.43 Section 33.43... STANDARDS: AIRCRAFT ENGINES Block Tests; Reciprocating Aircraft Engines § 33.43 Vibration test. (a) Each... configuration of the propeller type which is used for the endurance test, and using, for other engines, the same...
14 CFR 33.83 - Vibration test.
Code of Federal Regulations, 2010 CFR
2010-01-01
... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Vibration test. 33.83 Section 33.83... STANDARDS: AIRCRAFT ENGINES Block Tests; Turbine Aircraft Engines § 33.83 Vibration test. (a) Each engine... experience, analysis, and component test and shall address, as a minimum, blades, vanes, rotor discs, spacers...
14 CFR 33.83 - Vibration test.
Code of Federal Regulations, 2014 CFR
2014-01-01
... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Vibration test. 33.83 Section 33.83... STANDARDS: AIRCRAFT ENGINES Block Tests; Turbine Aircraft Engines § 33.83 Vibration test. (a) Each engine... experience, analysis, and component test and shall address, as a minimum, blades, vanes, rotor discs, spacers...
14 CFR 33.43 - Vibration test.
Code of Federal Regulations, 2010 CFR
2010-01-01
... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Vibration test. 33.43 Section 33.43... STANDARDS: AIRCRAFT ENGINES Block Tests; Reciprocating Aircraft Engines § 33.43 Vibration test. (a) Each... configuration of the propeller type which is used for the endurance test, and using, for other engines, the same...
14 CFR 33.83 - Vibration test.
Code of Federal Regulations, 2013 CFR
2013-01-01
... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Vibration test. 33.83 Section 33.83... STANDARDS: AIRCRAFT ENGINES Block Tests; Turbine Aircraft Engines § 33.83 Vibration test. (a) Each engine... experience, analysis, and component test and shall address, as a minimum, blades, vanes, rotor discs, spacers...
33 CFR 159.103 - Vibration test.
Code of Federal Regulations, 2011 CFR
2011-07-01
... 33 Navigation and Navigable Waters 2 2011-07-01 2011-07-01 false Vibration test. 159.103 Section 159.103 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) POLLUTION MARINE SANITATION DEVICES Design, Construction, and Testing § 159.103 Vibration test. The device...
14 CFR 33.43 - Vibration test.
Code of Federal Regulations, 2014 CFR
2014-01-01
... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Vibration test. 33.43 Section 33.43... STANDARDS: AIRCRAFT ENGINES Block Tests; Reciprocating Aircraft Engines § 33.43 Vibration test. (a) Each... configuration of the propeller type which is used for the endurance test, and using, for other engines, the same...
Control issues of microgravity vibration isolation
NASA Technical Reports Server (NTRS)
Knospe, Carl R.; Hampton, Richard D.
1991-01-01
Active vibration isolation systems contemplated for microgravity space experiments may be designed to reach given performance requirements in a variety of ways. An analogy to passive isolation systems proves to be illustrative but lacks the flexibility as a design tool of a control systems approach and may lead to poor design. Control theory as applied to vibration isolation is reviewed and passive analogies discussed.
Vibrational and [ital K][sup [prime
Pugliano, N.; Cruzan, J.D.; Loeser, J.G.
