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

Science.gov (United States)

2016-06-03

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

Probing the Vibrational Spectroscopy of the Deprotonated Thymine Radical by Photodetachment and State-Selective Autodetachment Photoelectron Spectroscopy via Dipole-Bound States

Science.gov (United States)

Huang, Dao-Ling; Zhu, Guo-Zhu; Wang, Lai-Sheng

2016-06-01

Deprotonated thymine can exist in two different forms, depending on which of its two N sites is deprotonated: N1[T-H]^- or N3[T-H]^-. Here we report a photodetachment study of the N1[T-H]^- isomer cooled in a cryogenic ion trap and the observation of an excited dipole-bound state. Eighteen vibrational levels of the dipole-bound state are observed, and its vibrational ground state is found to be 238 ± 5 wn below the detachment threshold of N1[T-H]^-. The electron affinity of the deprotonated thymine radical (N1[T-H]^.) is measured accruately to be 26 322 ± 5 wn (3.2635 ± 0.0006 eV). By tuning the detachment laser to the sixteen vibrational levels of the dipole-bound state that are above the detachment threshold, highly non-Franck-Condon resonant-enhanced photoelectron spectra are obtained due to state- and mode-selective vibrational autodetachment. Much richer vibrational information is obtained for the deprotonated thymine radical from the photodetachment and resonant-enhanced photoelectron spectroscopy. Eleven fundamental vibrational frequencies in the low-frequency regime are obtained for the N1[T-H]^. radical, including the two lowest-frequency internal rotational modes of the methyl group at 70 ± 8 wn and 92 ± 5 wn. D. L. Huang, H. T. Liu, C. G. Ning, G. Z. Zhu and L. S. Wang, Chem. Sci., 6, 3129-3138 (2015)

Fluidelastic vibration of cylinder arrays in axial and cross flow--state of the art

International Nuclear Information System (INIS)

Paidoussis, M.P.

1981-01-01

A critical assessment of the state of the art for flow-induced vibrations of cylinder arrays in cross and axial flow is presented. An historical review highlights the contributions which advanced understanding of the flow-induced vibration phenomena involved and/or predictive ability. In the case of axial-flow-induced vibration, the absence of separated flow regions has contributed towards the development of analytical predictive tools. The designer may predict the onset of fluidelastic instabilities, which generally occur at very high flow velocities, with greater confidence. In contrast, in the case of cross-flow-induced vibration, the complexity of the flow has encouraged more heuristic approaches to be adopted. The state of the art in this case is discussed with the aid of a new classification of the flow-induced vibration phenomena involved, to unify and clarify the contradictory claims facing the designer. It is concluded that, although the physical understanding of cross-flow-induced vibration phenomena is not good, useful design guidelines do exist. These are capable of predicting vibration characteristics to within a factor of 2 to 10. A comprehensive bibliography is included. 115 refs

Characteristics of vibrator use by gay and bisexually identified men in the United States.

Science.gov (United States)

Reece, Michael; Rosenberger, Joshua G; Schick, Vanessa; Herbenick, Debby; Dodge, Brian; Novak, David S

2010-10-01

Recent reports indicate that vibrator use during solo and partnered sexual activities is common among heterosexual men and women in the United States. However, little research has comprehensively assessed vibrator use among gay and bisexually identified men. This study sought to document the extent to which gay and bisexually identified men report using vibrators, the sexual and relational situations within which they use them, and how men use vibrators on their own and their partners' bodies. Data were collected from 25,294 gay and bisexually identified men from 50 U.S. states and from the District of Columbia via an internet-based survey. Measures included sociodemographics, health-related indicators, sexual behaviors, and those related to recent and past use of vibrators during solo and partnered sexual interactions with other men. Approximately half (49.8%) of gay and bisexually identified men reported having used vibrators. Most men who had used a vibrator in the past reported use during masturbation (86.2%). When used during partnered interactions, vibrators were incorporated into foreplay (65.9%) and intercourse (59.4%). Men reported frequent insertion of vibrators into the anus or rectum when using them during masturbation (87.3%), which was also common during partnered interactions (∼60%), but varied slightly for casual and relationship sex partners. For both masturbation and partnered interactions, men overwhelmingly endorsed the extent to which vibrator use contributed to sexual arousal, orgasm, and pleasure. Vibrator use during both solo and partnered sexual acts was common among the gay and bisexually identified men in this sample and was described by men as adding to the quality of their sexual experiences. © 2010 International Society for Sexual Medicine.

Rotational structure of the five lowest frequency fundamental vibrational states of dimethylsulfoxide

Science.gov (United States)

Cuisset, Arnaud; Drumel, Marie-Aline Martin; Hindle, Francis; Mouret, Gaël; Sadovskií, Dmitrií A.

2013-10-01

We report on the successful extended analysis of the high-frequency (200-700 GHz) part of the gas phase (sub)mm-wave spectra of dimethylsulfoxide (DMSO). The spectrum was recorded at 100 kHz resolution using a solid state subTHz spectrometer. The five lowest energy fundamental vibrational states of DMSO with frequencies below 400 cm-1 were observed as sidebands along with the main 0←0 band. Neglecting the internal rotation of methyls, our rotational Hamiltonian reproduced the spectrum to the subMHz accuracy. We have found that the asymmetric bending state ν23 is the only low frequency fundamental vibrational state with the "anomalous" rotational structure uncovered in Cuisset et al. [1]. dmsomw 2013-09-04 15:03

Vibration analysis of primary inlet pipe line during steady state and transient conditions of Pakistan research reactor-1

International Nuclear Information System (INIS)

Ayazuddin, S.K.; Qureshi, A.A.; Hayat, T.

1997-11-01

The Primary Water Inlet Pipeline (PW-IPL) is of stainless steel conveying demineralized water from hold-up tank to the reactor pool of Pakistan Research Reactor-1 (PARR-1). The section of the pipeline from heat exchangers to the valve pit is hanger supported in the pump room and the rest of the section from valve pit to the reactor pool is embedded. The PW-IPL is subjected to steady state and transient vibrations. The reactor pumps, which drive the coolant through various circuits mainly contribute the steady state vibrations, while transient vibrations arise due to instant closure of the check valve (water hammer). The ASME Boiler and Pressure Vessel code provides data about the acceptable limits of stresses related to the primary static stress due to steady state vibrations. However, due to complexity in the pipe structure, stresses related to the transient vibrations are neglected in the code. In this report attempt has been made to analyzed both steady state and transient vibrations of PW-IPL of PARR-1. Since, both the steady state and transient vibrations affect the hanger-supported section of the PW-IPL, therefore, it was selected for vibration test measurements. In the analysis vibration data was compared with the allowable limits and estimations of maximum pressure build-up, eflection, natural frequency, tensile and shear load on hanger support, and the ratio of maximum combine stress to the allowable load were made. (author)

Analysis of solid-state transformations of pharmaceutical compounds using vibrational spectroscopy

DEFF Research Database (Denmark)

Heinz, Andrea; Strachan, Clare J; Gordon, Keith C

2009-01-01

OBJECTIVES: Solid-state transformations may occur during any stage of pharmaceutical processing and upon storage of a solid dosage form. Early detection and quantification of these transformations during the manufacture of solid dosage forms is important since the physical form of an active...... pharmaceutical ingredient can significantly influence its processing behaviour, including powder flow and compressibility, and biopharmaceutical properties such as solubility, dissolution rate and bioavailability. KEY FINDINGS: Vibrational spectroscopic techniques such as infrared, near-infrared, Raman and, most...... multivariate approaches where even overlapping spectral bands can be analysed. SUMMARY: This review discusses the applications of different vibrational spectroscopic techniques to detect and monitor solid-state transformations possible for crystalline polymorphs, hydrates and amorphous forms of pharmaceutical...

Atomic-partial vibrational density of states of i-AlCuFe quasicrystals

International Nuclear Information System (INIS)

Parshin, P.P.; Zemlyanov, M.; Brand, R.A.; Dianoux, A.J.; Calvayrac, Y.

2002-01-01

We present new results on the separation of the atomic-partial vibrational density of states for the ternary quasicrystal i-Al 62 Cu 25.5 Fe 12.5 . The decomposition into three atomic-partial functions, Al-, Cu- and Fe-g(E), has been performed self-consistently with the calculation of the multi-phonon contributions. The results show the surprising result that both Cu- and Fe-g(E) are strongly peaked. The low-energy regions of Al- and Cu-g(E) show strong deviations from Debye behaviour due to the presence of non-propagating low-energy vibrational states. (orig.)

First-principles analysis of the Raman spectrum of vitreous silica: comparison with the vibrational density of states

International Nuclear Information System (INIS)

Umari, P; Pasquarello, Alfredo

2003-01-01

The HH and HV Raman spectra of vitreous silica are calculated from first principles for a model structure consisting of a disordered network of corner-sharing tetrahedra, for which the vibrational properties were obtained previously. We analyse the contribution of specific atomic motions to the Raman spectra and perform a detailed comparison with respect to the vibrational density of states. We find that the HV spectrum closely resembles the vibrational density of states. By comparison, the HH spectrum shows significant differences and arises almost exclusively from oxygen vibrations

First-principles analysis of the Raman spectrum of vitreous silica: comparison with the vibrational density of states

Energy Technology Data Exchange (ETDEWEB)

Umari, P; Pasquarello, Alfredo [Institut de Theorie des Phenomenes Physiques (ITP), Ecole Polytechnique Federale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Institut Romand de Recherche Numerique en Physique des Materiaux (IRRMA), CH-1015 Lausanne (Switzerland)

2003-04-30

The HH and HV Raman spectra of vitreous silica are calculated from first principles for a model structure consisting of a disordered network of corner-sharing tetrahedra, for which the vibrational properties were obtained previously. We analyse the contribution of specific atomic motions to the Raman spectra and perform a detailed comparison with respect to the vibrational density of states. We find that the HV spectrum closely resembles the vibrational density of states. By comparison, the HH spectrum shows significant differences and arises almost exclusively from oxygen vibrations.

Spectroscopic diagnostics of the vibrational population in the ground state of H2 and D2 molecules

International Nuclear Information System (INIS)

Fantz, U.; Heger, B.

1998-01-01

A diagnostic method has been evaluated for measuring the relative vibrational ground-state population of molecular hydrogen and deuterium. It is based on the analysis of the diagonal Fulcher bands · 3 Π u →a 3 Σ g + ) and the Franck-Condon principle of excitation. The validity of the underlying assumptions was verified by experiments in microwave discharges and the method is recommended for application in divertor plasmas in controlled fusion experiments. By attributing a vibrational temperature T vib to the ground-state electronic level (X 1 Σ g + ) and assuming population via the Franck-Condon principle, the upper Fulcher state vibrational distribution can be derived theoretically with T vib as parameter. Comparison with experimentally derived upper-state population gives the corresponding T vib of the ground state. The Franck-Condon factors for the · 3 Π 1 Σ g + and · 3 Π u →a 3 Σ g + transitions have been calculated for both hydrogen and deuterium from molecular constants using the FCFRKR code. The method has been applied to low pressure H 2 /He and D 2 /He microwave plasmas, showing good agreement of experimentally and theoretically derived upper Fulcher state vibrational distributions. The vibrational temperatures range from 3200 K to 6800 K for H 2 and 2600 K to 4000 K for D 2 · depending on molecular density, pressure and electron temperature, but indicating nearly the same vibrational population for H 2 and D 2 for comparable plasma conditions. (author)

Millimeter-wave and Submillimeter-wave Spectra of Aminoacetonitrile in the Three Lowest Vibrational Excited States

Energy Technology Data Exchange (ETDEWEB)

Esposti, Claudio Degli; Dore, Luca; Melosso, Mattia [Dipartimento di Chimica “Giacomo Ciamician”, Università di Bologna, via Selmi 2, I-40126 Bologna (Italy); Kobayashi, Kaori [Department of Physics, Faculty of Science, University of Toyama, 3190 Gofuku, Toyama 930-8555 (Japan); Fujita, Chiho; Ozeki, Hiroyuki, E-mail: ozeki@env.sci.toho-u.ac.jp [Department of Environmental Science, Faculty of Science, Toho University, 2-2-1 Miyama, Funabashi, 274-8510 (Japan)

2017-06-01

It is important to study possible precursors of amino acids such as glycine to enable future searches in interstellar space. Aminoacetonitrile (NH{sub 2}CH{sub 2}CN) is one of the most feasible molecules for this purpose. This molecule was already detected toward Sgr B2(N). Aminoacetonitrile has a few low-lying vibrational excited states, and transitions within these states may be found in space. In this study, the pure-rotational transitions in the three lowest vibrational states in the 80–450 GHz range have been assigned and analyzed. It was found to be very important to include Coriolis coupling between the two lowest vibrational fundamentals, while the third one was unperturbed. The partition function was evaluated considering these new results.

Quantum teleportation from light beams to vibrational states of a macroscopic diamond

Science.gov (United States)

Hou, P.-Y.; Huang, Y.-Y.; Yuan, X.-X.; Chang, X.-Y.; Zu, C.; He, L.; Duan, L.-M.

2016-01-01

With the recent development of optomechanics, the vibration in solids, involving collective motion of trillions of atoms, gradually enters into the realm of quantum control. Here, building on the recent remarkable progress in optical control of motional states of diamonds, we report an experimental demonstration of quantum teleportation from light beams to vibrational states of a macroscopic diamond under ambient conditions. Through quantum process tomography, we demonstrate average teleportation fidelity (90.6±1.0)%, clearly exceeding the classical limit of 2/3. The experiment pushes the target of quantum teleportation to the biggest object so far, with interesting implications for optomechanical quantum control and quantum information science. PMID:27240553

Atomic-partial vibrational density of states of i-AlCuFe quasicrystals

CERN Document Server

Parshin, P P; Brand, R A; Dianoux, A J; Calvayrac, Y

2002-01-01

We present new results on the separation of the atomic-partial vibrational density of states for the ternary quasicrystal i-Al sub 6 sub 2 Cu sub 2 sub 5 sub . sub 5 Fe sub 1 sub 2 sub . sub 5. The decomposition into three atomic-partial functions, Al-, Cu- and Fe-g(E), has been performed self-consistently with the calculation of the multi-phonon contributions. The results show the surprising result that both Cu- and Fe-g(E) are strongly peaked. The low-energy regions of Al- and Cu-g(E) show strong deviations from Debye behaviour due to the presence of non-propagating low-energy vibrational states. (orig.)

Van der Waals potential and vibrational energy levels of the ground state radon dimer

Science.gov (United States)

Sheng, Xiaowei; Qian, Shifeng; Hu, Fengfei

2017-08-01

In the present paper, the ground state van der Waals potential of the Radon dimer is described by the Tang-Toennies potential model, which requires five essential parameters. Among them, the two dispersion coefficients C6 and C8 are estimated from the well determined dispersion coefficients C6 and C8 of Xe2. C10 is estimated by using the approximation equation that C6C10/C82 has an average value of 1.221 for all the rare gas dimers. With these estimated dispersion coefficients and the well determined well depth De and Re the Born-Mayer parameters A and b are derived. Then the vibrational energy levels of the ground state radon dimer are calculated. 40 vibrational energy levels are observed in the ground state of Rn2 dimer. The last vibrational energy level is bound by only 0.0012 cm-1.

The Astrophysical Weeds: Rotational Transitions in Excited Vibrational States

Science.gov (United States)

Alonso, José L.; Kolesniková, Lucie; Alonso, Elena R.; Mata, Santiago

2017-06-01

The number of unidentified lines in the millimeter and submillimeter wave surveys of the interstellar medium has grown rapidly. The major contributions are due to rotational transitions in excited vibrational states of a relatively few molecules that are called the astrophysical weeds. necessary data to deal with spectral lines from astrophysical weeds species can be obtained from detailed laboratory rotational measurements in the microwave and millimeter wave region. A general procedure is being used at Valladolid combining different time and/or frequency domain spectroscopic tools of varying importance for providing the precise set of spectroscopic constants that could be used to search for this species in the ISM. This is illustrated in the present contribution through its application to several significant examples. Fortman, S. M., Medvedev, I. R., Neese, C.F., & De Lucia, F.C. 2010, ApJ,725, 1682 Rotational Spectra in 29 Vibrationally Excited States of Interstellar Aminoacetonitrile, L. Kolesniková, E. R. Alonso, S. Mata, and J. L. Alonso, The Astrophysical Journal Supplement Series 2017, (in press).

Torsional, Vibrational and Vibration-Torsional Levels in the S_{1} and Ground Cationic D_{0}^{+} States of Para-Fluorotoluene

Science.gov (United States)

Gardner, Adrian M.; Tuttle, William Duncan; Whalley, Laura E.; Claydon, Andrew; Carter, Joseph H.; Wright, Timothy G.

2017-06-01

The S_{1} electronic state and ground state of the cation of para-fluorotoluene (pFT) have been investigated using resonance-enhanced multiphoton ionization (REMPI) spectroscopy and zero-kinetic-energy (ZEKE) spectroscopy. Here we focus on the low wavenumber region where a number of "pure" torsional, fundamental vibrational and vibration-torsional levels are expected; assignments of observed transitions are discussed, which are compared to results of published work on toluene (methylbenzene) from the Lawrance group. The similarity in the activity observed in the excitation spectrum of the two molecules is striking. A. M. Gardner, W. D. Tuttle, L. Whalley, A. Claydon, J. H. Carter and T. G. Wright, J. Chem. Phys., 145, 124307 (2016). J. R. Gascooke, E. A. Virgo, and W. D. Lawrance J. Chem. Phys., 143, 044313 (2015).

Basis states for the rotational and vibrational limits of nuclear collective motion

International Nuclear Information System (INIS)

Vanagas, V.; Alishauskas, S.; Kalinauskas, R.; Nadzhakov, E.

1980-01-01

Basis states characterized by quantum numbers traditionally used in the rotational and the vibrational limits are treated in an unified way. An explicit basis construction in the Hilbert space of the collective phenomenological nuclear Hamiltonian generalized to six degrees of freedom in both limits is given. This generalization reduces to including an additional degree of freedom allowing to treat both cases within a collective substance of the complete many-body Hilbert space. A group-theoretical approach is applied. From this point of view the problem is reduced to the construction of a set of U(6)-irreducible states labelled by quantum numbers of two special chains of subgroups adapted for the rotational and vibrational limits. In particular, the generalization is more complicated in the case of the chain for the rotational limits. The explicit construction of a basis for both limits is carried out in two steps: 1) construction of the highest weight state for corresponding group irreducible representation - in the case of the rotational limit U(3) and of the vibrational limit O(5); 2) generating a complete set of states by the projection technique. In this framework it is possible to diagonalize a general phenomenological Hamiltonian in cases different from both limits. It is also possible to calculate transition probabilities induced by any physical quantity

Vibrational states in deformed nuclei. Chaos, order and individual nature of nuclei

International Nuclear Information System (INIS)

Soloviev, V.G.

1993-01-01

General properties of the vibrational states in doubly-even well-deformed are formulated. The large many-quasiparticle components of the wave functions of the neutron resonance state are responsible for enhance E1- and M1-transitions rates from the neutron resonances states to the levels lying 1-2 MeV below them. 44 refs.; 4 tabs

Low Cost Digital Vibration Meter.

Science.gov (United States)

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.

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

International Nuclear Information System (INIS)

Kazanskii, A.K.

1982-01-01

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

Generation of three-mode nonclassical vibrational states of ions

International Nuclear Information System (INIS)

Nguyen Ba An; Truong Minh Duc

2002-01-01

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

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

KAUST Repository

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

2015-01-01

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

Contribution to the heavy-ion optical potential from coupling to vibrational states

Energy Technology Data Exchange (ETDEWEB)

Donangelo, R; Canto, L F; Hussein, M S

1978-11-01

The component of the optical potential in the elastic channel due to the coupling to vibrational states in Coulomb excitation is derived using a previously developed semiclassical method. Several numerical examples are worked out.

Lowest vibrational states of 4He3He+: Non-Born-Oppenheimer calculations

International Nuclear Information System (INIS)

Stanke, Monika; Bubin, Sergiy; Kedziera, Dariusz; Molski, Marcin; Adamowicz, Ludwik

2007-01-01

Very accurate quantum mechanical calculations of the first five vibrational states of the 4 He 3 He + molecular ion are reported. The calculations have been performed explicitly including the coupling of the electronic and nuclear motions [i.e., without assuming the Born-Oppenheimer (BO) approximation]. The nonrelativistic non-BO wave functions were used to calculate the α 2 relativistic mass velocity, Darwin, and spin-spin interaction corrections. For the lowest vibrational transition, whose experimental energy is established with high precision, the calculated and the experimental results differ by only 0.16 cm -1

Translational vibrations between chains of hydrogen-bonded molecules in solid-state aspirin form I

Science.gov (United States)

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.

Absolute vibrational numbering from isotope shifts in fragmentary spectroscopic data

Science.gov (United States)

Pashov, A.; Kowalczyk, P.; Jastrzebski, W.