Using tunable far infrared laser absorption spectroscopy, 12 vibration--rotation-tunneling (VRT) subbands, consisting of approximately 230 transitions have been measured and analyzed for an 82.6 cm[sup [minus]1] intermolecular vibration of the water dimer-[ital d][sub 4]. Each of the VRT subbands originate from [ital K][sup [double prime
Surface-Enhanced Impulsive Coherent Vibrational Spectroscopy
Du, Juan; Harra, Juha; Virkki, Matti; Mäkelä, Jyrki M.; Leng, Yuxin; Kauranen, Martti; Kobayashi, Takayoshi
2016-01-01
Surface-enhanced Raman spectroscopy (SERS) has attracted a lot of attention in molecular sensing because of the remarkable ability of plasmonic metal nanostructures to enhance the weak Raman scattering process. On the other hand, coherent vibrational spectroscopy triggered by impulsive excitation using ultrafast laser pulses provides complete information about the temporal evolution of molecular vibrations, allowing dynamical processes in molecular systems to be followed in “real time”. Here, we combine these two concepts and demonstrate surface-enhanced impulsive vibrational spectroscopy. The vibrational modes of the ground and excited states of poly[2-methoxy-5-(2-ethylhexyloxy)−1,4-phenylenevinylene] (MEH-PPV), spin-coated on a substrate covered with monodisperse silver nanoparticles, are impulsively excited with a sub-10 fs pump pulse and characterized with a delayed broad-band probe pulse. The maximum enhancement in the spectrally and temporally resolved vibrational signatures averaged over the whole sample is about 4.6, while the real-time information about the instantaneous vibrational amplitude together with the initial vibrational phase is preserved. The phase is essential to determine the vibrational contributions from the ground and excited states. PMID:27812020
System transmits mechanical vibration into hazardous environment
NASA Technical Reports Server (NTRS)
Armstrong, D. G.; Gaal, A. E.
1965-01-01
Vibration transducers are tested in a hazardous environment using a single axis transmission system with an electromagnetic shaker table and vibrating wires which drive identical rocker arms, one in the test cell and the other outside. This system can be modified for a multiaxis configuration.
Vibration mode and vibration shape under excitation of a three phase model transformer core
NASA Astrophysics Data System (ADS)
Okabe, Seiji; Ishigaki, Yusuke; Omura, Takeshi
2018-04-01
Structural vibration characteristics and vibration shapes under three-phase excitation of a archetype transformer core were investigated to consider their influences on transformer noise. Acoustic noise and vibration behavior were measured in a three-limb model transformer core. Experimental modal analysis by impact test was performed. The vibration shapes were measured by a laser scanning vibrometer at different exciting frequencies. Vibration amplitude of the core in out-of-plane direction were relatively larger than those in other two in-plane directions. It was consistent with the result that the frequency response function of the core in out-of-plane direction was larger by about 20 dB or more than those in in-plane directions. There were many vibration modes having bending deformation of limbs in out-of-plane direction. The vibration shapes of the core when excited at 50 Hz and 60 Hz were almost the same because the fundamental frequencies of the vibration were not close to the resonance frequencies. When excitation frequency was 69 Hz which was half of one of the resonance frequencies, the vibration shape changed to the one similar to the resonance vibration mode. Existence of many vibration modes in out-of-plane direction of the core was presumed to be a reason why frequency characteristics of magnetostriction and transformer noise do not coincide.
Optical fiber grating vibration sensor for vibration monitoring of hydraulic pump
NASA Astrophysics Data System (ADS)
Zhang, Zhengyi; Liu, Chuntong; Li, Hongcai; He, Zhenxin; Zhao, Xiaofeng
2017-06-01
In view of the existing electrical vibration monitoring traditional hydraulic pump vibration sensor, the high false alarm rate is susceptible to electromagnetic interference and is not easy to achieve long-term reliable monitoring, based on the design of a beam of the uniform strength structure of the fiber Bragg grating (FBG) vibration sensor. In this paper, based on the analysis of the vibration theory of the equal strength beam, the principle of FBG vibration tuning based on the equal intensity beam is derived. According to the practical application of the project, the structural dimensions of the equal strength beam are determined, and the optimization design of the vibrator is carried out. The finite element analysis of the sensor is carried out by ANSYS, and the first order resonant frequency is 94.739 Hz. The vibration test of the sensor is carried out by using the vibration frequency of 35 Hz and the vibration source of 50 Hz. The time domain and frequency domain analysis results of test data show that the sensor has good dynamic response characteristics, which can realize the accurate monitoring of the vibration frequency and meet the special requirements of vibration monitoring of hydraulic pump under specific environment.