2018-05-01

We discuss application of the isotope effect to establish the absolute vibrational numbering in electronic states of diatomic molecules. This is illustrated by examples of states with potential energy curves of both regular and irregular shape, with one or two potential minima. The minimum number of spectroscopic data (either term values or spectral line positions) necessary to provide a unique numbering is considered. We show that at favourable conditions just four term energies (or spectral lines) in one isotopologue and one term energy in the other suffice.

Uniqueness of Gibbs states and global Markov property for Euclidean fields

International Nuclear Information System (INIS)

Albeverio, S.; Hoeegh-Krohn, R.

1981-01-01

The authors briefly discuss the proof of the uniqueness of solutions of the DLR equations (uniqueness of Gibbs states) in the class of regular generalized random fields (in the sense of having second moments bounded by those of some Euclidean field), for the Euclidean fields with trigonometric interaction. (Auth.)

Rotational Spectra in 29 Vibrationally Excited States of Interstellar Aminoacetonitrile

Energy Technology Data Exchange (ETDEWEB)

Kolesniková, L.; Alonso, E. R.; Mata, S.; Alonso, J. L. [Grupo de Espectroscopia Molecular (GEM), Edificio Quifima, Área de Química-Física, Laboratorios de Espectroscopia y Bioespectroscopia, Parque Científico UVa, Unidad Asociada CSIC, Universidad de Valladolid, E-47011 Valladolid (Spain)

2017-04-01

We report a detailed spectroscopic investigation of the interstellar aminoacetonitrile, a possible precursor molecule of glycine. Using a combination of Stark and frequency-modulation microwave and millimeter wave spectroscopies, we observed and analyzed the room-temperature rotational spectra of 29 excited states with energies up to 1000 cm{sup −1}. We also observed the {sup 13}C isotopologues in the ground vibrational state in natural abundance (1.1%). The extensive data set of more than 2000 new rotational transitions will support further identifications of aminoacetonitrile in the interstellar medium.

Wind Turbine Tower Vibration Modeling and Monitoring by the Nonlinear State Estimation Technique (NSET

Directory of Open Access Journals (Sweden)

Peng Guo

2012-12-01

Full Text Available With appropriate vibration modeling and analysis the incipient failure of key components such as the tower, drive train and rotor of a large wind turbine can be detected. In this paper, the Nonlinear State Estimation Technique (NSET has been applied to model turbine tower vibration to good effect, providing an understanding of the tower vibration dynamic characteristics and the main factors influencing these. The developed tower vibration model comprises two different parts: a sub-model used for below rated wind speed; and another for above rated wind speed. Supervisory control and data acquisition system (SCADA data from a single wind turbine collected from March to April 2006 is used in the modeling. Model validation has been subsequently undertaken and is presented. This research has demonstrated the effectiveness of the NSET approach to tower vibration; in particular its conceptual simplicity, clear physical interpretation and high accuracy. The developed and validated tower vibration model was then used to successfully detect blade angle asymmetry that is a common fault that should be remedied promptly to improve turbine performance and limit fatigue damage. The work also shows that condition monitoring is improved significantly if the information from the vibration signals is complemented by analysis of other relevant SCADA data such as power performance, wind speed, and rotor loads.

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

Science.gov (United States)

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

2012-04-01

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

Proposal to use vibration analysis steering components and car body to monitor, for example, the state of unbalance wheel

Science.gov (United States)

Janczur, R.

2016-09-01

The results of road tests of car VW Passat equipped with tires of size 195/65 R15, on the influence of the unbalancing front wheel on vibration of the parts of steering system, steering wheel and the body of the vehicle have been presented in this paper. Unbalances wheels made using weights of different masses, placed close to the outer edge of the steel rim and checked on the machine Hunter GSP 9700 for balancing wheels. The recorded waveforms vibration steering components and car body, at different constant driving speeds, subjected to spectral analysis to determine the possibility of isolating vibration caused by unbalanced wheel in various states and coming from good quality asphalt road surface. The results were discussed in terms of the possibility of identifying the state of unbalancing wheels and possible changes in radial stiffness of the tire vibration transmitted through the system driving wheel on the steering wheel. Vibration analysis steering components and car body, also in the longitudinal direction, including information from the CAN bus of the state of motion of the car, can be used to monitor the development of the state of unbalance wheel, tire damage or errors shape of brake discs or brake drums, causing pulsations braking forces.

Heavy Rydberg behaviour in high vibrational levels of some ion-pair states of the halogens and inter-halogens

International Nuclear Information System (INIS)

Donovan, Robert J.; Lawley, Kenneth P.; Ridley, Trevor

2015-01-01

We report the identification of heavy Rydberg resonances in the ion-pair spectra of I 2 , Cl 2 , ICl, and IBr. Extensive vibrational progressions are analysed in terms of the energy dependence of the quantum defect δ(E b ) rather than as Dunham expansions. This is shown to define the heavy Rydberg region, providing a more revealing fit to the data with fewer coefficients and leads just as easily to numbering data sets separated by gaps in the observed vibrational progressions. Interaction of heavy Rydberg states with electronic Rydberg states at avoided crossings on the inner wall of the ion-pair potential is shown to produce distinctive changes in the energy dependence of δ(E b ), with weak and strong interactions readily distinguished. Heavy Rydberg behaviour is found to extend well below near-dissociation states, down to vibrational levels ∼18 000-20 000 cm −1 below dissociation. The rapid semi-classical calculation of δ(E b ) for heavy Rydberg states is emphasised and shows their absolute magnitude to be essentially the volume of phase space excluded from the vibrational motion by avoiding core-core penetration of the ions

Vibrational-state-selected ion--molecule reaction cross sections at thermal energies

NARCIS (Netherlands)

Pijkeren, D. van; Boltjes, E.; Eck, J. van; Niehaus, A.

1984-01-01

A method designed to measure relative ion—molecule reaction rates at thermal collision energies for selected reactant ion vibrational states is described. Relative reaction rates are determined for the three endothermic reactions: H2+ (υ)(He,H)HeH+, H2+ (υ)(Ne,H)NeH+, D2+(υ)(Ne, D)NeD+, and for the

Moving in the Right Direction: Evolution of Protein Structural Vibrations with Functional State and Mutation

Science.gov (United States)

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

Long-range intramolecular vibrations may enable efficient access to functionally important conformations. We examine how these motions change with inhibitor binding and mutation using terahertz anisotropic absorption and molecular modeling. The measured anisotropic absorption dramatically changes with 3NAG inhibitor binding for wild type (WT) free chicken egg white lysozyme (CEWL). We examine the evolution of internal motions with binding using normal mode analysis to calculate an ensemble averaged vibrational density of states (VDOS) and isotropic and anisotropic absorptions for both WT and a two residue (R14 and H15) deletion mutant which has a 1.4 higher activity rate. While the VDOS and isotropic response are largely unchanged with inhibitor binding, the anisotropic response changes dramatically with binding. However, for the mutant the calculated unbound anisotropic absorption more closely resembles its bound spectrum, and it has increased calculated mean squared fluctuations in regions overlapping those in its bound state. These results indicate that the mutant's enhanced activity may be due to a shift in the direction of vibrations toward those of the bound state, increasing the sampling rate of the bound conformation.

A generator for unique quantum random numbers based on vacuum states

DEFF Research Database (Denmark)

Gabriel, C.; Wittmann, C.; Sych, D.

2010-01-01

the purity of a continuous-variable quantum vacuum state to generate unique random numbers. We use the intrinsic randomness in measuring the quadratures of a mode in the lowest energy vacuum state, which cannot be correlated to any other state. The simplicity of our source, combined with its verifiably......Random numbers are a valuable component in diverse applications that range from simulations(1) over gambling to cryptography(2,3). The quest for true randomness in these applications has engendered a large variety of different proposals for producing random numbers based on the foundational...... unpredictability of quantum mechanics(4-11). However, most approaches do not consider that a potential adversary could have knowledge about the generated numbers, so the numbers are not verifiably random and unique(12-15). Here we present a simple experimental setup based on homodyne measurements that uses...

Franck-Condon fingerprinting of vibration-tunneling spectra.

Science.gov (United States)

Berrios, Eduardo; Sundaradevan, Praveen; Gruebele, Martin

2013-08-15

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

Characterizing interstate vibrational coherent dynamics of surface adsorbed catalysts by fourth-order 3D SFG spectroscopy

Science.gov (United States)

Li, Yingmin; Wang, Jiaxi; Clark, Melissa L.; Kubiak, Clifford P.; Xiong, Wei

2016-04-01

We report the first fourth-order 3D SFG spectroscopy of a monolayer of the catalyst Re(diCN-bpy)(CO)3Cl on a gold surface. Besides measuring the vibrational coherences of single vibrational modes, the fourth-order 3D SFG spectrum also measures the dynamics of interstate coherences and vibrational coherences states between two vibrational modes. By comparing the 3D SFG to the corresponding 2D and third-order 3D IR spectroscopy of the same molecules in solution, we found that the interstate coherences exist in both liquid and surface systems, suggesting that the interstate coherence is not disrupted by surface interactions. However, by analyzing the 3D spectral lineshape, we found that the interstate coherences also experience non-negligible homogenous dephasing dynamics that originate from surface interactions. This unique ability of determining interstate vibrational coherence dynamics of the molecular monolayer can help in understanding of how energy flows within surface catalysts and other molecular monolayers.

Creating Open Textbooks: A Unique Partnership Between Oregon State University Libraries and Press and Open Oregon State

Directory of Open Access Journals (Sweden)

Faye A. Chadwell

2016-05-01

Full Text Available This article presents Oregon State University’s experience launching an innovative Open Textbook initiative in spring 2014. The partners, Open Oregon State and the Oregon State University Libraries and Press, aimed to reduce the cost of course materials for students while ensuring the content created was peer-reviewed and employed multimedia capabilities. This initiative sought to showcase existing and emerging disciplinary strengths of the University thus creating unique course content that could be shared globally. This article briefly describes the U.S. landscape for open textbook creation and adoption. It demonstrates how this unique partnership has developed, covering barriers and benefits, and what the future could hold for new projects.

Sub-Doppler spectroscopy of thioformaldehyde: Excited state perturbations and evidence for rotation-induced vibrational mixing in the ground state

International Nuclear Information System (INIS)

Clouthier, D.J.; Huang, G.; Adam, A.G.; Merer, A.J.

1994-01-01

High-resolution intracavity dye laser spectroscopy has been used to obtain sub-Doppler spectra of transitions to 350 rotational levels in the 4 1 0 band of the A 1 A 2 --X 1 A 1 electronic transition of thioformaldehyde. Ground state combination differences from the sub-Doppler spectra, combined with microwave and infrared data, have been used to improve the ground state rotational and centrifugal distortion constants of H 2 CS. The upper state shows a remarkable number of perturbations. The largest of these are caused by nearby triplet levels, with matrix elements of 0.05--0.15 cm -1 . A particularly clear singlet--triplet avoided crossing in K a ' = 7 has been shown to be caused by interaction with the F 1 component of the 3 1 6 2 vibrational level of the a 3 A 2 state. At least 53% of the S 1 levels show evidence of very small perturbations by high rovibronic levels of the ground state. The number of such perturbations is small at low J, but increases rapidly beyond J=5 such that 40%--80% of the observed S 1 levels of any given J are perturbed by ground state levels. Model calculations show that the density and J dependence of the number of perturbed levels can be explained if there is extensive rotation-induced mixing of the vibrational levels in the ground state

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

Science.gov (United States)

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

2006-04-20

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

Electro-mechanical vibration analysis of functionally graded piezoelectric porous plates in the translation state

Science.gov (United States)

Wang, Yan Qing

2018-02-01

To provide reference for aerospace structural design, electro-mechanical vibrations of functionally graded piezoelectric material (FGPM) plates carrying porosities in the translation state are investigated. A modified power law formulation is employed to depict the material properties of the plates in the thickness direction. Three terms of inertial forces are taken into account due to the translation of plates. The geometrical nonlinearity is considered by adopting the von Kármán non-linear relations. Using the d'Alembert's principle, the nonlinear governing equation of the out-of-plane motion of the plates is derived. The equation is further discretized to a system of ordinary differential equations using the Galerkin method, which are subsequently solved via the harmonic balance method. Then, the approximate analytical results are validated by utilizing the adaptive step-size fourth-order Runge-Kutta technique. Additionally, the stability of the steady state responses is examined by means of the perturbation technique. Linear and nonlinear vibration analyses are both carried out and results display some interesting dynamic phenomenon for translational porous FGPM plates. Parametric study shows that the vibration characteristics of the present inhomogeneous structure depend on several key physical parameters.

The solid-state terahertz spectrum of MDMA (Ecstasy) - A unique test for molecular modeling assignments

Science.gov (United States)

Allis, Damian G.; Hakey, Patrick M.; Korter, Timothy M.

2008-10-01

The terahertz (THz, far-infrared) spectrum of 3,4-methylene-dioxymethamphetamine hydrochloride (Ecstasy) is simulated using solid-state density functional theory. While a previously reported isolated-molecule calculation is noteworthy for the precision of its solid-state THz reproduction, the solid-state calculation predicts that the isolated-molecule modes account for only half of the spectral features in the THz region, with the remaining structure arising from lattice vibrations that cannot be predicted without solid-state molecular modeling. The molecular origins of the internal mode contributions to the solid-state THz spectrum, as well as the proper consideration of the protonation state of the molecule, are also considered.

Vibrational cooling of spin-stretched dimer states by He buffer gas: quantum calculations for Li2(a 3Sigma(u)+) at ultralow energies.

Science.gov (United States)

Bovino, S; Bodo, E; Yurtsever, E; Gianturco, F A

2008-06-14

The interaction between the triplet state of the lithium dimer, (7)Li(2), with (4)He is obtained from accurate ab initio calculations where the vibrational dependence of the potential is newly computed. Vibrational quenching dynamics within a coupled-channel quantum treatment is carried out at ultralow energies, and large differences in efficiency as a function of the initial vibrational state of the targets are found as one compares the triplet results with those of the singlet state of the same target.

State-to-state time-of-flight measurements of NO scattering from Au(111): direct observation of translation-to-vibration coupling in electronically nonadiabatic energy transfer.

Science.gov (United States)

Golibrzuch, Kai; Shirhatti, Pranav R; Altschäffel, Jan; Rahinov, Igor; Auerbach, Daniel J; Wodtke, Alec M; Bartels, Christof

2013-09-12

Translational motion is believed to be a spectator degree of freedom in electronically nonadiabatic vibrational energy transfer between molecules and metal surfaces, but the experimental evidence available to support this view is limited. In this work, we have experimentally determined the translational inelasticity in collisions of NO molecules with a single-crystal Au(111) surface-a system with strong electronic nonadiabaticity. State-to-state molecular beam surface scattering was combined with an IR-UV double resonance scheme to obtain high-resolution time-of-flight data. The measurements include vibrationally elastic collisions (v = 3→3, 2→2) as well as collisions where one or two quanta of molecular vibration are excited (2→3, 2→4) or de-excited (2→1, 3→2, 3→1). In addition, we have carried out comprehensive measurements of the effects of rotational excitation on the translational energy of the scattered molecules. We find that under all conditions of this work, the NO molecules lose a large fraction (∼0.45) of their incidence translational energy to the surface. Those molecules that undergo vibrational excitation (relaxation) during the collision recoil slightly slower (faster) than vibrationally elastically scattered molecules. The amount of translational energy change depends on the surface temperature. The translation-to-rotation coupling, which is well-known for v = 0→0 collisions, is found to be significantly weaker for vibrationally inelastic than elastic channels. Our results clearly show that the spectator view of the translational motion in electronically nonadiabatic vibrational energy transfer between NO and Au(111) is only approximately correct.

Quantum Monte Carlo for vibrating molecules

International Nuclear Information System (INIS)

Brown, W.R.; Lawrence Berkeley National Lab., CA

1996-08-01

Quantum Monte Carlo (QMC) has successfully computed the total electronic energies of atoms and molecules. The main goal of this work is to use correlation function quantum Monte Carlo (CFQMC) to compute the vibrational state energies of molecules given a potential energy surface (PES). In CFQMC, an ensemble of random walkers simulate the diffusion and branching processes of the imaginary-time time dependent Schroedinger equation in order to evaluate the matrix elements. The program QMCVIB was written to perform multi-state VMC and CFQMC calculations and employed for several calculations of the H 2 O and C 3 vibrational states, using 7 PES's, 3 trial wavefunction forms, two methods of non-linear basis function parameter optimization, and on both serial and parallel computers. In order to construct accurate trial wavefunctions different wavefunctions forms were required for H 2 O and C 3 . In order to construct accurate trial wavefunctions for C 3 , the non-linear parameters were optimized with respect to the sum of the energies of several low-lying vibrational states. In order to stabilize the statistical error estimates for C 3 the Monte Carlo data was collected into blocks. Accurate vibrational state energies were computed using both serial and parallel QMCVIB programs. Comparison of vibrational state energies computed from the three C 3 PES's suggested that a non-linear equilibrium geometry PES is the most accurate and that discrete potential representations may be used to conveniently determine vibrational state energies

General principles of vibrational spectroscopies

NARCIS (Netherlands)

Weckhuysen, B.M.; Schoonheydt, R.A.

2000-01-01

Atoms in molecules and solids do not remain in fixed relative positions, but vibrate about some mean position. This vibrational motion is quantized and at room temperature, most of the molecules in a given sample are in their lowest vibrational state. Absorption of electromagnetic radiation with

Laboratory characterization and astrophysical detection of vibrationally excited states of vinyl cyanide in Orion-KL

Science.gov (United States)

López, A.; Tercero, B.; Kisiel, Z.; Daly, A. M.; Bermúdez, C.; Calcutt, H.; Marcelino, N.; Viti, S.; Drouin, B. J.; Medvedev, I. R.; Neese, C. F.; Pszczółkowski, L.; Alonso, J. L.; Cernicharo, J.

2014-12-01

Context. We perform a laboratory characterization in the 18-1893 GHz range and astronomical detection between 80-280 GHz in Orion-KL with IRAM-30 m of CH2CHCN (vinyl cyanide) in its ground and vibrationally excited states. Aims: Our aim is to improve the understanding of rotational spectra of vibrationally excited vinyl cyanide with new laboratory data and analysis. The laboratory results allow searching for these excited state transitions in the Orion-KL line survey. Furthermore, rotational lines of CH2CHCN contribute to the understanding of the physical and chemical properties of the cloud. Methods: Laboratory measurements of CH2CHCN made on several different frequency-modulated spectrometers were combined into a single broadband 50-1900 GHz spectrum and its assignment was confirmed by Stark modulation spectra recorded in the 18-40 GHz region and by ab-initio anharmonic force field calculations. For analyzing the emission lines of vinyl cyanide detected in Orion-KL we used the excitation and radiative transfer code (MADEX) at LTE conditions. Results: Detailed characterization of laboratory spectra of CH2CHCN in nine different excited vibrational states: ν11 = 1, ν15 = 1, ν11 = 2, ν10 = 1 ⇔ (ν11 = 1,ν15 = 1), ν11 = 3/ν15 = 2/ν14 = 1, (ν11 = 1,ν10 = 1) ⇔ (ν11 = 2,ν15 = 1), ν9 = 1, (ν11 = 1,ν15 = 2) ⇔ (ν10 = 1,ν15 = 1) ⇔ (ν11 = 1,ν14 = 1), and ν11 = 4 are determined, as well as the detection of transitions in the ν11 = 2 and ν11 = 3 states for the first time in Orion-KL and of those in the ν10 = 1 ⇔ (ν11 = 1,ν15 = 1) dyad of states for the first time in space. The rotational transitions of the ground state of this molecule emerge from four cloud components of hot core nature, which trace the physical and chemical conditions of high mass star forming regions in the Orion-KL Nebula. The lowest energy vibrationally excited states of vinyl cyanide, such as ν11 = 1 (at 328.5 K), ν15 = 1 (at 478.6 K), ν11 = 2 (at 657.8 K), the ν10

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

African Journals Online (AJOL)

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

Studies of interstellar vibrationally-excited molecules

International Nuclear Information System (INIS)

Ziurys, L.M.; Snell, R.L.; Erickson, N.R.

1986-01-01

Several molecules thus far have been detected in the ISM in vibrationally-excited states, including H 2 , SiO, HC 3 N, and CH 3 CN. In order for vibrational-excitation to occur, these species must be present in unusually hot and dense gas and/or where strong infrared radiation is present. In order to do a more thorough investigation of vibrational excitation in the interstellar medium (ISM), studies were done of several mm-wave transitions originating in excited vibrational modes of HCN, an abundant interstellar molecule. Vibrationally-excited HCN was recently detected toward Orion-KL and IRC+10216, using a 12 meter antenna. The J=3-2 rotational transitions were detected in the molecule's lowest vibrational state, the bending mode, which is split into two separate levels, due to l-type doubling. This bending mode lies 1025K above ground state, with an Einstein A coefficient of 3.6/s. The J=3-2 line mode of HCN, which lies 2050K above ground state, was also observed toward IRC+10216, and subsequently in Orion-KL. Further measurements of vibrationally-excited HCN were done using a 14 meter telescope, which include the observations of the (0,1,0) and (0,2,0) modes towards Orion-KL, via their J=3-2 transitions at 265-267 GHz. The spectrum of the J=3-2 line in Orion taken with the 14 meter telescope, is shown, along with a map, which indicates that emission from vibrationally-excited HCN arises from a region probably smaller than the 14 meter telescope's 20 arcsec beam

Nuclear resonance scattering of synchrotron radiation as a unique electronic, structural and thermodynamic probe

International Nuclear Information System (INIS)

Alp, E. Ercan; Sturhahn, Wolfgang; Toellner, Thomas S.; Zhao, Jiyong; Leu, Bogdan M.