Statistical quality control through overall vibration analysis
NASA Astrophysics Data System (ADS)
Carnero, M. ^{a.} Carmen; González-Palma, Rafael; Almorza, David; Mayorga, Pedro; López-Escobar, Carlos
2010-05-01
The present study introduces the concept of statistical quality control in automotive wheel bearings manufacturing processes. Defects on products under analysis can have a direct influence on passengers' safety and comfort. At present, the use of vibration analysis on machine tools for quality control purposes is not very extensive in manufacturing facilities. Noise and vibration are common quality problems in bearings. These failure modes likely occur under certain operating conditions and do not require high vibration amplitudes but relate to certain vibration frequencies. The vibration frequencies are affected by the type of surface problems (chattering) of ball races that are generated through grinding processes. The purpose of this paper is to identify grinding process variables that affect the quality of bearings by using statistical principles in the field of machine tools. In addition, an evaluation of the quality results of the finished parts under different combinations of process variables is assessed. This paper intends to establish the foundations to predict the quality of the products through the analysis of self-induced vibrations during the contact between the grinding wheel and the parts. To achieve this goal, the overall self-induced vibration readings under different combinations of process variables are analysed using statistical tools. The analysis of data and design of experiments follows a classical approach, considering all potential interactions between variables. The analysis of data is conducted through analysis of variance (ANOVA) for data sets that meet normality and homoscedasticity criteria. This paper utilizes different statistical tools to support the conclusions such as chi squared, Shapiro-Wilks, symmetry, Kurtosis, Cochran, Hartlett, and Hartley and Krushal-Wallis. The analysis presented is the starting point to extend the use of predictive techniques (vibration analysis) for quality control. This paper demonstrates the existence
NASA Astrophysics Data System (ADS)
Zhang, X. C.; Zhang, X. Z.; Li, W. H.; Liu, B.; Gong, X. L.; Zhang, P. Q.
The aim of this article is to investigate the use of a Dynamic Vibration Absorber to control vibration of engine by using simulation. Traditional means of vibration control have involved the use of passive and more recently, active methods. This study is different in that it involves an adaptive component in the design of vibration absorber using magnetorheological elastomers (MREs) as the adaptive spring. MREs are kind of novel smart material whose shear modulus can be controlled by applied magnetic field. In this paper, the vibration mode of a simple model of automobile engine is simulated by Finite Element Method (FEM) analysis. Based on the analysis, the MREs Adaptive Tuned Dynamic Vibration Absorber (ATDVA) is presented to reduce the vibration of the engine. Simulation result indicate that the control frequency of ATDVA can be changed by modifing the shear modulus of MREs and the vibraion reduction efficiency of ATDVA are also evaluated by FEM analysis.
NASA Astrophysics Data System (ADS)
Zhu, Hui; Shan, Xuekang; Sun, Xiaohan
2017-10-01
A method for reconstructing the vibration waveform from the optical time-domain backscattering pulses in the distributed optical fiber sensing system (DOFSS) is proposed, which allows for extracting and recovering the external vibration signal from the tested pulses by analog signal processing, so that can obtain vibration location and waveform simultaneously. We establish the response model of DOFSS to the external vibration and analyze the effects of system parameters on the operational performance. The main parts of the DOFSS are optimized, including delay fiber length and wavelength, to improve the sensitivity of the system. The experimental system is set up and the vibration amplitudes and reconstructed waveforms are fit well with the original driving signal. The experimental results demonstrate that the performance of vibration waveform reconstruction is good with SNR of 15 dB whenever the external vibrations with different intensities and frequencies exert on the sensing fiber.