2012-01-01

Discovery of Moessbauer effect in a nuclear transition was a remarkable development. It revealed how long-lived nuclear states with relatively low energies in the kiloelectron volt (keV) region can be excited without recoil. This new effect had a unique feature involving a coupling between nuclear physics and solid-state physics, both in terms of physics and sociology. Physics coupling originates from the fact that recoilless emission and absorption or resonance is only possible if the requirement that nuclei have to be bound in a lattice with quantized vibrational states is fulfilled, and that the finite electron density on the nucleus couples to nuclear degrees of freedom leading to hyperfine interactions. thus, Moessbauer spectroscopy allows peering into solid-state effects using unique nuclear transitions. Sociological aspects of this coupling had been equally startling and fruitful. The interaction between diverse scientific communities, who learned to use Moessbauer spectroscopy proved to be very valuable. For example, biologists, geologists, chemists, physics, materials scientists, and archeologists, all sharing a common spectroscopic technique, also learned to appreciate the beauty and intricacies of each other's fields. As a laboratory-based technique, Moessbauer spectroscopy matured by the end of the 1970s. Further exciting developments took place when accelerator-based techniques were employed, like synchrotron radiation or 'in-beam'Moessbauer experiments with implanted radioactive ions. More recently, two Moessbauer spectrometers on the surface of the Mars kept the technique vibrant and viable up until present time. In this chapter, the authors look into some of the unique aspects of nuclear resonance excited with synchrotron radiation as a probe of condensed matter, including magnetism, valence, vibrations, and lattice dynamics, and review the development of nuclear resonance inelastic x-ray scattering (NRIXS) and synchrotron Moessbauer spectroscopy

Grey-box state-space identification of nonlinear mechanical vibrations

Science.gov (United States)

Noël, J. P.; Schoukens, J.

2018-05-01

The present paper deals with the identification of nonlinear mechanical vibrations. A grey-box, or semi-physical, nonlinear state-space representation is introduced, expressing the nonlinear basis functions using a limited number of measured output variables. This representation assumes that the observed nonlinearities are localised in physical space, which is a generic case in mechanics. A two-step identification procedure is derived for the grey-box model parameters, integrating nonlinear subspace initialisation and weighted least-squares optimisation. The complete procedure is applied to an electrical circuit mimicking the behaviour of a single-input, single-output (SISO) nonlinear mechanical system and to a single-input, multiple-output (SIMO) geometrically nonlinear beam structure.

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

International Nuclear Information System (INIS)

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

2002-01-01

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

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

CSIR Research Space (South Africa)

de Clercq, L

2010-09-01

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

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

International Nuclear Information System (INIS)

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

1978-01-01

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

Experimental chaos in nonlinear vibration isolation system

International Nuclear Information System (INIS)

Lou Jingjun; Zhu Shijian; He Lin; He Qiwei

2009-01-01

The chaotic vibration isolation method was studied thoroughly from an experimental perspective. The nonlinear load-deflection characteristic of the conical coil spring used in the experiment was surveyed. Chaos and subharmonic responses including period-2 and period-6 motions were observed. The line spectrum reduction and the drop of the acceleration vibration level in chaotic state and that in non-chaotic state were compared, respectively. It was concluded from the experiment that the nonlinear vibration isolation system in chaotic state has strong ability in line spectrum reduction.

Vibration analysis for trending ageing in rotating machinery

International Nuclear Information System (INIS)

Sinha, S.K.; Rama Rao, A.

2006-01-01

The need for condition monitoring system for important equipment and machinery is a growing requirement in every industry and more so in the nuclear power plants because of stringent safety requirements. This is largely because of the inherent benefit of being able to promote predictive maintenance practice rather than uneconomical preventive maintenance practice in the plant. Forerunner among the condition monitoring parameter is vibration signatures measured on a rotating machine. It is known that every moving element in a rotating machine generates vibration signal that is uniquely its own. Detection of such signals and monitoring the changing conditions in a machine through vibration analysis is a technique involving the knowledge of engineering art and the mathematical theory. This blend of sound engineering judgement and vibration data interpretation skill is in fact the basis of vibration diagnostic techniques. (author)

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-05-07

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

Are water simulation models consistent with steady-state and ultrafast vibrational spectroscopy experiments?

International Nuclear Information System (INIS)

Schmidt, J.R.; Roberts, S.T.; Loparo, J.J.; Tokmakoff, A.; Fayer, M.D.; Skinner, J.L.

2007-01-01

Vibrational spectroscopy can provide important information about structure and dynamics in liquids. In the case of liquid water, this is particularly true for isotopically dilute HOD/D 2 O and HOD/H 2 O systems. Infrared and Raman line shapes for these systems were measured some time ago. Very recently, ultrafast three-pulse vibrational echo experiments have been performed on these systems, which provide new, exciting, and important dynamical benchmarks for liquid water. There has been tremendous theoretical effort expended on the development of classical simulation models for liquid water. These models have been parameterized from experimental structural and thermodynamic measurements. The goal of this paper is to determine if representative simulation models are consistent with steady-state, and especially with these new ultrafast, experiments. Such a comparison provides information about the accuracy of the dynamics of these simulation models. We perform this comparison using theoretical methods developed in previous papers, and calculate the experimental observables directly, without making the Condon and cumulant approximations, and taking into account molecular rotation, vibrational relaxation, and finite excitation pulses. On the whole, the simulation models do remarkably well; perhaps the best overall agreement with experiment comes from the SPC/E model

Discovering Unique, Low-Energy Transition States Using Evolutionary Molecular Memetic Computing

DEFF Research Database (Denmark)

Ellabaan, Mostafa M Hashim; Ong, Y.S.; Handoko, S.D.

2013-01-01

In the last few decades, identification of transition states has experienced significant growth in research interests from various scientific communities. As per the transition states theory, reaction paths and landscape analysis as well as many thermodynamic properties of biochemical systems can...... be accurately identified through the transition states. Transition states describe the paths of molecular systems in transiting across stable states. In this article, we present the discovery of unique, low-energy transition states and showcase the efficacy of their identification using the memetic computing...... paradigm under a Molecular Memetic Computing (MMC) framework. In essence, the MMC is equipped with the tree-based representation of non-cyclic molecules and the covalent-bond-driven evolutionary operators, in addition to the typical backbone of memetic algorithms. Herein, we employ genetic algorithm...

Evaluation of vibration and vibration fatigue life for small bore pipe in nuclear power plants

International Nuclear Information System (INIS)

Wang Zhaoxi; Xue Fei; Gong Mingxiang; Ti Wenxin; Lin Lei; Liu Peng

2011-01-01

The assessment method of the steady state vibration and vibration fatigue life of the small bore pipe in the supporting system of the nuclear power plants is proposed according to the ASME-OM3 and EDF evaluation methods. The GGR supporting pipe system vibration is evaluated with this method. The evaluation process includes the filtration of inborn sensitivity, visual inspection, vibration tests, allowable vibration effective velocity calculation and vibration stress calculation. With the allowable vibration effective velocity calculated and the vibration velocity calculated according to the acceleration data tested, the filtrations are performed. The vibration stress at the welding coat is calculated with the spectrum method and compared with the allowable value. The response of the stress is calculated with the transient dynamic method, with which the fatigue life is evaluated with the Miners linear accumulation model. The vibration stress calculated with the spectrum method exceeds the allowable value, while the fatigue life calculated from the transient dynamic method is larger than the designed life with a big safety margin. (authors)

Electron-vibrational transitions under molecular ions collisions with slow electrons

International Nuclear Information System (INIS)

Andreev, E.A.

1993-01-01

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

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

International Nuclear Information System (INIS)

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

2012-01-01

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

Systematic vibration thermodynamic properties of bromine

Science.gov (United States)

Liu, G. Y.; Sun, W. G.; Liao, B. T.

2015-11-01

Based on the analysis of the maturity and finiteness of vibrational levels of bromine molecule in ground state and evaluating the effect on statistical computation, according to the elementary principles of quantum statistical theorem, using the full set of bromine molecular vibrational levels determined with algebra method, the statistical contribution for bromine systematical macroscopic thermodynamic properties is discussed. Thermodynamic state functions Helmholtz free energy, entropy and observable vibration heat capacity are calculated. The results show that the determination of full set of vibrational levels and maximum vibrational quantum number is the key in the correct statistical analysis of bromine systematical thermodynamic property. Algebra method results are clearly different from data of simple harmonic oscillator and the related algebra method results are no longer analytical but numerical and are superior to simple harmonic oscillator results. Compared with simple harmonic oscillator's heat capacities, the algebra method's heat capacities are more consistent with the experimental data in the given temperature range of 600-2100 K.

Unique rheological behavior of chitosan-modified nanoclay at highly hydrated state.

Science.gov (United States)

Liang, Songmiao; Liu, Linshu; Huang, Qingrong; Yam, Kit L

2009-04-30

This work attempts to explore the dynamic and steady-state rheological properties of chitosan modified clay (CMCs) at highly hydrated state. CMCs with different initial chitosan/clay weight ratios (s) were prepared from pre-exfoliated clay via electrostatic adsorption process. Thermogravimetric analysis and optical microscopy were used to determine the adsorbed content of chitosan (m) in CMCs and the microstructure of CMCs at highly hydrated state, respectively. Dynamic rheological results indicate that both stress-strain behavior and moduli of CMCs exhibit strong dependence on m. Shear-thinning behavior for all of CMCs is observed and further confirmed by steady-state shear test. Interestingly, two unique transitions, denoted as a small peak region of the shear viscosity for CMCs with m > 2.1% and a sharp drop region of the shear viscosity for CMCs with m unique transitions. Thixotropic effect was observed in CMCs and showed strong dependence on m and the preshearing history. Failure to Cox-Merz rule of the rheological behavior of CMCs suggests that some preferential orientation of the initial quiescent random arrangement of CMCs particles or their tactoids occurs under the applied shearing.

Mechanisms of Coupled Vibrational Relaxation and Dissociation in Carbon Dioxide.

Science.gov (United States)

Armenise, Iole; Kustova, Elena

2018-05-21

A complete vibrational state-specific kinetic scheme describing dissociating carbon dioxide mixtures is proposed. CO 2 symmetric, bending and asymmetric vibrations and dissociation-recombination are strongly coupled through inter-mode vibrational energy transfers. Comparative study of state-resolved rate coefficients is carried out; the effect of different transitions may vary considerably with temperature. A non-equilibrium 1-D boundary layer flow typical to hypersonic planetary entry is studied in the state-to-state approach. To assess the sensitivity of fluid-dynamic variables and heat transfer to various vibrational transitions and chemical reactions, corresponding processes are successively included to the kinetic scheme. It is shown that vibrational-translational (VT) transitions in the symmetric and asymmetric modes do not alter the flow and can be neglected whereas the VT 2 exchange in the bending mode is the main channel of vibrational relaxation. Inter-mode vibrational exchanges affect the flow implicitly, through energy redistribution enhancing VT relaxation; the dominating role belongs to near-resonant transitions between symmetric and bending modes as well as between CO molecules and CO 2 asymmetric mode. Strong coupling between VT 2 relaxation and chemical reactions is emphasized. While vibrational distributions and average vibrational energy show strong dependence on the kinetic scheme, the heat flux is more sensitive to chemical reactions.

Experimental and Computational Instrumentation for Rotorcraft Noise and Vibration Control Research at the Penn State Rotorcraft Center

National Research Council Canada - National Science Library

Smith, Edward

2001-01-01

A team of faculty at the Penn State Rotorcraft Center of Excellence has integrated five new facilities into a broad range of research and educational programs focused on rotorcraft noise and vibration control...

Resonance-enhanced multiphoton ionization (REMPI) spectroscopy of bromobenzene and its perdeuterated isotopologue: Assignment of the vibrations of the S{sub 0}, S{sub 1}, and D{sub 0}{sup +} states of bromobenzene and the S{sub 0} and D{sub 0}{sup +} states of iodobenzene

Energy Technology Data Exchange (ETDEWEB)

Andrejeva, Anna; Tuttle, William D.; Harris, Joe P.; Wright, Timothy G., E-mail: Tim.Wright@nottingham.ac.uk [School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD (United Kingdom)

2015-12-28

We report vibrationally resolved spectra of the S{sub 1}←S{sub 0} transition of bromobenzene using resonance-enhanced multiphoton ionization spectroscopy. We study bromobenzene-h{sub 5} as well as its perdeuterated isotopologue, bromobenzene-d{sub 5}. The form of the vibrational modes between the isotopologues and also between the S{sub 0} and S{sub 1} electronic states is discussed for each species, allowing assignment of the bands to be achieved and the activity between states and isotopologues to be established. Vibrational bands are assigned utilizing quantum chemical calculations, previous experimental results, and isotopic shifts. Previous work and assignments of the S{sub 1} spectra are discussed. Additionally, the vibrations in the ground state cation, D{sub 0}{sup +}, are considered, since these have also been used by previous workers in assigning the excited neutral state spectra. We also examine the vibrations of iodobenzene in the S{sub 0} and D{sub 0}{sup +} states and comment on the previous assignments of these. In summary, we have been able to assign the corresponding vibrations across the whole monohalobenzene series of molecules, in the S{sub 0}, S{sub 1}, and D{sub 0}{sup +} states, gaining insight into vibrational activity and vibrational couplings.

Torsion-inversion tunneling patterns in the CH-stretch vibrationally excited states of the G12 family of molecules including methylamine.

Science.gov (United States)

Dawadi, Mahesh B; Bhatta, Ram S; Perry, David S

2013-12-19

Two torsion-inversion tunneling models (models I and II) are reported for the CH-stretch vibrationally excited states in the G12 family of molecules. The torsion and inversion tunneling parameters, h(2v) and h(3v), respectively, are combined with low-order coupling terms involving the CH-stretch vibrations. Model I is a group theoretical treatment starting from the symmetric rotor methyl CH-stretch vibrations; model II is an internal coordinate model including the local-local CH-stretch coupling. Each model yields predicted torsion-inversion tunneling patterns of the four symmetry species, A, B, E1, and E2, in the CH-stretch excited states. Although the predicted tunneling patterns for the symmetric CH-stretch excited state are the same as for the ground state, inverted tunneling patterns are predicted for the asymmetric CH-stretches. The qualitative tunneling patterns predicted are independent of the model type and of the particular coupling terms considered. In model I, the magnitudes of the tunneling splittings in the two asymmetric CH-stretch excited states are equal to half of that in the ground state, but in model II, they differ when the tunneling rate is fast. The model predictions are compared across the series of molecules methanol, methylamine, 2-methylmalonaldehyde, and 5-methyltropolone and to the available experimental data.

Experimental Analysis of Steady-State Maneuvering Effects on Transmission Vibration Patterns Recorded in an AH-1 Cobra Helicopter

Science.gov (United States)

Huff, Edward M.; Dzwonczyk, Mark; Norvig, Peter (Technical Monitor)

2000-01-01

Flight experiment was designed primarily to determine the extent to which steady-state maneuvers influence characteristic vibration patterns measured at the input pinion and output annulus gear locations of the main transmission. If results were to indicate that maneuvers systematically influence vibration patterns, more extensive studies would be planned to explore the response surface. It was also designed to collect baseline data for comparison with experimental data to be recorded at a later date from test stands at Glenn Research Center. Finally, because this was the first vibration flight study on the Cobra aircraft, considerable energy was invested in developing an in-flight recording apparatus, as well as exploring acceleration mounting methods, and generally learning about the overall vibratory characteristics of the aircraft itself.

Determination of excitation temperature and vibrational temperature of the N2(C 3Πu, ν') state in Ne-N2 RF discharges

International Nuclear Information System (INIS)

Rehman, N U; Naveed, M A; Zakaullah, M; Khan, F U

2008-01-01

Optical emission spectroscopy is used to investigate the effect of neon mixing on the excitation and vibrational temperatures of the second positive system in nitrogen plasma generated by a 13.56 MHz RF generator. The excitation temperature is determined from Ne I line intensities, using Boltzmann's plot. The overpopulation of the levels of the N 2 (C 3 Π u , ν') states with neon mixing are monitored by measuring the emission intensities of the second positive system of nitrogen molecules. The vibrational temperature is calculated for the sequence Δν = -2, with the assumption that it follows Boltzmann's distribution. But due to overpopulation of levels, e.g. 1, 4, a linearization process was employed for such distributions allowing us to calculate the vibrational temperature of the N 2 (C 3 Π u , ν') state. It is found that the excitation temperature as well as the vibrational temperature of the second positive system can be raised significantly by mixing neon with nitrogen plasma. It is also found that the vibrational temperature increases with power and pressure up to 0.5 mbar.

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

International Nuclear Information System (INIS)

Shin, H.K.

1983-01-01

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

EEG Oscillatory States: Universality, Uniqueness and Specificity across Healthy-Normal, Altered and Pathological Brain Conditions

Science.gov (United States)

Fingelkurts, Alexander A.; Fingelkurts, Andrew A.

2014-01-01

For the first time the dynamic repertoires and oscillatory types of local EEG states in 13 diverse conditions (examined over 9 studies) that covered healthy-normal, altered and pathological brain states were quantified within the same methodological and conceptual framework. EEG oscillatory states were assessed by the probability-classification analysis of short-term EEG spectral patterns. The results demonstrated that brain activity consists of a limited repertoire of local EEG states in any of the examined conditions. The size of the state repertoires was associated with changes in cognition and vigilance or neuropsychopathologic conditions. Additionally universal, optional and unique EEG states across 13 diverse conditions were observed. It was demonstrated also that EEG oscillations which constituted EEG states were characteristic for different groups of conditions in accordance to oscillations’ functional significance. The results suggested that (a) there is a limit in the number of local states available to the cortex and many ways in which these local states can rearrange themselves and still produce the same global state and (b) EEG individuality is determined by varying proportions of universal, optional and unique oscillatory states. The results enriched our understanding about dynamic microstructure of EEG-signal. PMID:24505292

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

International Nuclear Information System (INIS)

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

2015-01-01

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

Spectroscopic parameters, vibrational levels, transition dipole moments and transition probabilities of the 9 low-lying states of the NCl+ cation

Science.gov (United States)

Yin, Yuan; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue

2018-03-01

This work calculates the potential energy curves of 9 Λ-S and 28 Ω states of the NCl+ cation. The technique employed is the complete active space self-consistent field method, which is followed by the internally contracted multireference configuration interaction approach with the Davidson correction. The Λ-S states are X2Π, 12Σ+, 14Π, 14Σ+, 14Σ-, 24Π, 14Δ, 16Σ+, and 16Π, which are yielded from the first two dissociation channels of NCl+ cation. The Ω states are generated from these Λ-S states. The 14Π, 14Δ, 16Σ+, and 16Π states are inverted with the spin-orbit coupling effect included. The 14Σ+, 16Σ+, and 16Π states are very weakly bound, whose well depths are only several-hundred cm- 1. One avoided crossing of PECs occurs between the 12Σ+ and 22Σ+ states. To improve the quality of potential energy curves, core-valence correlation and scalar relativistic corrections are included. The potential energies are extrapolated to the complete basis set limit. The spectroscopic parameters and vibrational levels are calculated. The transition dipole moments are computed. The Franck-Condon factors, Einstein coefficients, and radiative lifetimes of many transitions are determined. The spectroscopic approaches are proposed for observing these states according to the transition probabilities. The spin-orbit coupling effect on the spectroscopic and vibrational properties is evaluated. The spectroscopic parameters, vibrational levels, transition dipole moments, as well as transition probabilities reported in this paper could be considered to be very reliable.

Plutonium uniqueness

International Nuclear Information System (INIS)

Silver, G.L.

1984-01-01

A standard is suggested against which the putative uniqueness of plutonium may be tested. It is common folklore that plutonium is unique among the chemical elements because its four common oxidation states can coexist in the same solution. Whether this putative uniqueness appears only during transit to equilibrium, or only at equilibrium, or all of the time, is not generally made clear. But while the folklore may contain some truth, it cannot be put to test until some measure of 'uniqueness' is agreed upon so that quantitative comparisons are possible. One way of measuring uniqueness is as the magnitude of the product of the mole fractions of the element at equilibrium. A 'coexistence index' is defined and discussed. (author)

selective excitation of vibrational modes of polyatomic molecule

Indian Academy of Sciences (India)

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

Conditions for uniqueness of product representations for separable quantum channels and separable quantum states

International Nuclear Information System (INIS)

Cohen, Scott M.

2014-01-01

We give a sufficient condition that an operator sum representation of a separable quantum channel in terms of product operators is the unique product representation for that channel, and then provide examples of such channels for any number of parties. This result has implications for efforts to determine whether or not a given separable channel can be exactly implemented by local operations and classical communication. By the Choi-Jamiolkowski isomorphism, it also translates to a condition for the uniqueness of product state ensembles representing a given quantum state. These ideas follow from considerations concerning whether or not a subspace spanned by a given set of product operators contains at least one additional product operator

Nonlinear convergence active vibration absorber for single and multiple frequency vibration control

Science.gov (United States)

Wang, Xi; Yang, Bintang; Guo, Shufeng; Zhao, Wenqiang

2017-12-01

This paper presents a nonlinear convergence algorithm for active dynamic undamped vibration absorber (ADUVA). The damping of absorber is ignored in this algorithm to strengthen the vibration suppressing effect and simplify the algorithm at the same time. The simulation and experimental results indicate that this nonlinear convergence ADUVA can help significantly suppress vibration caused by excitation of both single and multiple frequency. The proposed nonlinear algorithm is composed of equivalent dynamic modeling equations and frequency estimator. Both the single and multiple frequency ADUVA are mathematically imitated by the same mechanical structure with a mass body and a voice coil motor (VCM). The nonlinear convergence estimator is applied to simultaneously satisfy the requirements of fast convergence rate and small steady state frequency error, which are incompatible for linear convergence estimator. The convergence of the nonlinear algorithm is mathematically proofed, and its non-divergent characteristic is theoretically guaranteed. The vibration suppressing experiments demonstrate that the nonlinear ADUVA can accelerate the convergence rate of vibration suppressing and achieve more decrement of oscillation attenuation than the linear ADUVA.

Resonant inelastic x-ray scattering and photoemission measurement of O2: Direct evidence for dependence of Rydberg-valence mixing on vibrational states in O 1s → Rydberg states

Science.gov (United States)

Gejo, T.; Oura, M.; Tokushima, T.; Horikawa, Y.; Arai, H.; Shin, S.; Kimberg, V.; Kosugi, N.

2017-07-01

High-resolution resonant inelastic x-ray scattering (RIXS) and low-energy photoemission spectra of oxygen molecules have been measured for investigating the electronic structure of Rydberg states in the O 1s → σ* energy region. The electronic characteristics of each Rydberg state have been successfully observed, and new assignments are made for several states. The RIXS spectra clearly show that vibrational excitation is very sensitive to the electronic characteristics because of Rydberg-valence mixing and vibronic coupling in O2. This observation constitutes direct experimental evidence that the Rydberg-valence mixing characteristic depends on the vibrational excitation near the avoided crossing of potential surfaces. We also measured the photoemission spectra of metastable oxygen atoms (O*) from O2 excited to 1s → Rydberg states. The broadening of the 4p Rydberg states of O* has been found with isotropic behavior, implying that excited oxygen molecules undergo dissociation with a lifetime of the order of 10 fs in 1s → Rydberg states.

Vibrational relaxation induced population inversions in laser pumped polyatomic molecules

International Nuclear Information System (INIS)

Shamah, I.; Flynn, G.; Columbia Univ., New York

1981-01-01

Conditions for population inversion in laser pumped polyatomic molecules are described. For systems which exhibit metastable vibrational population distributions, large, long lived inversions are possible even when the vibrational modes are strongly coupled by rapid collisional vibration-vibration (V-V) energy transfer. Overtone states of a hot mode are found to invert with respect to fundamental levels of a cold mode even at V-V steady state. Inversion persists for a V-T/R relaxation time. A gain of 4 m -1 for the 2ν 3 → ν 2 transition in CH 3 F (lambda approx. 15.9 μ) was found assuming a spontaneous emission lifetime of 10 s for this transition. General equations are derived which can be used to determine the magnitude of population inversion in any laser pumped, vibrationally metastable, polyatomic molecule. A discussion of factors controlling the population maxima of different vibrational states in optically pumped, V-V equilibrated metastable polyatomics is also given. (orig./WL)

Selective detection of crystalline cellulose in plant cell walls with sum-frequency-generation (SFG) vibration spectroscopy.

Science.gov (United States)

Barnette, Anna L; Bradley, Laura C; Veres, Brandon D; Schreiner, Edward P; Park, Yong Bum; Park, Junyeong; Park, Sunkyu; Kim, Seong H

2011-07-11

The selective detection of crystalline cellulose in biomass was demonstrated with sum-frequency-generation (SFG) vibration spectroscopy. SFG is a second-order nonlinear optical response from a system where the optical centrosymmetry is broken. In secondary plant cell walls that contain mostly cellulose, hemicellulose, and lignin with varying concentrations, only certain vibration modes in the crystalline cellulose structure can meet the noninversion symmetry requirements. Thus, SFG can be used to detect and analyze crystalline cellulose selectively in lignocellulosic biomass without extraction of noncellulosic species from biomass or deconvolution of amorphous spectra. The selective detection of crystalline cellulose in lignocellulosic biomass is not readily achievable with other techniques such as XRD, solid-state NMR, IR, and Raman analyses. Therefore, the SFG analysis presents a unique opportunity to reveal the cellulose crystalline structure in lignocellulosic biomass.

Application of neural networks and neutron noise for diagnostics of reactor internals vibration

International Nuclear Information System (INIS)

Garis, N.S.; Pazsit, I.; Gloeckler, O.

1995-01-01

It has long been known that vibration of reactor internals, in particular excessive vibrations of control rods, can be detected via the neutron noise they induce. Noise measurements are actually suitable to determine important diagnostic parameters such as the location of the vibrating rod and the vibration amplitude. An algorithm was earlier elaborated for this purpose, which is based on inversion of the expression describing the neutron noise as a function of vibration parameters. This inversion procedure is nevertheless complicated and not always unique. It was investigated whether a properly trained neural network can perform the inversion more effectively. It was found that artificial neural networks can be trained effectively to perform vibration diagnostics from neutron noise data fast, effectively and reliably. The present paper gives a description of the development and use of the neural networks for purposes of vibration diagnostics

Existence and uniqueness of Gibbs states for a statistical mechanical polyacetylene model

International Nuclear Information System (INIS)

Park, Y.M.

1987-01-01

One-dimensional polyacetylene is studied as a model of statistical mechanics. In a semiclassical approximation the system is equivalent to a quantum XY model interacting with unbounded classical spins in one-dimensional lattice space Z. By establishing uniform estimates, an infinite-volume-limit Hilbert space, a strongly continuous time evolution group of unitary operators, and an invariant vector are constructed. Moreover, it is proven that any infinite-limit state satisfies Gibbs conditions. Finally, a modification of Araki's relative entropy method is used to establish the uniqueness of Gibbs states

Direct observation of vibrational energy dispersal via methyl torsions.

Science.gov (United States)

Gardner, Adrian M; Tuttle, William D; Whalley, Laura E; Wright, Timothy G

2018-02-28

Explicit evidence for the role of methyl rotor levels in promoting energy dispersal is reported. A set of coupled zero-order vibration/vibration-torsion (vibtor) levels in the S 1 state of para -fluorotoluene ( p FT) are investigated. Two-dimensional laser-induced fluorescence (2D-LIF) and two-dimensional zero-kinetic-energy (2D-ZEKE) spectra are reported, and the assignment of the main features in both sets of spectra reveals that the methyl torsion is instrumental in providing a route for coupling between vibrational levels of different symmetry classes. We find that there is very localized, and selective, dissipation of energy via doorway states, and that, in addition to an increase in the density of states, a critical role of the methyl group is a relaxation of symmetry constraints compared to direct vibrational coupling.

Experience in WWER fuel assemblies vibration analysis

International Nuclear Information System (INIS)

Ovtcharov, O.; Pavelko, V.; Usanov, A.; Arkadov, G.; Dolgov, A.; Molchanov, V.

2003-01-01

It is stated that the vibration studies of internals and the fuel assemblies should be conducted during the reactor designing, commissioning and commercial operation stages and the analysis methods being used should complement each other. The present paper describes the methods and main results of the vibration noise studies of internals and the fuel assemblies of the operating NPPs with WWER reactors, as an example of the implementation of the comprehensive approach to the analysis on equipment flow-induced vibration. At that, the characteristics of internals and fuel assemblies vibration loading were dealt jointly as they are elements of the same compound oscillating system and their vibrations have the interrelated nature

Catalytic synthesis of ammonia using vibrationally excited nitrogen

DEFF Research Database (Denmark)

Henriksen, Niels Engholm; Billing, Gert D.; Hansen, Flemming Yssing

1992-01-01

In a previous study we have considered the catalytic synthesis of ammonia in the presence of vibrationally excited nitrogen. The distribution over vibrational states was assumed to be maintained during the reaction, and it was shown that the yield of ammonia increased considerably compared...... to that from conventional synthesis. In the present study the nitrogen molecules are only excited at the inlet of a plug flow reactor, and the importance of vibrational relaxation is investigated. We show that vibrational excitation can give an enhanced yield of ammonia also in the situation where vibrational...

Ground-state and pairing-vibrational bands with equal quadrupole collectivity in 124Xe

Science.gov (United States)

Radich, A. J.; Garrett, P. E.; Allmond, J. M.; Andreoiu, C.; Ball, G. C.; Bianco, L.; Bildstein, V.; Chagnon-Lessard, S.; Cross, D. S.; Demand, G. A.; Diaz Varela, A.; Dunlop, R.; Finlay, P.; Garnsworthy, A. B.; Hackman, G.; Hadinia, B.; Jigmeddorj, B.; Laffoley, A. T.; Leach, K. G.; Michetti-Wilson, J.; Orce, J. N.; Rajabali, M. M.; Rand, E. T.; Starosta, K.; Sumithrarachchi, C. S.; Svensson, C. E.; Triambak, S.; Wang, Z. M.; Wood, J. L.; Wong, J.; Williams, S. J.; Yates, S. W.

2015-04-01

The nuclear structure of 124Xe has been investigated via measurements of the β+/EC decay of 124Cs with the 8 π γ -ray spectrometer at the TRIUMF-ISAC facility. The data collected have enabled branching ratio measurements of weak, low-energy transitions from highly excited states, and the 2+→0+ in-band transitions have been observed. Combining these results with those from a previous Coulomb excitation study, B (E 2 ;23+→02+) =78 (13 ) W.u. and B (E 2 ;24+→03+) =53 (12 ) W.u. were determined. The 03+ state, in particular, is interpreted as the main fragment of the proton-pairing vibrational band identified in a previous 122Te (3He,n )124Xe measurement, and has quadrupole collectivity equal to, within uncertainty, that of the ground-state band.

Rate coefficients of exchange reactions accounting for vibrational excitation of reagents and products

Science.gov (United States)

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.

Synchrotron radiation in the Far-Infrared: Adsorbate-substrate vibrations and resonant interactions

International Nuclear Information System (INIS)

Hoffmann, F.M.; Williams, G.P.; Hirschmugl, C.J.; Chabal, Y.J.

1991-01-01

Synchrotron radiation in the Far Infrared offers the potential for a broadband source of high brightness and intensity. Recent development of a Far-Infrared Beamline at the NSLS in Brookhaven provides an unique high intensity source in the FIR spectral range (800-10 cm -1 ). This talk reviews its application to surface vibrational spectroscopy of low frequency adsorbate-substrate vibrations and resonant interactions on metal surfaces

Integrated predictive maintenance program vibration and lube oil analysis: Part I - history and the vibration program

Energy Technology Data Exchange (ETDEWEB)

Maxwell, H.

1996-12-01

This paper is the first of two papers which describe the Predictive Maintenance Program for rotating machines at the Palo Verde Nuclear Generating Station. The organization has recently been restructured and significant benefits have been realized by the interaction, or {open_quotes}synergy{close_quotes} between the Vibration Program and the Lube Oil Analysis Program. This paper starts with the oldest part of the program - the Vibration Program and discusses the evolution of the program to its current state. The {open_quotes}Vibration{close_quotes} view of the combined program is then presented.

Uniqueness of non-linear ground states for fractional Laplacians in R

DEFF Research Database (Denmark)

Frank, Rupert L.; Lenzmann, Enno

2013-01-01

We prove uniqueness of ground state solutions Q = Q(|x|) ≥ 0 of the non-linear equation (−Δ)sQ+Q−Qα+1=0inR,where 0 fractional Laplacian in one dimension. In particular, we answer affirmatively an open question...... recently raised by Kenig–Martel–Robbiano and we generalize (by completely different techniques) the specific uniqueness result obtained by Amick and Toland for s=12 and α = 1 in [5] for the Benjamin–Ono equation. As a technical key result in this paper, we show that the associated linearized operator L...... + = (−Δ) s +1−(α+1)Q α is non-degenerate; i.e., its kernel satisfies ker L + = span{Q′}. This result about L + proves a spectral assumption, which plays a central role for the stability of solitary waves and blowup analysis for non-linear dispersive PDEs with fractional Laplacians, such as the generalized...

State-to-State Mode Specificity: Energy Sequestration and Flow Gated by Transition State.

Science.gov (United States)

Zhao, Bin; Sun, Zhigang; Guo, Hua

2015-12-23

Energy flow and sequestration at the state-to-state level are investigated for a prototypical four-atom reaction, H2 + OH → H + H2O, using a transition-state wave packet (TSWP) method. The product state distribution is found to depend strongly on the reactant vibrational excitation, indicating mode specificity at the state-to-state level. From a local-mode perspective, it is shown that the vibrational excitation of the H2O product derives from two different sources, one attributable to the energy flow along the reaction coordinate into the newly formed OH bond and the other due to the sequestration of the vibrational energy in the OH spectator moiety during the reaction. The analysis provided a unified interpretation of some seemingly contradicting experimental observations. It is further shown that the transfer of vibrational energy from the OH reactant to H2O product is gated by the transition state, accomplished coherently by multiple TSWPs with the corresponding OH vibrational excitation.

Recent advances in micro-vibration isolation

Science.gov (United States)

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.

The vibrational Jahn–Teller effect in E⊗e systems

Energy Technology Data Exchange (ETDEWEB)

Thapaliya, Bishnu P.; Dawadi, Mahesh B.; Ziegler, Christopher; Perry, David S., E-mail: dperry@uakron.edu

2015-10-16

Highlights: • The vibrational Jahn–Teller effect is documented for three E⊗e molecular systems. • The spontaneous vibrational Jahn–Teller distortion is very small. • Vibrational Jahn–Teller splittings are substantial (1–60 cm{sup −1}). • Vibrational conical intersections in CH{sub 3}OH are accessible at low energies. - Abstract: The Jahn–Teller theorem is applied in the vibrational context where degenerate high-frequency vibrational states (E) are considered as adiabatic functions of low-frequency vibrational coordinates (e). For CH{sub 3}CN and Cr(C{sub 6}H{sub 6})(CO){sub 3}, the global minimum of the non-degenerate electronic potential energy surface occurs at the C{sub 3v} geometry, but in CH{sub 3}OH, the equilibrium geometry is far from the C{sub 3v} reference geometry. In the former cases, the computed spontaneous Jahn–Teller distortion is exceptionally small. In methanol, the vibrational Jahn–Teller interaction results in the splitting of the degenerate E-type CH stretch into what have been traditionally assigned as the distinct ν{sub 2} and ν{sub 9} vibrational bands. The ab initio vibrational frequencies are fit precisely by a two-state high-order Jahn–Teller Hamiltonian (Viel and Eisfeld, 2004). The presence of vibrational conical intersections, including 7 for CH{sub 3}OH, has implications for spectroscopy, for geometric phase, and for ultrafast localized non-adiabatic energy transfer.

Resummation of divergent perturbation series: Application to the vibrational states of H2CO molecule.

Science.gov (United States)

Duchko, A N; Bykov, A D

2015-10-21

Large-order Rayleigh-Schrödinger perturbation theory (RSPT) is applied to the calculation of anharmonic vibrational energy levels of H2CO molecule. We use the model of harmonic oscillators perturbed by anharmonic terms of potential energy. Since the perturbation series typically diverge due to strong couplings, we apply the algebraic approximation technique because of its effectiveness shown earlier by Goodson and Sergeev [J. Chem. Phys. 110, 8205 (1999); ibid. 124, 094111 (2006)] and in our previous articles [A. D. Bykov et al. Opt. Spectrosc. 114, 396 (2013); ibid. 116, 598 (2014)]. To facilitate the resummation of terms contributing to perturbed states, when resonance mixing between states is especially strong and perturbation series diverge very quick, we used repartition of the Hamiltonian by shifting the normal mode frequencies. Energy levels obtained by algebraic approximants were compared with the results of variational calculation. It was found that for low energy states (up to ∼5000 cm(-1)), algebraic approximants gave accurate values of energy levels, which were in excellent agreement with the variational method. For highly excited states, strong and multiple resonances complicate series resummation, but a suitable change of normal mode frequencies allows one to reduce the resonance mixing and to get accurate energy levels. The theoretical background of the problem of RSPT series divergence is discussed along with its numerical analysis. For these purposes, the vibrational energy is considered as a function of a complex perturbation parameter. Layout and classification of its singularities allow us to model the asymptotic behavior of the perturbation series and prove the robustness of the algorithm.

Multi-level Simulation of a Real Time Vibration Monitoring System Component

Science.gov (United States)

Robertson, Bryan A.; Wilkerson, Delisa

2005-01-01

This paper describes the development of a custom built Digital Signal Processing (DSP) printed circuit board designed to implement the Advanced Real Time Vibration Monitoring Subsystem proposed by Marshall Space Flight Center (MSFC) Transportation Directorate in 2000 for the Space Shuttle Main Engine Advanced Health Management System (AHMS). This Real Time Vibration Monitoring System (RTVMS) is being developed for ground use as part of the AHMS Health Management Computer-Integrated Rack Assembly (HMC-IRA). The HMC-IRA RTVMS design contains five DSPs which are highly interconnected through individual communication ports, shared memory, and a unique communication router that allows all the DSPs to receive digitized data fiom two multi-channel analog boards simultaneously. This paper will briefly cover the overall board design but will focus primarily on the state-of-the-art simulation environment within which this board was developed. This 16-layer board with over 1800 components and an additional mezzanine card has been an extremely challenging design. Utilization of a Mentor Graphics simulation environment provided the unique board and system level simulation capability to ascertain any timing or functional concerns before production. By combining VHDL, Synopsys Software and Hardware Models, and the Mentor Design Capture Environment, multiple simulations were developed to verify the RTVMS design. This multi-level simulation allowed the designers to achieve complete operability without error the first time the RTVMS printed circuit board was powered. The HMC-IRA design has completed all engineering and deliverable unit testing. P

The ground state hydrogen conformations and vibrational analysis of 2-, 3-, 4- and 5- dihydroxybenzaldehyde: A DFT study

International Nuclear Information System (INIS)

Cirak, C.; Saglam, A.; Ucun, F.

2010-01-01

The ground state hydrogen conformations of 2-, 3-, 4- and 5-dihydroxybenzaldehyde have been investigated using density functional theory (B3LYP) methods with 6-31G (d,p) basis set. The calculations have indicated that the compounds in the ground state exist with the carbonyl group O atom linked intra molecularly by the two hydrogen bonds of the two hydroxyl groups. The vibrational analyses of the ground state conformers of all the compounds were done and their optimized geometry parameters were given.

An improved model of radiative transfer for the NLTE problem in the NIR bands of CO2 and CO molecules in the daytime atmosphere of Mars. 2. Population of vibrational states

Science.gov (United States)

Ogibalov, V. P.; Shved, G. M.

2017-09-01

The near-infrared (NIR) emission of the Martian atmosphere in the CO2 bands at 4.3, 2.7, 2.0, 1.6, 1.4, 1.3, 1.2, and 1.05 µm and in the CO bands at 4.7, 2.3, 1.6, and 1.2 µm is mainly generated under nonlocal thermodynamic equilibrium (NLTE) conditions for vibrational states, the transitions from which form the specified bands. The paper presents the results of simulations of the population of these states under NLTE for daytime conditions. In the cold high-latitude troposphere, the NLTE takes place much lower than in the troposphere under typical temperature conditions. If the NIR-radiation reflection from the surface is ignored, the population of high vibrational states substantially decreases, at least, in some layer of the lower atmosphere. However, inelastic collisions of CO2 and CO molecules with O atoms produce no considerable influence on the values of populations. The population of vibrational states, the transitions from which form NIR bands, is also almost insensitive to possible large values of the quenching-in-collision rate constants of vibrational states higher than CO2(0001). However, very large errors in the estimates of the population of vibrational states of the CO2 molecule (rather than the CO molecule!) can be caused by the uncertainty in the values of the rate constant of exchange between CO2 molecules by the energy quantum of the asymmetric stretching vibrational mode. For this intermolecular exchange, we recommend a possible way to restrict the vibrational excitation degree of the molecule that is a collision partner and to maintain simultaneously a sufficiently high accuracy in the population estimate.