Ultra-low-vibration pulse-tube cryocooler system - cooling capacity and vibration
NASA Astrophysics Data System (ADS)
Ikushima, Yuki; Li, Rui; Tomaru, Takayuki; Sato, Nobuaki; Suzuki, Toshikazu; Haruyama, Tomiyoshi; Shintomi, Takakazu; Yamamoto, Akira
2008-09-01
This report describes the development of low-vibration cooling systems with pulse-tube (PT) cryocoolers. Generally, PT cryocoolers have the advantage of lower vibrations in comparison to those of GM cryocoolers. However, cooling systems for the cryogenic laser interferometer observatory (CLIO), which is a gravitational wave detector, require an operational vibration that is sufficiently lower than that of a commercial PT cryocooler. The required specification for the vibration amplitude in cold stages is less than ±1 μm. Therefore, during the development of low-vibration cooling systems for the CLIO, we introduced advanced countermeasures for commercial PT cryocoolers. The cooling performance and the vibration amplitude were evaluated. The results revealed that 4 K and 80 K PT cooling systems with a vibration amplitude of less than ±1 μm and cooling performance of 4.5 K and 70 K at heat loads of 0.5 W and 50 W, respectively, were developed successfully.
Passively damped vibration welding system and method
Tan, Chin-An; Kang, Bongsu; Cai, Wayne W.; Wu, Tao
2013-04-02
A vibration welding system includes a controller, welding horn, an anvil, and a passive damping mechanism (PDM). The controller generates an input signal having a calibrated frequency. The horn vibrates in a desirable first direction at the calibrated frequency in response to the input signal to form a weld in a work piece. The PDM is positioned with respect to the system, and substantially damps or attenuates vibration in an undesirable second direction. A method includes connecting the PDM having calibrated properties and a natural frequency to an anvil of an ultrasonic welding system. Then, an input signal is generated using a weld controller. The method includes vibrating a welding horn in a desirable direction in response to the input signal, and passively damping vibration in an undesirable direction using the PDM.
Biomolecular Imaging with Coherent Nonlinear Vibrational Microscopy
Chung, Chao-Yu; Boik, John; Potma, Eric O.
2014-01-01
Optical imaging with spectroscopic vibrational contrast is a label-free solution for visualizing, identifying, and quantifying a wide range of biomolecular compounds in biological materials. Both linear and nonlinear vibrational microscopy techniques derive their imaging contrast from infrared active or Raman allowed molecular transitions, which provide a rich palette for interrogating chemical and structural details of the sample. Yet nonlinear optical methods, which include both second-order sum-frequency generation (SFG) and third-order coherent Raman scattering (CRS) techniques, offer several improved imaging capabilities over their linear precursors. Nonlinear vibrational microscopy features unprecedented vibrational imaging speeds, provides strategies for higher spatial resolution, and gives access to additional molecular parameters. These advances have turned vibrational microscopy into a premier tool for chemically dissecting live cells and tissues. This review discusses the molecular contrast of SFG and CRS microscopy and highlights several of the advanced imaging capabilities that have impacted biological and biomedical research. PMID:23245525
High Energy Vibration for Gas Piping
NASA Astrophysics Data System (ADS)
Lee, Gary Y. H.; Chan, K. B.; Lee, Aylwin Y. S.; Jia, ShengXiang
2017-07-01
In September 2016, a gas compressor in offshore Sarawak has its rotor changed out. Prior to this change-out, pipe vibration study was carried-out by the project team to evaluate any potential high energy pipe vibration problems at the compressor’s existing relief valve downstream pipes due to process condition changes after rotor change out. This paper covers high frequency acoustic excitation (HFAE) vibration also known as acoustic induced vibration (AIV) study and discusses detailed methodologies as a companion to the Energy Institute Guidelines for the avoidance of vibration induced fatigue failure, which is a common industry practice to assess and mitigate for AIV induced fatigue failure. Such detailed theoretical studies can help to minimize or totally avoid physical pipe modification, leading to reduce offshore plant shutdown days to plant shutdowns only being required to accommodate gas compressor upgrades, reducing cost without compromising process safety.