Anti-vibration bars for nuclear steam generators

International Nuclear Information System (INIS)

Gowda, B.V.; Wilson, R.M.; Wepfer, R.M.

1988-01-01

This patent describes anti-vibrations bars structurally supporting tubes carrying high-temperature coolant in a steam generator, the antivibration bars being disposed between adjacent rows of tubes and expanded from a rest state to an expanded state as pressure is applied to the interior of the anti-vibration bars, each of the anti-vibration bars being configured as a hollow member of a rectangular shape. The rectangular shape comprising a pair of opposing wall lengths and a pair of opposing wall widths, each of the wall lengths have a thickness greater than that of the wall widths to facilitate expansion of the opposing wall lengths away from each other and into contact respectively with tubes of adjacent rows, the wall lengths having sufficient rigidity to resist deformation as the bars are expanded to their expanded state so that the wall lengths make a line contact with their respective tubes

Vibrational states as a representations of a SU(6) group

International Nuclear Information System (INIS)

Abdulvahabova, S.G.; Barkhalova, N.Sh.; Bayramova, T.O.

2012-01-01

Full text : In any event it is proved that a description of collective states in terms of a SU(6) model might be appropriate, especially in the two limiting situations in which the approximate symmetries O + (5) and SU(3) occur. For nuclei whose spectrum is not too far from these exact symmetries it might be useful to use the respective unperturbed wave functions and energies. The symmetry structure of the nuclear many body system is in general very complex. However, since only few degrees of freedom play a dominant role in the description of the collective states, it is hoped that the Hamiltonian of the system when written in terms of these degrees of freedom has simple symmetry properties. It is important to notice that our collective Hamiltonian yields a finite energy matrix for a given value of N and a definite spin. This is a consequence of the symmetry properties of our collective operators. Because the boson-boson interaction in Hamiltonian splits the degeneracy of the multiplets, this limit describes an anharmonic vibrator. It is worth nothing that the knowledge of the invariance properties of the Hamiltonian provides directly a solution to the eigenvalue problem.

Phase diagrams, thermodynamic properties and sound velocities derived from a multiple Einstein method using vibrational densities of states : an application to MgO–SiO2

NARCIS (Netherlands)

Jacobs, Michael H G; Schmid-Fetzer, Rainer; van den Berg, Arie P.

2017-01-01

In a previous paper, we showed a technique that simplifies Kieffer’s lattice vibrational method by representing the vibrational density of states with multiple Einstein frequencies. Here, we show that this technique can be applied to construct a thermodynamic database that accurately represents

Evaluation Of State Of Rolling Bearings Mounted In Vehicles With Use Of Vibration Signals

Directory of Open Access Journals (Sweden)

Peruń G.

2015-09-01

Full Text Available The article is a continuation of the research carried out in order to determine the possibility of diagnosing bearings of cars’ wheels. The previous paper showed the results of metallographic research and the research carried out using vibroacoustic methods, with the use of vibration signals and frequency analysis. In this paper the results of further research will be presented, which used the acceleration signals again. To determine the state of the bearings this time simple amplitude measures were used.

Enhanced vibration diagnostics using vibration signature analysis

International Nuclear Information System (INIS)

Ahmed, S.; Shehzad, K.; Zahoor, Y.; Mahmood, A.; Bibi, A.

2001-01-01

Symptoms will appear in equipment, as well as in human beings. when 'suffering from sickness. Symptoms of abnormality in equipment are vibration, noise, deformation, temperature, pressure, electric current, crack, wearing, leakage etc. these are called modes of failure. If the mode of failure is vibration then the vibration signature analysis can be effectively used in order to diagnose the machinery problems. Much valuable information is contained within these vibration 'Spectra' or 'Signatures' but is only of use if the analyst can unlock its 'Secrets'. This paper documents a vibration problem in the motor of a centrifugal pump (Type ETA). It focuses mainly on the roll of modern vibration monitoring system in problem analysis. The problem experienced was the motor unstability and noise due to high vibration. Using enhanced vibration signature data, the problem was analyzed. which suggested that the rotor eccentricity was the cause of excessive noise and vibration in the motor. In conclusion, advanced electronic monitoring and diagnostic systems provide powerful information for machine's condition assessment and problem analysis. Appropriate interpretation and use of this information is important for accurate and effective vibration analysis. (author)

Resummation of divergent perturbation series: Application to the vibrational states of H2CO molecule

International Nuclear Information System (INIS)

Duchko, A. N.; Bykov, A. D.

2015-01-01

Large-order Rayleigh–Schrödinger perturbation theory (RSPT) is applied to the calculation of anharmonic vibrational energy levels of H 2 CO molecule. We use the model of harmonic oscillators perturbed by anharmonic terms of potential energy. Since the perturbation series typically diverge due to strong couplings, we apply the algebraic approximation technique because of its effectiveness shown earlier by Goodson and Sergeev [J. Chem. Phys. 110, 8205 (1999); ibid. 124, 094111 (2006)] and in our previous articles [A. D. Bykov et al. Opt. Spectrosc. 114, 396 (2013); ibid. 116, 598 (2014)]. To facilitate the resummation of terms contributing to perturbed states, when resonance mixing between states is especially strong and perturbation series diverge very quick, we used repartition of the Hamiltonian by shifting the normal mode frequencies. Energy levels obtained by algebraic approximants were compared with the results of variational calculation. It was found that for low energy states (up to ∼5000 cm −1 ), algebraic approximants gave accurate values of energy levels, which were in excellent agreement with the variational method. For highly excited states, strong and multiple resonances complicate series resummation, but a suitable change of normal mode frequencies allows one to reduce the resonance mixing and to get accurate energy levels. The theoretical background of the problem of RSPT series divergence is discussed along with its numerical analysis. For these purposes, the vibrational energy is considered as a function of a complex perturbation parameter. Layout and classification of its singularities allow us to model the asymptotic behavior of the perturbation series and prove the robustness of the algorithm

Vibration mechanism's isolation installed on the compliant base (Part I: Question State)

International Nuclear Information System (INIS)

Djuma, R.

2001-01-01

The main reason of noise and vibration aggravation in houses is the considerable increase of the number of sources because of building being equipped with engineering, sanitary, technical and other mechanical equipment (lifts, pumps, ventilation, conditioner, systems and others). Very often the equipment installed on the building's coverings, is not favorable from the acoustics point of view, in comparison with equipment that is installed on separate foundation or in the basement. Vibrations that appear on the coverings in the mechanism work through the joints and transfer to the joining buildings that in their part while vibration will take the sound of the adjacent buildings. Working in the mean time normative documents on projecting of machine's vibroisolation and equipment that guide projectors and builder's, recommend to make calculations of vibroisolation on the dynamic loading that is created by working equipment only on the basic vibration frequency. (author)

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-05-21

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

Nightglow vibrational distributions in the A3Σu+ and A'3Δu states of O2 derived from astronomical sky spectra

Directory of Open Access Journals (Sweden)

T. G. Slanger

2004-09-01

Full Text Available Astronomical sky spectra from the Keck I telescope on Mauna Kea have been used to obtain vibrational distributions in the O2A3Σu+ and O2(A'3Δu states from rotationally-resolved Herzberg I and Chamberlain band emissions in the terrestrial nightglow. The A3Σu+ distribution is similar to that presented in earlier publications, with the exception that there is significant population in the previously undiscerned v=0 level. The vibrational distributions of the A'3Δu and A3Σu+ states are essentially the same when comparison is made in terms of the level energies. The intensity of Chamberlain band emission at the peak of the distribution is about one-fourth that of the Herzberg I emission, as previously shown, and may be related primarily to radiative efficiency. The peaks in both population distributions are about 0.25eV below the O(3P+O(3P dissociation limit. We compare these Herzberg state distributions with that of the O2(b1Σg+ state, concurring with others that the intense nightglow emission associated with b1Σg+(v=0 is a reflection of direct transfer from the Herzberg states. This process takes place following O2 collisions, with simultaneous production of very high a1Δg and b1Σg+ vibrational levels.

Integrated active sensor system for real time vibration monitoring.

Science.gov (United States)

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

2015-11-05

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

A comparison study of steady-state vibrations with single fractional-order and distributed-order derivatives

Directory of Open Access Journals (Sweden)

Duan Jun-Sheng

2017-12-01

Full Text Available We conduct a detailed study and comparison for the one-degree-of-freedom steady-state vibrations under harmonic driving with a single fractional-order derivative and a distributed-order derivative. For each of the two vibration systems, we consider the stiffness contribution factor and damping contribution factor of the term of fractional derivatives, the amplitude and the phase difference for the response. The effects of driving frequency on these response quantities are discussed. Also the influences of the order α of the fractional derivative and the parameter γ parameterizing the weight function in the distributed-order derivative are analyzed. Two cases display similar response behaviors, but the stiffness contribution factor and damping contribution factor of the distributed-order derivative are almost monotonic change with the parameter γ, not exactly like the case of single fractional-order derivative for the order α. The case of the distributed-order derivative provides us more options for the weight function and parameters.

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

Science.gov (United States)

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

2018-04-01

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

The millimeter-wave spectrum of highly vibrationally excited SiO

International Nuclear Information System (INIS)

Mollaaghababa, R.; Gottlieb, C.A.; Vrtilek, J.M.; Thaddeus, P.

1991-01-01

The millimeter-wave rotational spectra of SiO in high vibrational states (v = 0-40) in its electronic ground state were measured between 228 and 347 GHz in a laboratory discharge through SiH4 and CO. On ascending the vibrational ladder, populations decline precipitously for the first few levels, with a vibrational temperature of about 1000 K; at v of roughly 3, however, they markedly flatten out, and from there to v of roughly 40 the temperature is of the order of 10,000 K. With the Dunham coefficients determined here, the rotational spectrum of highly vibrationally excited SiO can now be calculated into the far-infrared to accuracies required for radioastronomy. Possible astronomical sources of highly vibrationally excited SiO are certain stellar atmospheres, ultracompact H II regions, very young supernova ejecta, and dense interstellar shocks. 16 refs

Quasiparticles and Nuclear Vibrational States; Kvazichastitsy i vibratsionnye sostoyaniya yader

Energy Technology Data Exchange (ETDEWEB)

Sorensen, R. A. [Carnegie-Mellon University, Pittsburgh, PA (United States)

1968-12-15

The level structure associated with various nuclear vibrations is described. It is shown how these vibrations are described in terms of particle or quasi - particle excitations by means of the harmonic random phase approximation. Vibrations corresponding to different modes of excitation are compared. Motions corresponding to the enhancement of three different simple operators are considered: (a) the E2 one-body operator, (b) the operator causing the removal or addition of a like, zero-coupled pair of nucleons from the nucleus, and (c) the operator for allowed beta decay which changes one proton to a neutron or one neutron to a proton. (author) [Russian] Da etsja opisanie str u ktu ry urovnej, svjazannyh s razlichnymi jadernymi kolebanijami. Pokazano, kak takie vibracii mogut byt' opisany s pomoshh'ju chastichnyh i kvazichastichnyh vozbuzhdenij v garmonicheskom priblizhenii metoda sluchajnyhfaz. Sravnivajutsja kolebanija, sootvetstvujushhie razlichnym tipam vozbuzhdenij. R assm atrivaju tsja dvizhenija, sootvetstvujushhie uvelicheniju trehraz lichnyh prostyh operatorov: a) odnochastichnyj operator E2-perehoda, v) operator pogloshhenija ili porozhdenija sparennyh nuklonov s nulevym momentom, s) operator razreshennogo /3-raspada, zamenjajushhij proton na nejtron ili nejtron na proton. (author)

Vibrational lifetimes of protein amide modes

International Nuclear Information System (INIS)

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

1995-01-01

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

Multipole pair vibrations in superfluid 3He

International Nuclear Information System (INIS)

Baldo, M.; Giansiracusa, G.; Lombardo, U.; Pucci, R.; Petronio, G.

1978-01-01

Starting from a path integral formation of the 3 He superfluidity, the authors study the pair vibrations around the BCS solution. For both the BW and ABM states get a set of possible excitations. In particular it is shown that a new type of excitation is present for pure 1 = 2 spin singlet vibration. (Auth.)

Molecular Geometry And Vibrational Spectra of 2'-chloroacetanilide

International Nuclear Information System (INIS)

Gokce, H.

2008-01-01

The molecular structure, vibrational frequencies and the corresponding vibrational assingments of 2'-chloroacetanilide in the ground state have been calculated by using Hartree-Fock (HF) and Density Functional Theory (DFT/B3LYP) methods with 6-311++G(d,p) basis set. The obtained vibrational frequencies and optimized geometric parameters (bond lenghts and angles) are in very good agreement with the experimental data. The comparison of the observed and calculated vibrational frequencies assignments of 2'-chloroacetanilide exhibit that the scaled DFT/B3LYP method is superior to be scaled HF method. Furthermore the calculated Infrared and Raman intensities are also reported

State space approach for the vibration of nanobeams based on the nonlocal thermoelasticity theory without energy dissipation

Energy Technology Data Exchange (ETDEWEB)

Zenkour, A. M.; Alnefaie, K. A.; Abu-Hamdeh, N. H.; Aljinaid, A. A.; Aifanti, E. C. [King Abdulaziz University, Jeddah (Saudi Arabia); Abouelregal, A. E. [Mansoura University, Mansoura (Egypt)

2015-07-15

In this article, an Euler-Bernoulli beam model based upon nonlocal thermoelasticity theory without energy dissipation is used to study the vibration of a nanobeam subjected to ramp-type heating. Classical continuum theory is inherently size independent, while nonlocal elasticity exhibits size dependence. Among other things, this leads to a new expression for the effective nonlocal bending moment as contrasted to its classical counterpart. The thermal problem is addressed in the context of the Green-Naghdi (GN) theory of heat transport without energy dissipation. The governing partial differential equations are solved in the Laplace transform domain by the state space approach of modern control theory. Inverse of Laplace transforms are computed numerically using Fourier expansion techniques. The effects of nonlocality and ramping time parameters on the lateral vibration, temperature, displacement and bending moment are discussed.

Fragmentation of two-phonon {gamma}-vibrational strength in deformed nuclei

Energy Technology Data Exchange (ETDEWEB)

Wu, C.Y.; Cline, D. [Univ. of Rochester, NY (United States)

1996-12-31

Rotational and vibrational modes of collective motion. are very useful in classifying the low-lying excited states in deformed nuclei. The rotational mode of collective motion is characterized by rotational bands having correlated level energies and strongly-enhanced E2 matrix elements. The lowest intrinsic excitation with I,K{sup {pi}} = 2,2{sup +} in even-even deformed nuclei, typically occurring at {approx}1 MeV, is classified as a one-phonon {gamma}-vibration state. In a pure harmonic vibration limit, the expected two-phonon {gamma}-vibration states with I,K{sup {pi}} = 0,0{sup +} and 4,4{sup +} should have excitation energies at twice that of the I,K{sup {pi}} = 2,2{sup +} excitation, i.e. {approx}2 MeV, which usually is above the pairing gap leading to possible mixing with two-quasiparticle configurations. Therefore, the question of the localization of two-phonon {gamma}-vibration strength has been raised because mixing may lead to fragmentation of the two-phonon strength over a range of excitation energy. For several well-deformed nuclei, an assignment of I,K{sup {pi}}=4,4{sup +} states as being two-phonon vibrational excitations has been suggested based on the excitation energies and the predominant {gamma}-ray decay to the I,K{sup {pi}}=2,2{sup +} state. However, absolute B(E2) values connecting the presumed two- and one-phonon states are the only unambiguous measure of double phonon excitation. Such B(E2) data are available for {sup 156}Gd, {sup 160}Dy, {sup 168}Er, {sup 232}Th, and {sup 186,188,190,192}Os. Except for {sup 160}Dy, the measured B(E2) values range from 2-3 Weisskopf units in {sup 156}Gd to 10-20 Weisskopf units in osmium nuclei; enhancement that is consistent with collective modes of motion.

Vibration dynamics of single atomic nanocontacts

International Nuclear Information System (INIS)

Khater, A; Bourahla, B; Tigrine, R

2007-01-01

The motivation for this work is to introduce a model for an atomic nanocontact, whereby its mechanical properties can be analysed via the local spectra. The model system consists of two sets of triple parallel semi-infinite atomic chains joined by a single atom in between. We calculate the vibration spectra and the local densities of vibration states, in the harmonic approximation, for the irreducible set of sites that constitute the nanocontact domain. The nanocontact observables are numerically calculated for different cases of elastic hardening and softening, to investigate how the local dynamics can respond to changes in the microscopic environment on the domain. We have also calculated the phonon scattering and coherent conductance at the nanocontact, derived in a Landauer-Buettiker matrix approach. The analysis of the spectra, of the densities of vibration states, and of the phonon conductance, identifies characteristic features and demonstrates the central role of a core subset of sites in the nanocontact domain

Review of magnetostrictive vibration energy harvesters

Science.gov (United States)

Deng, Zhangxian; Dapino, Marcelo J.

2017-10-01

The field of energy harvesting has grown concurrently with the rapid development of portable and wireless electronics in which reliable and long-lasting power sources are required. Electrochemical batteries have a limited lifespan and require periodic recharging. In contrast, vibration energy harvesters can supply uninterrupted power by scavenging useful electrical energy from ambient structural vibrations. This article reviews the current state of vibration energy harvesters based on magnetostrictive materials, especially Terfenol-D and Galfenol. Existing magnetostrictive harvester designs are compared in terms of various performance metrics. Advanced techniques that can reduce device size and improve performance are presented. Models for magnetostrictive devices are summarized to guide future harvester designs.

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-05-14

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

Relaxation dynamics and coherent energy exchange in coupled vibration-cavity polaritons (Conference Presentation)

Science.gov (United States)

Simpkins, Blake S.; Fears, Kenan P.; Dressick, Walter J.; Dunkelberger, Adam D.; Spann, Bryan T.; Owrutsky, Jeffrey C.

2016-09-01

Coherent coupling between an optical transition and confined optical mode have been investigated for electronic-state transitions, however, only very recently have vibrational transitions been considered. Here, we demonstrate both static and dynamic results for vibrational bands strongly coupled to optical cavities. We experimentally and numerically describe strong coupling between a Fabry-Pérot cavity and carbonyl stretch ( 1730 cm 1) in poly-methylmethacrylate and provide evidence that the mixed-states are immune to inhomogeneous broadening. We investigate strong and weak coupling regimes through examination of cavities loaded with varying concentrations of a urethane monomer. Rabi splittings are in excellent agreement with an analytical description using no fitting parameters. Ultrafast pump-probe measurements reveal transient absorption signals over a frequency range well-separated from the vibrational band, as well as drastically modified relaxation rates. We speculate these modified kinetics are a consequence of the energy proximity between the vibration-cavity polariton modes and excited state transitions and that polaritons offer an alternative relaxation path for vibrational excitations. Varying the polariton energies by angle-tuning yields transient results consistent with this hypothesis. Furthermore, Rabi oscillations, or quantum beats, are observed at early times and we see evidence that these coherent vibration-cavity polariton excitations impact excited state population through cavity losses. Together, these results indicate that cavity coupling may be used to influence both excitation and relaxation rates of vibrations. Opening the field of polaritonic coupling to vibrational species promises to be a rich arena amenable to a wide variety of infrared-active bonds that can be studied in steady state and dynamically.

Microscopic structure of high-spin vibrational states in superdeformed A=190 nuclei

Energy Technology Data Exchange (ETDEWEB)

Nakatsukasa, Takashi [Chalk River Labs., Ontario (Canada); Matsuyanagi, Kenichi [Kyoto Univ. (Japan); Mizutori, Shoujirou [Oak Ridge National Lab., TN (United States)] [and others

1996-12-31

Microscopic RPA calculations based on the cranked shell model are performed to investigate the quadrupole and octupole correlations for excited superdeformed (SD) bands in even-even A=190 nuclei. The K = 2 octupole vibrations are predicted to be the lowest excitation modes at zero rotational frequency. The Coriolis coupling at finite frequency produces different effects depending on the neutron and proton number of nucleus. The calculations also indicate that some collective excitations may produce moments of inertia almost identical to those of the yrast SD band. An interpretation of the observed excited bands invoking the octupole vibrations is proposed, which suggests those octupole vibrations may be prevalent in even-even SD A=190 nuclei.

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

Science.gov (United States)

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

2017-10-01

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

14th International Conference on Acoustics and Vibration of Mechanical Structures

CERN Document Server

Marinca, Vasile

2018-01-01

This book is a collection of papers presented at Acoustics and Vibration of Mechanical Structures 2017 – AVMS 2017 – highlighting the current trends and state-of-the-art developments in the field. It covers a broad range of topics, such as noise and vibration control, noise and vibration generation and propagation, the effects of noise and vibration, condition monitoring and vibration testing, modeling, prediction and simulation of noise and vibration, environmental and occupational noise and vibration, noise and vibration attenuators, as well as biomechanics and bioacoustics. The book also presents analytical, numerical and experimental techniques for evaluating linear and non-linear noise and vibration problems (including strong nonlinearity). It is primarily intended for academics, researchers and professionals, as well as PhD students in various fields of the acoustics and vibration of mechanical structures.

Axisymmetric vibrations of thin shells of revolution

International Nuclear Information System (INIS)

Suzuki, Katsuyoshi; Kikuchi, Norio; Kosawada, Tadashi; Takahashi, Shin

1983-01-01

The problem of free vibration of axisymmetric shells of revolution is important in connection with the design of pressure vessels, chemical equipment, aircrafts, structures and so on. In this study, the axisymmetrical vibration of a thin shell of revolution having a constant curvature in meridian direction was analyzed by thin shell theory. First, the Lagrangian during one period of the vibration of a shell of revolution was determined by the primary approximate theory of Love, and the vibration equations and boundary conditions were derived from its stopping condition. The vibration equations were strictly analyzed by using the series solution. The basic equations for the strain and strain energy of a shell were based on those of Novozhilov. As the examples of numerical calculation, the natural frequency and vibration mode of the symmetrical shells of revolution fixed at both ends and supported at both ends were determined, and their characteristics were clarified. The theory and the numerical calculation ore described. Especially in the frequency curves, the waving phenomena were observed frequently, which were not seen in non-axisymmetric vibration, accordingly also the vibration mode changed in complex state on the frequency curves of same order. The numerical calculation was carried out in the large computer center in Tohoku University. (Kako, I.)

Near-degeneracy in Excited Vibrational States of 207PbF

Science.gov (United States)

Mawhorter, Richard; Nguyen, Alexander; Kim, Yongrak; Biekert, Andreas; Sears, Trevor; Grabow, Jens-Uwe; Kudashov, A. D.; Skripnikov, L. V.; Titov, A. V.; Petrov, A. N.

2017-04-01

High-resolution Fourier transform microwave (FTMW) spectroscopy studies of 207PbF have demonstrated the near-degeneracy of two levels of opposite parity. These have attracted attention for the study of parity violation effects and the variation of fundamental constants using 207PbF. Further theoretical work has improved our detailed understanding of both 207PbF and 208PbF, and furthermore recently indicated that the finely split +/- parity levels grow monotonically closer for higher vibrational states. Our experimental results for v = 0-3 confirm this, and are in excellent agreement with our extended theoretical calculations up to v = 4; both will be presented. TJS acknowledges support from Contract No. DE-SC0012704 with the U.S. Department of Energy, Office of Science, supported by its Division of Chemical Sciences, Geosciences and Biosciences within the Office of Basic Energy Sciences., as do RM, AB, YK, & AN from Pomona College & J-UG from the Deutsche Forschungsgemeinschaft (DFG).

Application of Sub-Micrometer Vibrations to Mitigate Bacterial Adhesion

Directory of Open Access Journals (Sweden)

Will R. Paces

2014-03-01

Full Text Available As a prominent concern regarding implantable devices, eliminating the threat of opportunistic bacterial infection represents a significant benefit to both patient health and device function. Current treatment options focus on chemical approaches to negate bacterial adhesion, however, these methods are in some ways limited. The scope of this study was to assess the efficacy of a novel means of modulating bacterial adhesion through the application of vibrations using magnetoelastic materials. Magnetoelastic materials possess unique magnetostrictive property that can convert a magnetic field stimulus into a mechanical deformation. In vitro experiments demonstrated that vibrational loads generated by the magnetoelastic materials significantly reduced the number of adherent bacteria on samples exposed to Escherichia coli, Staphylococcus epidermidis and Staphylococcus aureus suspensions. These experiments demonstrate that vibrational loads from magnetoelastic materials can be used as a post-deployment activated means to deter bacterial adhesion and device infection.

Excited-state intramolecular hydrogen transfer (ESIHT) of 1,8-Dihydroxy-9,10-anthraquinone (DHAQ) characterized by ultrafast electronic and vibrational spectroscopy and computational modeling

KAUST Repository

Mohammed, Omar F.

2014-05-01

We combine ultrafast electronic and vibrational spectroscopy and computational modeling to investigate the photoinduced excited-state intramolecular hydrogen-transfer dynamics in 1,8-dihydroxy-9,10-anthraquinone (DHAQ) in tetrachloroethene, acetonitrile, dimethyl sulfoxide, and methanol. We analyze the electronic excited states of DHAQ with various possible hydrogen-bonding schemes and provide a general description of the electronic excited-state dynamics based on a systematic analysis of femtosecond UV/vis and UV/IR pump-probe spectroscopic data. Upon photoabsorption at 400 nm, the S 2 electronic excited state is initially populated, followed by a rapid equilibration within 150 fs through population transfer to the S 1 state where DHAQ exhibits ESIHT dynamics. In this equilibration process, the excited-state population is distributed between the 9,10-quinone (S2) and 1,10-quinone (S1) states while undergoing vibrational energy redistribution, vibrational cooling, and solvation dynamics on the 0.1-50 ps time scale. Transient UV/vis pump-probe data in methanol also suggest additional relaxation dynamics on the subnanosecond time scale, which we tentatively ascribe to hydrogen bond dynamics of DHAQ with the protic solvent, affecting the equilibrium population dynamics within the S2 and S1 electronic excited states. Ultimately, the two excited singlet states decay with a solvent-dependent time constant ranging from 139 to 210 ps. The concomitant electronic ground-state recovery is, however, only partial because a large fraction of the population relaxes to the first triplet state. From the similarity of the time scales involved, we conjecture that the solvent plays a crucial role in breaking the intramolecular hydrogen bond of DHAQ during the S2/S1 relaxation to either the ground or triplet state. © 2014 American Chemical Society.

Description of low-lying vibrational Kπ≠0+ states of deformed nuclei in the quasiparticle-phonon nuclear model

International Nuclear Information System (INIS)

Soloviev, V.G.; Shirikova, N.Yu.

1989-01-01

The QPNM equations are derived taking account of p-h and p-p interactions. The calculated quadrupole, octupole and hexadecapole vibrational states in 168 Er, 172 Yb and 178 Hf are found to be in reasonable agreement with experimental data. It is shown that distribution of the Eλ strength in some deformed nuclei differs from the standard one. There are cases when for a given K π the Eλ strength is concentrated not on the first but on higher-lying states. The assertion made earlier about the absence of collective two-phonon states in deformed nuclei is confirmed. (orig.)

Description of low-lying vibrational Kπ ≠ 0+ states of deformed nuclei in the quasiparticle-phonon nuclear model

International Nuclear Information System (INIS)

Solov'ev, V.G.; Shirikova, N.Yu.

1989-01-01

The QPNM equations are derived taking account of p-h and p-p interactions. The calculated quadrupole, octupole and hexadecapole vibrational states in 168 Er, 172 Yb and 178 Hf are found to be reasonale agreement with experimental data. It is shown that distribution of the Eλ strength in some deformed nuclei differs from the standard one. There are cases when for a given K π and Eλ strength is concentrated not on the first but on higher-lying states. The assertion made earlier about the absence of collective two-phonon states in deformed nuclei is confirmed. 44 refs.; 1 fig.; 6 tabs

Experimental evaluation of vibrations in heat exchangers

International Nuclear Information System (INIS)

Martin Ghiselli, A.

1997-01-01

Flow induced vibrations may produce damage of heat exchangers, condensers and steam generators tubes. To evaluate this problem a set of tests were developed to know the real support state of the tubes, which have great influence on the vibration response. This paper include a description of the tests and the results obtained applying them on a heat exchanger equipment. (author) [es

Similarity-transformed equation-of-motion vibrational coupled-cluster theory

Science.gov (United States)

Faucheaux, Jacob A.; Nooijen, Marcel; Hirata, So

2018-02-01

A similarity-transformed equation-of-motion vibrational coupled-cluster (STEOM-XVCC) method is introduced as a one-mode theory with an effective vibrational Hamiltonian, which is similarity transformed twice so that its lower-order operators are dressed with higher-order anharmonic effects. The first transformation uses an exponential excitation operator, defining the equation-of-motion vibrational coupled-cluster (EOM-XVCC) method, and the second uses an exponential excitation-deexcitation operator. From diagonalization of this doubly similarity-transformed Hamiltonian in the small one-mode excitation space, the method simultaneously computes accurate anharmonic vibrational frequencies of all fundamentals, which have unique significance in vibrational analyses. We establish a diagrammatic method of deriving the working equations of STEOM-XVCC and prove their connectedness and thus size-consistency as well as the exact equality of its frequencies with the corresponding roots of EOM-XVCC. We furthermore elucidate the similarities and differences between electronic and vibrational STEOM methods and between STEOM-XVCC and vibrational many-body Green's function theory based on the Dyson equation, which is also an anharmonic one-mode theory. The latter comparison inspires three approximate STEOM-XVCC methods utilizing the common approximations made in the Dyson equation: the diagonal approximation, a perturbative expansion of the Dyson self-energy, and the frequency-independent approximation. The STEOM-XVCC method including up to the simultaneous four-mode excitation operator in a quartic force field and its three approximate variants are formulated and implemented in computer codes with the aid of computer algebra, and they are applied to small test cases with varied degrees of anharmonicity.

The effects of vibration-reducing gloves on finger vibration

Science.gov (United States)

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

Uniqueness and non-uniqueness of semigroups generated by singular diffusion operators

CERN Document Server

Eberle, Andreas

1999-01-01

This book addresses both probabilists working on diffusion processes and analysts interested in linear parabolic partial differential equations with singular coefficients. The central question discussed is whether a given diffusion operator, i.e., a second order linear differential operator without zeroth order term, which is a priori defined on test functions over some (finite or infinite dimensional) state space only, uniquely determines a strongly continuous semigroup on a corresponding weighted Lp space. Particular emphasis is placed on phenomena causing non-uniqueness, as well as on the relation between different notions of uniqueness appearing in analytic and probabilistic contexts.

Resummation of divergent perturbation series: Application to the vibrational states of H{sub 2}CO molecule

Energy Technology Data Exchange (ETDEWEB)

Duchko, A. N. [National Research Tomsk Polytechnic University, Tomsk (Russian Federation); V.E. Zuev Institute of Atmospheric Optics, Tomsk (Russian Federation); Bykov, A. D., E-mail: adbykov@rambler.ru [V.E. Zuev Institute of Atmospheric Optics, Tomsk (Russian Federation)

2015-10-21

Large-order Rayleigh–Schrödinger perturbation theory (RSPT) is applied to the calculation of anharmonic vibrational energy levels of H{sub 2}CO molecule. We use the model of harmonic oscillators perturbed by anharmonic terms of potential energy. Since the perturbation series typically diverge due to strong couplings, we apply the algebraic approximation technique because of its effectiveness shown earlier by Goodson and Sergeev [J. Chem. Phys. 110, 8205 (1999); ibid. 124, 094111 (2006)] and in our previous articles [A. D. Bykov et al. Opt. Spectrosc. 114, 396 (2013); ibid. 116, 598 (2014)]. To facilitate the resummation of terms contributing to perturbed states, when resonance mixing between states is especially strong and perturbation series diverge very quick, we used repartition of the Hamiltonian by shifting the normal mode frequencies. Energy levels obtained by algebraic approximants were compared with the results of variational calculation. It was found that for low energy states (up to ∼5000 cm{sup −1}), algebraic approximants gave accurate values of energy levels, which were in excellent agreement with the variational method. For highly excited states, strong and multiple resonances complicate series resummation, but a suitable change of normal mode frequencies allows one to reduce the resonance mixing and to get accurate energy levels. The theoretical background of the problem of RSPT series divergence is discussed along with its numerical analysis. For these purposes, the vibrational energy is considered as a function of a complex perturbation parameter. Layout and classification of its singularities allow us to model the asymptotic behavior of the perturbation series and prove the robustness of the algorithm.

A review on energy harvesting approaches for renewable energies from ambient vibrations and acoustic waves using piezoelectricity

Science.gov (United States)

Ahmed, Riaz; Mir, Fariha; Banerjee, Sourav

2017-08-01

The principal objective of this article is to categorically review and compare the state of the art vibration based energy harvesting approaches. To evaluate the contemporary methodologies with respect to their physics, average power output and operational frequencies, systematically divided and easy readable tables are presented followed by the description of the energy harvesting methods. Energy harvesting is the process of obtaining electrical energy from the surrounding vibratory mechanical systems through an energy conversion method using smart structures, like, piezoelectric, electrostatic materials. Recent advancements in low power electronic gadgets, micro electro mechanical systems, and wireless sensors have significantly increased local power demand. In order to circumvent the energy demand; to allow limitless power supply, and to avoid chemical waste from conventional batteries, low power local energy harvesters are proposed for harvesting energy from different ambient energy sources. Piezoelectric materials have received tremendous interest in energy harvesting technology due to its unique ability to capitalize the ambient vibrations to generate electric potential. Their crystalline configuration allows the material to convert mechanical strain energy into electrical potential, and vice versa. This article discusses the various approaches in vibration based energy scavenging where piezoelectric materials are employed as the energy conversion medium.

Carotenoid deactivation in an artificial light-harvesting complex via a vibrationally hot ground state

International Nuclear Information System (INIS)

Savolainen, Janne; Buckup, Tiago; Hauer, Juergen; Jafarpour, Aliakbar; Serrat, Carles; Motzkus, Marcus; Herek, Jennifer L.

2009-01-01

Ultrafast relaxation of a carotenoid in an artificial light-harvesting complex has been studied by transient absorption spectroscopy. The transient signal amplitudes at several wavelengths as well as the amplitudes of the underlying species associated spectra (SAS) are analysed for several excitation energies ranging over more than two orders of magnitude (10 nJ/pulse up to 3000 nJ/pulse). Our analysis shows that the contribution from the so-called S* signal on the long-wavelength side of the first allowed S 0 → S 2 transition has a markedly different excitation energy dependence and saturation behaviour than the electronic excited state S 1 . These observations are modelled and explained in terms of a two-photon excitation of a vibrationally hot ground state via an impulsive stimulated Raman scattering (ISRS). The experimental observations of the varying pulse energy dependencies of different excited state species are supported by an analysis based on a density-matrix formalism

Controlling flexible rotor vibrations using parametric excitation

Energy Technology Data Exchange (ETDEWEB)

Atepor, L, E-mail: katepor@yahoo.co [Department of Mechanical Engineering, University of Glasgow, G12 8QQ (United Kingdom)

2009-08-01

This paper presents both theoretical and experimental studies of an active vibration controller for vibration in a flexible rotor system. The paper shows that the vibration amplitude can be modified by introducing an axial parametric excitation. The perturbation method of multiple scales is used to solve the equations of motion. The steady-state responses, with and without the parametric excitation terms, is investigated. An experimental test machine uses a piezoelectric exciter mounted on the end of the shaft. The results show a reduction in the rotor response amplitude under principal parametric resonance, and some good correlation between theory and experiment.

Vibrational and Thermal Properties of Oxyanionic Crystals

Science.gov (United States)

Korabel'nikov, D. V.

2018-03-01

The vibrational and thermal properties of dolomite and alkali chlorates and perchlorates were studied in the gradient approximation of density functional theory using the method of a linear combination of atomic orbitals (LCAO). Long-wave vibration frequencies, IR and Raman spectra, and mode Gruneisen parameters were calculated. Equation-of-state parameters, thermodynamic potentials, entropy, heat capacity, and thermal expansion coefficient were also determined. The thermal expansion coefficient of dolomite was established to be much lower than for chlorates and perchlorates. The temperature dependence of the heat capacity at T > 200 K was shown to be generally governed by intramolecular vibrations.

Vibrationally specific photoionization cross sections of acrolein leading to the Χ~A' ionic state

International Nuclear Information System (INIS)

López-Domínguez, Jesús A.; Lucchese, Robert R.; Fulfer, K. D.; Hardy, David; Poliakoff, E. D.; Aguilar, A. A.

2014-01-01

The vibrational branching ratios in the photoionization of acrolein for ionization leading to the Χ ~ A ' ion state were studied. Computed logarithmic derivatives of the cross section and the corresponding experimental data derived from measured vibrational branching ratios for several normal modes (ν 9 , ν 10 , ν 11 , and ν 12 ) were found to be in relatively good agreement, particularly for the lower half of the 11–100 eV photon energy range considered. Two shape resonances have been found near photon energies of 15.5 and 23 eV in the photoionization cross section and have been demonstrated to originate from the partial cross section of the A ′ scattering symmetry. The wave functions computed at the resonance complex energies are delocalized over the whole molecule. By looking at the dependence of the cross section on the different normal mode displacements together with the wave function at the resonant energy, a qualitative explanation is given for the change of the cross sections with respect to changing geometry

Forced vibrations of rotating circular cylindrical shells

International Nuclear Information System (INIS)

Igawa, Hirotaka; Maruyama, Yoshiyuki; Endo, Mitsuru

1995-01-01

Forced vibrations of rotating circular cylindrical shells are investigated. Basic equations, including the effect of initial stress due to rotation, are formulated by the finite-element method. The characteristic relations for finite elements are derived from the energy principle by considering the finite strain. The equations of motion can be separated into quasi-static and dynamic ones, i.e., the equations in the steady rotating state and those in the vibration state. Radial concentrated impulses are considered as the external dynamic force. The transient responses of circular cylindrical shells are numerically calculated under various boundary conditions and rotating speeds. (author)

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

Science.gov (United States)

Tiwari, Vivek; Jonas, David M.

2018-02-01

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

Using narrowband excitation to confirm that the S∗ state in carotenoids is not a vibrationally-excited ground state species

Science.gov (United States)

Jailaubekov, Askat E.; Song, Sang-Hun; Vengris, Mikas; Cogdell, Richard J.; Larsen, Delmar S.

2010-02-01

The hypothesis that S∗ is a vibrationally-excited ground-state population is tested and discarded for two carotenoid samples: β-carotene in solution and rhodopin glucoside embedded in the light harvesting 2 protein from Rhodopseudomonas acidophila. By demonstrating that the transient absorption signals measured in both systems that are induced by broadband (1000 cm -1) and narrowband (50 cm -1) excitation pulses are near identical and hence bandwidth independent, the impulsive stimulated Raman scattering mechanism proposed as the primary source for S∗ generation is discarded. To support this conclusion, previously published multi-pulse pump-dump-probe signals [17] are revisited to discard secondary mechanisms for S∗ formation.

The Role of Lattice Vibrations in Adatom Diffusion at Metal Stepped Surfaces

International Nuclear Information System (INIS)

Durakanoglu, S.

2004-01-01

Diffusion of a single atom on metal surfaces remains a subject of continuing interest in the surface science community because of the important role it plays in several technologically important phenomena such as thin-film and eptaxial growth, catalysis and chemical reactions. Except for a few studies, most of theoretical works, ranging from molecular dynamic simulations to first principle electronic structure calculations, are devoted to determination of the characteristics of the diffusion processes and the energy barriers, neglecting the contribution of lattice vibrations in adatom diffusion. However, in a series of theoretical works on self-diffusion on the flat surfaces of Cu(100), Ag(100) and Ni(100), Ulrike et al.[1-3], showed that the vibrational contributions are important and should be included in any complete description of the temperature dependence of the diffusion coefficient. In this work, it is our aim to examine the role of lattice vibrations in adatom diffusion at stepped surfaces of Cu(100) and Ni(100) within the framework of transition state theory. Ehrlich-Shwoebel energy barriers for an adatom diffusing over a step-edge are calculated through the inclusion of vibrational internal energy. Local vibrational density of states, main ingredient to the vibrational thermodynamic functions, are calculated in the harmonic approximation, using real space Green's function method with the force constants derived from interaction potentials based on the embedded atom method. We emphasize the sensitivity of the local vibrational density of states to the local atomic environment. We, furthermore, discuss the contribution of thermodynamic functions calculated from local vibrational density of states to the prefactors in diffusion coefficient

Pickin’ up good vibrations

CERN Multimedia

Katarina Anthony

2015-01-01

In preparation for the civil engineering work on the HL-LHC, vibration measurements were carried out at the LHC’s Point 1 last month. These measurements will help evaluate how civil engineering work could impact the beam, and will provide crucial details about the site’s geological make-up before construction begins.   A seismic truck at Point 1 generated wave-like vibrations measured by EN/MME. From carrying out R&D to produce state-of-the-art magnets to developing innovative, robust materials capable of withstanding beam impact, the HL-LHC is a multi-faceted project involving many groups and teams across CERN’s departments. It was in this framework that the project management mandated CERN's Mechanical and Materials Engineering (EN/MME) group to measure the propagation of vibrations around Point 1. Their question: can civil engineering work for the HL-LHC – the bulk of which is scheduled for LS2 – begin while the LHC is running? Alth...

Distributed Fiber-Optic Sensors for Vibration Detection.

Science.gov (United States)

Liu, Xin; Jin, Baoquan; Bai, Qing; Wang, Yu; Wang, Dong; Wang, Yuncai

2016-07-26

Distributed fiber-optic vibration sensors receive extensive investigation and play a significant role in the sensor panorama. Optical parameters such as light intensity, phase, polarization state, or light frequency will change when external vibration is applied on the sensing fiber. In this paper, various technologies of distributed fiber-optic vibration sensing are reviewed, from interferometric sensing technology, such as Sagnac, Mach-Zehnder, and Michelson, to backscattering-based sensing technology, such as phase-sensitive optical time domain reflectometer, polarization-optical time domain reflectometer, optical frequency domain reflectometer, as well as some combinations of interferometric and backscattering-based techniques. Their operation principles are presented and recent research efforts are also included. Finally, the applications of distributed fiber-optic vibration sensors are summarized, which mainly include structural health monitoring and perimeter security, etc. Overall, distributed fiber-optic vibration sensors possess the advantages of large-scale monitoring, good concealment, excellent flexibility, and immunity to electromagnetic interference, and thus show considerable potential for a variety of practical applications.

Numerical generalized vibration density of states evaluation for inelastic neutron scattering in solid matter

CERN Document Server

Kazmianec, V; Aranghel, D

2002-01-01

A computational method for improved evaluation of the generalized vibration density of states (GVDS) is proposed. It is based on Fast Fourier Transform (FPT) technique and gives the possibility for more precise analyses of the neutron double differential scattering cross section. The method was applied to zirconium hydride investigation. The results were presented for ZrH sub 1 sub . sub 6 U sub 0 sub . sub 3 sub 2 sample at various temperatures on time-of-flight (TOF) Spectrometry at IBR-2 reactor of JINR-Dubna and were compared to GVDS values obtained by traditional single-phonon approximation method

Vibrational Mode-Specific Autodetachment and Coupling of CH2CN-

Science.gov (United States)

Lyle, Justin; Mabbs, Richard

2017-06-01

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

Optimal Vibration Control for Tracked Vehicle Suspension Systems

Directory of Open Access Journals (Sweden)

Yan-Jun Liang

2013-01-01

Full Text Available Technique of optimal vibration control with exponential decay rate and simulation for vehicle active suspension systems is developed. Mechanical model and dynamic system for a class of tracked vehicle suspension vibration control is established and the corresponding system of state space form is described. In order to prolong the working life of suspension system and improve ride comfort, based on the active suspension vibration control devices and using optimal control approach, an optimal vibration controller with exponential decay rate is designed. Numerical simulations are carried out, and the control effects of the ordinary optimal controller and the proposed controller are compared. Numerical simulation results illustrate the effectiveness of the proposed technique.

Determination of excitation temperature and vibrational temperature of the N{sub 2}(C {sup 3}{pi}{sub u}, {nu}') state in Ne-N{sub 2} RF discharges

Energy Technology Data Exchange (ETDEWEB)

Rehman, N U; Naveed, M A; Zakaullah, M [Department of Physics, Quaid-i-Azam University, 45320 Islamabad (Pakistan); Khan, F U [Department of Physics, Gomal University D.I. Khan (Pakistan)

2008-05-01

Optical emission spectroscopy is used to investigate the effect of neon mixing on the excitation and vibrational temperatures of the second positive system in nitrogen plasma generated by a 13.56 MHz RF generator. The excitation temperature is determined from Ne I line intensities, using Boltzmann's plot. The overpopulation of the levels of the N{sub 2} (C {sup 3}{pi}{sub u}, {nu}') states with neon mixing are monitored by measuring the emission intensities of the second positive system of nitrogen molecules. The vibrational temperature is calculated for the sequence {delta}{nu} = -2, with the assumption that it follows Boltzmann's distribution. But due to overpopulation of levels, e.g. 1, 4, a linearization process was employed for such distributions allowing us to calculate the vibrational temperature of the N{sub 2} (C {sup 3}{pi}{sub u}, {nu}') state. It is found that the excitation temperature as well as the vibrational temperature of the second positive system can be raised significantly by mixing neon with nitrogen plasma. It is also found that the vibrational temperature increases with power and pressure up to 0.5 mbar.

Vibration-based SHM System: Application to Wind Turbine Blades

DEFF Research Database (Denmark)

Tcherniak, D.; Mølgaard, Lasse Lohilahti

2015-01-01

propagate along the blade and are measured by an array of accelerometers. Unsupervised learning is applied to the data: the vibration patterns corresponding to the undamaged blade are used to create a statistical model of the reference state. During the detection stage, the current vibration pattern...

The Shock and Vibration Digest. Volume 16, Number 8

Science.gov (United States)

1984-08-01

Amplitude Free Vibrations of a Square Plate of Variable Thickne- S.K. Chaudhuri 0 Acharya B.N. Seal College, Cooch - Behar , W. Bengal, 841716 India, J...Dimen- discs having variable thickness and density along their sional Stressed State of the Blades of Gas- radius [194]. Calculation of critical rotating...34 Ph.D. Thesis, Turbine Blade Vibrations," Problemy Proch- Ohio State Univ., DA 8305407 (1982). nosti, 156 (6), pp 71-74 (June 1982) (In Rus- .4 sian

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

Science.gov (United States)

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

2013-05-01

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

Bound state potential energy surface construction: ab initio zero-point energies and vibrationally averaged rotational constants.

Science.gov (United States)

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.

H3+: Ab initio calculation of the vibration spectrum

International Nuclear Information System (INIS)

Carney, G.D.; Porter, R.N.

1976-01-01

The vibration spectrum of H 3 + is calculated from the representation of a previously reported [J. Chem Phys. 60, 4251 (1974)] ab initio potential-energy surface in a fifth degree Simons--Parr--Finlan (SPF) expansion. Morse- and harmonic-oscillator basis functions are used to describe the motions of the three oscillators and the Harris--Engerholm--Gwinn quadrature technique is used to obtain matrix elements of the Hamiltonian in the basis of vibrational configurations. Our variational method is thus analogous to configuration--interaction calculations for electronic states. The ground state is found to have a zero-point energy of 4345 cm -1 and a vibrationally averaged geometry of R 1 =R 2 =0.91396 A, theta=60.0012degree, where theta is the angle between the two equivalent bonds. The transition frequencies for the E and A 1 fundamentals are nu-bar/sub E/=2516 cm -1 and nu-bar/sub A/=3185 cm -1 and those for the corresponding first overtones of the bending mode are 2nu-bar/sub E/=5004 +- 4 cm -1 and 2nu-bar/sub A/=4799 cm -1 . The first overtone of the breathing mode is 6264 cm -1 . The first-excited A 1 vibration state is metastable with a dipole--radiation lifetime of 3 sec. Transition frequencies, Einstein coefficients, and lifetimes are reported for a total of 21 transitions. Analysis of results for Dunham number and normal-coordinate expansions in comparison with those for SPF expansion show the latter to be superior for ab initio vibrational calculations. A scheme for possible direct measurement of the fundamental A 1 and E vibrational bands is suggested

[Occupational standing vibration rate and vibrational diseases].

Science.gov (United States)

Karnaukh, N G; Vyshchipan, V F; Haumenko, B S

2003-12-01

Occupational standing vibration rate is proposed in evaluating a degree of impairment of an organism activity. It will allow more widely to introduce specification of quality and quantity in assessment of the development of vibrational disease. According out-patient and inpatient obtained data we have established criterial values of functional changes in accordance with accumulated occupational standing vibration rate. The nomogram was worked out for defining a risk of the development of vibrational disease in mine workers. This nomogram more objectively can help in diagnostics of the disease.

Planarizing cytosine: The S1 state structure, vibrations, and nonradiative dynamics of jet-cooled 5,6-trimethylenecytosine

Science.gov (United States)

Trachsel, Maria A.; Lobsiger, Simon; Schär, Tobias; Blancafort, Lluís; Leutwyler, Samuel

2017-06-01

We measure the S0 → S1 spectrum and time-resolved S1 state nonradiative dynamics of the "clamped" cytosine derivative 5,6-trimethylenecytosine (TMCyt) in a supersonic jet, using two-color resonant two-photon ionization (R2PI), UV/UV holeburning, and ns time-resolved pump/delayed ionization. The experiments are complemented with spin-component scaled second-order approximate coupled cluster (SCS-CC2), time-dependent density functional theory, and multi-state second-order perturbation-theory (MS-CASPT2) ab initio calculations. While the R2PI spectrum of cytosine breaks off ˜500 cm-1 above its 000 band, that of TMCyt extends up to +4400 cm-1 higher, with over a hundred resolved vibronic bands. Thus, clamping the cytosine C5-C6 bond allows us to explore the S1 state vibrations and S0 → S1 geometry changes in detail. The TMCyt S1 state out-of-plane vibrations ν1', ν3', and ν5' lie below 420 cm-1, and the in-plane ν11', ν12', and ν23' vibrational fundamentals appear at 450, 470, and 944 cm-1. S0 → S1 vibronic simulations based on SCS-CC2 calculations agree well with experiment if the calculated ν1', ν3', and ν5' frequencies are reduced by a factor of 2-3. MS-CASPT2 calculations predict that the ethylene-type S1 ⇝ S0 conical intersection (CI) increases from +366 cm-1 in cytosine to >6000 cm-1 in TMCyt, explaining the long lifetime and extended S0 → S1 spectrum. The lowest-energy S1 ⇝ S0 CI of TMCyt is the "amino out-of-plane" (OPX) intersection, calculated at +4190 cm-1. The experimental S1 ⇝ S0 internal conversion rate constant at the S1(v'=0 ) level is kI C=0.98 -2.2 ṡ1 08 s-1, which is ˜10 times smaller than in 1-methylcytosine and cytosine. The S1(v'=0 ) level relaxes into the T1(3π π *) state by intersystem crossing with kI S C=0.41 -1.6 ṡ1 08 s-1. The T1 state energy is measured to lie 24 580 ±560 cm-1 above the S0 state. The S1(v'=0 ) lifetime is τ =2.9 ns, resulting in an estimated fluorescence quantum yield of Φf l=24 %. Intense

Vibration Damping Via Acoustic Treatment Attached To Vehicle Body Panels

Science.gov (United States)

Gambino, Carlo

Currently, in the automotive industry, the control of noise and vibration is the subject of much research, oriented towards the creation of innovative solutions to improve the comfort of the vehicle and to reduce its cost and weight. This thesis fits into this particular framework, as it aims to investigate the possibility of integrating the functions of sound absorptioninsulation and vibration damping in a unique component. At present the bituminous viscoelastic treatments, which are bonded to the car body panels, take charge of the vibration damping, while the sound absorption and insulation is obtained by means of the poroacoustic treatments. The solution proposed here consists of employing porous materials to perform both these functions, thus allowing the partial or complete removal of the viscoelastic damping treatments from the car body. This should decrease the weight of the vehicle, reducing fuel consumption and emissions, and it might also benefit production costs.

Free Vibration Analysis of Fiber Metal Laminate Annular Plate by State-Space Based Differential Quadrature Method

Directory of Open Access Journals (Sweden)

G. H. Rahimi

2014-01-01

Full Text Available A three-dimensional elasticity theory by means of a state-space based differential quadrature method is presented for free vibration analysis of fiber metal laminate annular plate. The kinds of composite material and metal layers are considered to be S2-glass and aluminum, respectively. A semianalytical approach which uses state-space in the thickness and differential quadrature in the radial direction is implemented for evaluating the nondimensional natural frequencies of the annular plates. The influences of changes in boundary condition, plate thickness, and lay-up direction on the natural frequencies are studied. A comparison is also made with the numerical results reported by ABAQUS software which shows an excellent agreement.

Spectroscopy and reactions of vibrationally excited transient molecules

Energy Technology Data Exchange (ETDEWEB)

Dai, H.L. [Univ. of Pennsylvania, Philadelphia (United States)

1993-12-01

Spectroscopy, energy transfer and reactions of vibrationally excited transient molecules are studied through a combination of laser-based excitation techniques and efficient detection of emission from the energized molecules with frequency and time resolution. Specifically, a Time-resolved Fourier Transform Emission Spectroscopy technique has been developed for detecting dispersed laser-induced fluorescence in the IR, visible and UV regions. The structure and spectroscopy of the excited vibrational levels in the electronic ground state, as well as energy relaxation and reactions induced by specific vibronic excitations of a transient molecule can be characterized from time-resolved dispersed fluorescence in the visible and UV region. IR emissions from highly vibrational excited levels, on the other hand, reveal the pathways and rates of collision induced vibrational energy transfer.

CHECKING OF TECHNICAL BRIDGES’ STATE BY PASSIVE VIBRATIONAL DYNAMICS METHODS

Directory of Open Access Journals (Sweden)

V. P. Redchenko

2010-03-01

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

Recovering Intrinsic Fragmental Vibrations Using the Generalized Subsystem Vibrational Analysis.

Science.gov (United States)

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

2018-05-08

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

Vibration monitoring with artificial neural networks

International Nuclear Information System (INIS)

Alguindigue, I.

1991-01-01

Vibration monitoring of components in nuclear power plants has been used for a number of years. This technique involves the analysis of vibration data coming from vital components of the plant to detect features which reflect the operational state of machinery. The analysis leads to the identification of potential failures and their causes, and makes it possible to perform efficient preventive maintenance. Earlydetection is important because it can decrease the probability of catastrophic failures, reduce forced outgage, maximize utilization of available assets, increase the life of the plant, and reduce maintenance costs. This paper documents our work on the design of a vibration monitoring methodology based on neural network technology. This technology provides an attractive complement to traditional vibration analysis because of the potential of neural network to operate in real-time mode and to handle data which may be distorted or noisy. Our efforts have been concentrated on the analysis and classification of vibration signatures collected from operating machinery. Two neural networks algorithms were used in our project: the Recirculation algorithm for data compression and the Backpropagation algorithm to perform the actual classification of the patterns. Although this project is in the early stages of development it indicates that neural networks may provide a viable methodology for monitoring and diagnostics of vibrating components. Our results to date are very encouraging

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-06-07

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

Integrated predictive maintenance program vibration and lube oil analysis: Part I - history and the vibration program

International Nuclear Information System (INIS)

Maxwell, H.

1996-01-01

This paper is the first of two papers which describe the Predictive Maintenance Program for rotating machines at the Palo Verde Nuclear Generating Station. The organization has recently been restructured and significant benefits have been realized by the interaction, or open-quotes synergyclose quotes between the Vibration Program and the Lube Oil Analysis Program. This paper starts with the oldest part of the program - the Vibration Program and discusses the evolution of the program to its current state. The open-quotes Vibrationclose quotes view of the combined program is then presented

The influence of molecular rotation on vibration--translation energy transfer

International Nuclear Information System (INIS)

McKenzie, R.L.

1977-01-01

The role of molecular rotations in the exchange of vibrational and translational energy is investigated for collisions between anharmonic diatomic molecules and structureless atoms. A three-dimensional, semiclassical, impact parameter description is applied with emphasis directed towards the influence of rotational coupling on the net rate of vibrational energy transfer summed over all final rotational states. These results are then related to the predictions of an equivalent collinear collision model, and their comparison allows an evaluation of the collinear approximation. The mechanisms of vibrational energy transfer including rotational transitions are shown to be separable into three classes, with the molecules belonging to each class identified first and foremost by their ratio of fundamental vibrational and rotational frequencies, ω/sub e//B/sub e/, and second by the proximity of their initial state to a near-resonant vibration--rotation transition with a small change in angular momentum. While the dynamics of molecules with ω/sub e//B/sub e/ ratios that are comparable to the range of angular momentum transitions having strong coupling are found to require a complete three-dimensional description, the rates of vibrational energy transfer in molecules with large ω/sub e//B/sub e/ ratios appear to be well approximated by a collinear collision model

Vibration analysis in nuclear power plant using neural networks

International Nuclear Information System (INIS)

Loskiewicz-Buczak, A.; Alguindigue, I.E.

1993-01-01

Vibration monitoring of components in nuclear power plants has been used for a number of years. This technique involves the analysis of vibration data coming from vital components of the plant to detect features which reflect the operational state of machinery. The analysis leads to the identification of potential failures and their causes, and makes it possible to perform efficient preventive maintenance. This paper documents the authors' work on the design of a vibration monitoring methodology enhanced by neural network technology. This technology provides an attractive complement to traditional vibration analysis because of the potential of neural networks to handle data which may be distorted or noisy. This paper describes three neural networks-based methods for the automation of some of the activities related to motion and vibration monitoring in engineering systems

Vertical structures in vibrated wormlike micellar solutions

Science.gov (United States)

Epstein, Tamir; Deegan, Robert

2008-11-01

Vertically vibrated shear thickening particulate suspensions can support a free-standing interfaces oriented parallel to gravity. We find that shear thickening worm-like micellar solutions also support such vertical interfaces. Above a threshold in acceleration, the solution spontaneously accumulates into a labyrinthine pattern characterized by a well-defined vertical edge. The formation of vertical structures is of interest because they are unique to shear-thickening fluids, and they indicate the existence of an unknown stress bearing mechanism.

Mixed quantum-classical simulations of the vibrational relaxation of photolyzed carbon monoxide in a hemoprotein

Energy Technology Data Exchange (ETDEWEB)

Schubert, Alexander, E-mail: schubert@irsamc.ups-tlse.fr; Meier, Christoph [Laboratoire Collisions Agrégats et Réactivité, IRSAMC, UMR CNRS 5589, Université Paul Sabatier, 31062 Toulouse (France); Falvo, Cyril [Institut des Sciences Moléculaires d’Orsay (ISMO), CNRS, Univ. Paris-Sud, Université Paris-Saclay, 91405 Orsay (France)

2016-08-07

We present mixed quantum-classical simulations on relaxation and dephasing of vibrationally excited carbon monoxide within a protein environment. The methodology is based on a vibrational surface hopping approach treating the vibrational states of CO quantum mechanically, while all remaining degrees of freedom are described by means of classical molecular dynamics. The CO vibrational states form the “surfaces” for the classical trajectories of protein and solvent atoms. In return, environmentally induced non-adiabatic couplings between these states cause transitions describing the vibrational relaxation from first principles. The molecular dynamics simulation yields a detailed atomistic picture of the energy relaxation pathways, taking the molecular structure and dynamics of the protein and its solvent fully into account. Using the ultrafast photolysis of CO in the hemoprotein FixL as an example, we study the relaxation of vibrationally excited CO and evaluate the role of each of the FixL residues forming the heme pocket.

State-to-state modeling of non-equilibrium air nozzle flows

Science.gov (United States)

Nagnibeda, E.; Papina, K.; Kunova, O.

2018-05-01

One-dimensional non-equilibrium air flows in nozzles are studied on the basis of the state-to-state description of vibrational-chemical kinetics. Five-component mixture N2/O2/NO/N/O is considered taking into account Zeldovich exchange reactions of NO formation, dissociation, recombination and vibrational energy transitions. The equations for vibrational and chem-ical kinetics in a flow are coupled to the conservation equations of momentum and total energy and solved numerically for different conditions in a nozzle throat. The vibrational distributions of nitrogen and oxygen molecules, number densities of species as well as the gas temperature and flow velocity along a nozzle axis are analysed using the detailed state-to-state flow description and in the frame of the simplified one-temperature thermal equilibrium kinetic model. The comparison of the results showed the influence of non-equilibrium kinetics on macroscopic nozzle flow parameters. In the state-to-state approach, non-Boltzmann vibrational dis-tributions of N2 and O2 molecules with a plateau part at intermediate levels are found. The results are found with the use of the complete and simplified schemes of reactions and the impact of exchange reactions, dissociation and recombination on variation of vibrational level populations, mixture composition, gas velocity and temperature along a nozzle axis is shown.

How exciton-vibrational coherences control charge separation in the photosystem II reaction center.

Science.gov (United States)

Novoderezhkin, Vladimir I; Romero, Elisabet; van Grondelle, Rienk

2015-12-14

In photosynthesis absorbed sun light produces collective excitations (excitons) that form a coherent superposition of electronic and vibrational states of the individual pigments. Two-dimensional (2D) electronic spectroscopy allows a visualization of how these coherences are involved in the primary processes of energy and charge transfer. Based on quantitative modeling we identify the exciton-vibrational coherences observed in 2D photon echo of the photosystem II reaction center (PSII-RC). We find that the vibrations resonant with the exciton splittings can modify the delocalization of the exciton states and produce additional states, thus promoting directed energy transfer and allowing a switch between the two charge separation pathways. We conclude that the coincidence of the frequencies of the most intense vibrations with the splittings within the manifold of exciton and charge-transfer states in the PSII-RC is not occurring by chance, but reflects a fundamental principle of how energy conversion in photosynthesis was optimized.

On the absence of reverse running waves in general displacement of lattice vibration in popular books on solid state theory

Science.gov (United States)

Xia, Shangda; Lou, Liren

2018-05-01

In this article we point out that there is a deficiency in the presentation of the general solution of harmonic lattice vibration, the omission of half of the allowed running waves, in many popular textbooks published since 1940, e.g. O Madelung’s 1978 Introduction to Solid-State Theory and J Solyom’s 2007 Fundamentals of the Physics of Solids, vol 1. So we provide a revised presentation, which gives a complete general solution and demonstrates clearly that the conventional complex normal coordinate should be a superposition of two coordinates (multiplied by a factor \\sqrt{1/2}) of running waves travelling oppositely along q and -q, not only a coordinate of a unidirectional running wave as many books considered. It is noticed that the book, Quantum Theory of the Solid State: An Introduction, by L Kantorovich, published in 2004, and the review article, ‘Phonons in perfect crystals’ by W Cochran and R A Cowly, published in 1967, for a one-dimensional single-atom chain gave correct (but not normalized) formulae for the general solution of lattice vibration and the normal coordinate. However, both of them stated still that each normal coordinate describes an independent mode of vibration, which in our opinion needs to be further discussed. Moreover, in books such as Fundamentals of the Physics of Solids, vol 1, by J Solyom, and The Physics and Chemistry of Solids, by S R Elliott, published in 2006 and 2007, respectively, the reverse waves were still lost. Hence, we also discuss a few related topics. In quantization of the lattice vibration, the introduction of the conventional two (not one) independent phonon operators in a normal coordinate is closely related to the ‘independence’ of the two constituent waves mentioned above, and we propose a simple propositional relation between the phonon operator and the corresponding running wave coordinate. Moreover, only the coordinate of the superposition wave (not the running wave), as the normal coordinate can

Elastic and inelastic vibrational cross sections for positron scattering by carbon monoxide

Energy Technology Data Exchange (ETDEWEB)

Tenfen, W. [Departamento de Física, Universidade Federal da Fronteira Sul, 85770-000, Realeza, Paraná (Brazil); Arretche, F., E-mail: fartch@gmail.com [Departamento de Física, Universidade Federal de Santa Catarina, 88040-900, Florianópolis, Santa Catarina (Brazil); Michelin, S.E.; Mazon, K.T. [Departamento de Física, Universidade Federal de Santa Catarina, 88040-900, Florianópolis, Santa Catarina (Brazil)

2015-11-01

The vibrational cross sections of the CO molecule induced by positron impact is the focus of this work. The positron–molecule interaction is represented by the static potential plus a model potential designed to take into account the positron–target correlations. To calculate the vibrational cross sections, we applied the multichannel version of the continued fractions method in the close-coupling scheme. We present vibrational excitation cross sections and elastic ones, for the ground and excited vibrational states. The results are interpreted in terms of the vibrational coupling-scheme used in the scattering model.

Large electron transfer rate effects from the Duschinsky mixing of vibrations

DEFF Research Database (Denmark)

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

2001-01-01

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

Conformational and vibrational reassessment of solid paracetamol

Science.gov (United States)

Amado, Ana M.; Azevedo, Celeste; Ribeiro-Claro, Paulo J. A.

2017-08-01

This work provides an answer to the urge for a more detailed and accurate knowledge of the vibrational spectrum of the widely used analgesic/antipyretic drug commonly known as paracetamol. A comprehensive spectroscopic analysis - including infrared, Raman, and inelastic neutron scattering (INS) - is combined with a computational approach which takes account for the effects of intermolecular interactions in the solid state. This allows a full reassessment of the vibrational assignments for Paracetamol, thus preventing the propagation of incorrect data analysis and misassignments already found in the literature. In particular, the vibrational modes involving the hydrogen-bonded Nsbnd H and Osbnd H groups are correctly reallocated to bands shifted by up to 300 cm- 1 relatively to previous assignments.

Spectroscopy of vibrationally hot molecules: Hydrogen cyanide and acetylene

International Nuclear Information System (INIS)

Jonas, D.M.

1992-01-01

An efficient formula for calculating nuclear spin statistical weights is presented. New experimental methods to distinguish electric and magnetic multipole transitions are proposed and used to prove that the formaldehyde A - X 0-0 transition is a magnetic dipole transition. HIgh resolution vacuum ultraviolet studies of the A → X fluorescence excitation spectrum of hydrogen cyanide (HCN) have: (i) determined that only the (0,1,0) vibrational level of the HCN A-state has a sufficiently long fluorescence lifetime to be suitable for Stimulated Emission Pumping (SEP) studies; and (ii) measured the electric dipole moment of the A-state. Several transitions in the hydrogen cyanide A → X SEP spectrum are shown to be due to the axis-switching mechanism. From a Franck-Condon plot of the intensities and a comparison between sums of predicted rotational constants and sums of observed rotational constants, all of the remaining transitions in the SEP spectrum can be securly assigned. Two weak resonances; a 2:3 CH:CN stretch Fermi resonance and a 6:2 bend:CN stretch resonance appear in the SEP spectrum. Excitation of the CH stretching vibration is predicted and shown to be entirely absent, apart from resonances, in the HCN SEP spectrum. A → X SEP spectra of acetylene (HCCH) near E VIB = 7,000 cm -1 display a wealth of strong and fully assignable anharmonic resonances and forbidden rotational transitions. It is proved that Darling-Dennison resonance between the cis and trans bending vibrations is the crucial first step in a series of anharmonic resonances which can transfer nearly all the vibrational energy out of the initial CC stretch/trans-bend excitation at high vibrational energy. Secondary steps in the vibrational energy flow are vibrational-l-resonance and the '2345' Fermi resonance. For short times, the vibrational energy redistribution obeys very restrictive rules

Parameter optimization method for longitudinal vibration absorber of ship shaft system

Directory of Open Access Journals (Sweden)

LIU Jinlin

2017-05-01

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

The High Level Vibration Test Program

International Nuclear Information System (INIS)

Hofmayer, C.H.; Curreri, J.R.; Park, Y.J.; Kato, W.Y.; Kawakami, S.

1989-01-01

As part of cooperative agreements between the United States and Japan, tests have been performed on the seismic vibration table at the Tadotsu Engineering Laboratory of Nuclear Power Engineering Test Center (NUPEC) in Japan. The objective of the test program was to use the NUPEC vibration table to drive large diameter nuclear power piping to substantial plastic strain with an earthquake excitation and to compare the results with state-of-the-art analysis of the problem. The test model was designed by modifying the 1/2.5 scale model of the PWR primary coolant loop. Elastic and inelastic seismic response behavior of the test model was measured in a number of test runs with an increasing excitation input level up to the limit of the vibration table. In the maximum input condition, large dynamic plastic strains were obtained in the piping. Crack initiation was detected following the second maximum excitation run. The test model was subjected to a maximum acceleration well beyond what nuclear power plants are designed to withstand. This paper describes the overall plan, input motion development, test procedure, test results and comparisons with pre-test analysis. 4 refs., 16 figs., 2 tabs

Theoretical rotation-vibration spectrum of thioformaldehyde

International Nuclear Information System (INIS)

Yachmenev, Andrey; Polyak, Iakov; Thiel, Walter

2013-01-01

We present a variational calculation of the first comprehensive T = 300 K rovibrational line list for thioformaldehyde, H 2 CS. It covers 41 809 rovibrational levels for states up to J max = 30 with vibrational band origins up to 5000 cm −1 and provides the energies and line intensities for 547 926 transitions from the ground vibrational state to these levels. It is based on our previously reported accurate ab initio potential energy surface and a newly calculated ab initio dipole moment surface. Minor empirical adjustments are made to the ab initio equilibrium geometry to reduce systematic errors in the predicted intra-band rotational energy levels. The rovibrational energy levels and transition intensities are computed variationally by using the methods implemented in the computer program TROVE. Transition wavelengths and intensities are found to be in excellent agreement with the available experimental data. The present calculations correctly reproduce the observed resonance effects, such as intensity borrowing, thus reflecting the high accuracy of the underlying ab initio surfaces. We report a detailed analysis of several vibrational bands, especially those complicated by strong Coriolis coupling, to facilitate future laboratory assignments

The High Level Vibration Test program

International Nuclear Information System (INIS)

Hofmayer, C.H.; Curreri, J.R.; Park, Y.J.; Kato, W.Y.; Kawakami, S.

1990-01-01

As part of cooperative agreements between the United States and Japan, tests have been performed on the seismic vibration table at the Tadotsu Engineering Laboratory of Nuclear Power Engineering Test Center (NUPEC) in Japan. The objective of the test program was to use the NUPEC vibration table to drive large diameter nuclear power piping to substantial plastic strain with an earthquake excitation and to compare the results with state-of-the-art analysis of the problem. The test model was designed by modifying the 1/2.5 scale model of the pressurized water reactor primary coolant loop. Elastic and inelastic seismic response behavior of the test model was measured in a number of test runs with an increasing excitation input level up to the limit of the vibration table. In the maximum input condition, large dynamic plastic strains were obtained in the piping. Crack initiation was detected following the second maximum excitation run. The test model was subjected to a maximum acceleration well beyond what nuclear power plants are designed to withstand. This paper describes the overall plan, input motion development, test procedure, test results and comparisons with pre-test analysis

Theoretical rotation-vibration spectrum of thioformaldehyde

Science.gov (United States)

Yachmenev, Andrey; Polyak, Iakov; Thiel, Walter

2013-11-01

We present a variational calculation of the first comprehensive T = 300 K rovibrational line list for thioformaldehyde, H2CS. It covers 41 809 rovibrational levels for states up to Jmax = 30 with vibrational band origins up to 5000 cm-1 and provides the energies and line intensities for 547 926 transitions from the ground vibrational state to these levels. It is based on our previously reported accurate ab initio potential energy surface and a newly calculated ab initio dipole moment surface. Minor empirical adjustments are made to the ab initio equilibrium geometry to reduce systematic errors in the predicted intra-band rotational energy levels. The rovibrational energy levels and transition intensities are computed variationally by using the methods implemented in the computer program TROVE. Transition wavelengths and intensities are found to be in excellent agreement with the available experimental data. The present calculations correctly reproduce the observed resonance effects, such as intensity borrowing, thus reflecting the high accuracy of the underlying ab initio surfaces. We report a detailed analysis of several vibrational bands, especially those complicated by strong Coriolis coupling, to facilitate future laboratory assignments.

Theoretical rotation-vibration spectrum of thioformaldehyde

Energy Technology Data Exchange (ETDEWEB)

Yachmenev, Andrey [Department of Physics and Astronomy, University College London, London, WC1E 6BT (United Kingdom); Polyak, Iakov; Thiel, Walter [Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D–45470 Mülheim an der Ruhr (Germany)

2013-11-28

We present a variational calculation of the first comprehensive T = 300 K rovibrational line list for thioformaldehyde, H{sub 2}CS. It covers 41 809 rovibrational levels for states up to J{sub max} = 30 with vibrational band origins up to 5000 cm{sup −1} and provides the energies and line intensities for 547 926 transitions from the ground vibrational state to these levels. It is based on our previously reported accurate ab initio potential energy surface and a newly calculated ab initio dipole moment surface. Minor empirical adjustments are made to the ab initio equilibrium geometry to reduce systematic errors in the predicted intra-band rotational energy levels. The rovibrational energy levels and transition intensities are computed variationally by using the methods implemented in the computer program TROVE. Transition wavelengths and intensities are found to be in excellent agreement with the available experimental data. The present calculations correctly reproduce the observed resonance effects, such as intensity borrowing, thus reflecting the high accuracy of the underlying ab initio surfaces. We report a detailed analysis of several vibrational bands, especially those complicated by strong Coriolis coupling, to facilitate future laboratory assignments.

Effect of shelf aging on vibration transmissibility of anti-vibration gloves

Science.gov (United States)

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

The effect of vibrationally excited nitrogen on the low-latitude ionosphere

Directory of Open Access Journals (Sweden)

B. Jenkins

1997-11-01

Full Text Available The first five vibrationally excited states of molecular nitrogen have been included in the Sheffield University plasmasphere ionosphere model. Vibrationally excited molecular nitrogen reacts much more strongly with atomic oxygen ions than ground-state nitrogen; this means that more O+ ions are converted to NO+ ions, which in turn combine with the electrons to give reduced electron densities. Model calculations have been carried out to investigate the effect of including vibrationally excited molecular nitrogen on the low-latitude ionosphere. In contrast to mid-latitudes, a reduction in electron density is seen in all seasons during solar maximum, the greatest effect being at the location of the equatorial trough.

Active Control of Parametric Vibrations in Coupled Rotor-Blade Systems

DEFF Research Database (Denmark)

Christensen, Rene Hardam; Santos, Ilmar

2003-01-01

of modes. The designed control scheme is applied to a coupled rotor-blade system and dynamic responses are numerically evaluated. Such responses show that the vibrations are efficiently reduced. Frequency response diagrams demonstrate that both basis and parametric vibration modes are significantly...... the model becomes periodic-variant. In order to reduce basis as well as parametric vibrations by means of active control in such systems a time-variant control strategy has to be adopted. This paper presents a methodology for designing an active controller to reduce vibrations in a coupled rotor......-blade system. The main aim is to control blade as well as hub vibrations in such a system by means of active control with focus on reducing the parametric vibration. A periodic state feedback controller is designed by transforming the system into a linear time-invariant form. Using this a controller...

Vibrational optical activity principles and applications

CERN Document Server

Nafie, Laurence A

2011-01-01

This unique book stands as the only comprehensive introduction to vibrational optical activity (VOA) and is the first single book that serves as a complete reference for this relatively new, but increasingly important area of molecular spectroscopy. Key features:A single-source reference on this topic that introduces, describes the background and foundation of this area of spectroscopy.Serves as a guide on how to use it to carry out applications with relevant problem solving.Depth and breadth of the subject is presented in a logical, complete and progressive fashion. A

Search for the two-phonon octupole vibrational state in {sup 208}Pb

Energy Technology Data Exchange (ETDEWEB)

Blumenthal, D.J.; Henning, W.; Janssens, R.V.F. [and others

1995-08-01

We performed an experiment to search for the two-phonon octupole vibrational state in {sup 208}Pb. Thick targets of {sup 208}Pb, {sup 209}Bi, {sup 58,64}Ni, and {sup 160}Gd were bombarded with 1305 MeV beams of were bombard {sup 208}Pb supplied by ATLAS. Gamma rays were detected using the Argonne-Notre Dame BGO gamma-ray facility, consisting of 12 Compton-suppressed germanium detectors surrounding an array of 50 BGO scintillators. We identified some 30 known gamma rays from {sup 208}Pb in the spectra gated by the 5{sup -} {yields} 3{sup -} and 3{sup -} {yields} 0{sup +} transitions in {sup 208}Pb. In addition, after unfolding these spectra for Compton response, we observed broad coincident structures in the energy region expected for the 2-phonon states. Furthermore, we confirmed the placement of a 2485 keV line observed previously in {sup 207}Pb and find no evidence consistent with the placement of this line in {sup 208}Pb. We are currently in the process of investigating the origin of the broadened lines observed in the spectra, extracting the excitation probability of states in {sup 208}Pb, and determining the relative probability of mutual excitation and neutron transfer in this reaction. An additional experiment is also being performed to collect much higher statistics germanium-germanium coincidence data for the thick {sup 208}Pb target.

Specialists meeting on LMFBR flow induced vibrations. Summary report

International Nuclear Information System (INIS)

1977-12-01

A Specialists' Meeting on LMFBR Flow-Induced Vibrations was held at ANL in the United States which was sponsored by the International Atomic Energy Agency (IAEA) on the recommendations of the International Working Group on Fast Reactors (IWGFR). It was attended by participants from France, the Federal Republic of Germany, Italy, Japan, Netherlands, the United Kingdom, the Union of Soviet Socialist Republics, the United States and the IAEA. The purpose of the meeting was to provide, for the first time, a common forum for the exchange of information on flow-induced vibration programs of the member countries. As this was a first meeting, information was sought in the broad areas of: 1. Design Criteria and Problem Areas in LMFBR Design; 2. Current Design Procedures; and 3. Ongoing Research. A session was devoted to each of the above topics wherein papers were presented and discussed followed by open discussions on the session topic. The objective of the open discussions was to identify, from a review of specific reactor designs, (a) flow induced vibration problem areas (expected and observed) and their potential for occurrence; (b) failure modes and associated design criteria; (c) specific components that are susceptible to flow induced vibration; and (d) probable excitation mechanisms. It was aimed to assess the current state-of-the-art in designing to avoid flow induced vibration with consideration of licensing requirements; to evaluate existing methods of analysis, testing, and surveillance, along with their limitations and to identify areas requiring research and review ongoing research programmes relative to these research needs

Specialists meeting on LMFBR flow induced vibrations. Summary report

Energy Technology Data Exchange (ETDEWEB)

NONE

1977-12-01

A Specialists' Meeting on LMFBR Flow-Induced Vibrations was held at ANL in the United States which was sponsored by the International Atomic Energy Agency (IAEA) on the recommendations of the International Working Group on Fast Reactors (IWGFR). It was attended by participants from France, the Federal Republic of Germany, Italy, Japan, Netherlands, the United Kingdom, the Union of Soviet Socialist Republics, the United States and the IAEA. The purpose of the meeting was to provide, for the first time, a common forum for the exchange of information on flow-induced vibration programs of the member countries. As this was a first meeting, information was sought in the broad areas of: 1. Design Criteria and Problem Areas in LMFBR Design; 2. Current Design Procedures; and 3. Ongoing Research. A session was devoted to each of the above topics wherein papers were presented and discussed followed by open discussions on the session topic. The objective of the open discussions was to identify, from a review of specific reactor designs, (a) flow induced vibration problem areas (expected and observed) and their potential for occurrence; (b) failure modes and associated design criteria; (c) specific components that are susceptible to flow induced vibration; and (d) probable excitation mechanisms. It was aimed to assess the current state-of-the-art in designing to avoid flow induced vibration with consideration of licensing requirements; to evaluate existing methods of analysis, testing, and surveillance, along with their limitations and to identify areas requiring research and review ongoing research programmes relative to these research needs.

Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer

Science.gov (United States)

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

2017-11-01

The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between

STATE-OWNED RURAL BANK PERFORMANCE: DO GOVERNMENT OWNERSHIP AND CORPORATE GOVERNANCE UNIQUENESS MATTER?

Directory of Open Access Journals (Sweden)

Azilsyah Noerdin

2016-12-01

Full Text Available It has been widely recognized that ownership structure has an impact on firm performance. This paper examines whether rural banks owned by government have poorer performance than those owned by private parties with the emphasis on corporate governance uniqueness of state-owned rural banks. 42 rural banks in Indonesia has been selected as the sample. MANOVA test is used to investigate the difference performance between the two types of the rural banks. The results show that state-owned rural banks perform poorer than their privately-owned counterparts. It is indicated by lower ROA ratio and higher OEOI and NPL ratios. The important implication of this finding suggets that government ownership impede boards of rural banks to implement good corporate governance practices in order to improve their banks performance.

Conservatism inherent to simplified qualification techniques used for piping steady state vibration

International Nuclear Information System (INIS)

Olson, D.E.; Smetters, J.L.

1983-01-01

This paper examines some of the qualification techniques currently used by the power industry, including the techniques specified in a recently issued standard related to this subject (ANSI/ASME OM-3, Requirements for Preoperational and Initial Startup Vibration Testing of Nuclear Power Plant Piping Systems). Several methods are used to demonstrate the amount of conservatism inherent in these techniques. Allowable limits calculated by the use of simplified techniques are compared to limits calculated by more detailed computer analysis. A portion of a reactor feedwater piping system along with the results of a piping vibration monitoring program recently completed in a nuclear power plant are used as case studies. The limits determined by the use of simplified criteria are also compared to limits determined empirically through the use of strain gauges. The simple beam analogies that use vibrational displacement as acceptance criteria were found to be conservative for all the examples studied. However, when velocity was used as a criterion, it was not always conservative. Simplified techniques that result in displacement allowables appear to be the most viable method of qualifying piping vibrations. Quantities referred to in the paper are cited in British units throughout. These may be converted to the International System of Units (SI) as follows: 1 foot=0.3048 meter; 1 inch=0.0254 meter=1,000 mils; 1 psi=6,894 pascals; and 1 inch/second=0.0254 meter/second. (orig.)

High spin polarization and the origin of unique ferromagnetic ground state in CuFeSb

International Nuclear Information System (INIS)

Sirohi, Anshu; Saha, Preetha; Gayen, Sirshendu; Gaurav, Abhishek; Jyotsna, Shubhra; Sheet, Goutam; Singh, Chandan K.; Kabir, Mukul; Thakur, Gohil S.; Haque, Zeba; Gupta, L. C.; Ganguli, Ashok K.

2016-01-01

CuFeSb is isostructural to the ferro-pnictide and chalcogenide superconductors and it is one of the few materials in the family that are known to stabilize in a ferromagnetic ground state. Majority of the members of this family are either superconductors or antiferromagnets. Therefore, CuFeSb may be used as an ideal source of spin polarized current in spin-transport devices involving pnictide and the chalcogenide superconductors. However, for that the Fermi surface of CuFeSb needs to be sufficiently spin polarized. In this paper we report direct measurement of transport spin polarization in CuFeSb by spin-resolved Andreev reflection spectroscopy. From a number of measurements using multiple superconducting tips we found that the intrinsic transport spin polarization in CuFeSb is high (∼47%). In order to understand the unique ground state of CuFeSb and the origin of large spin polarization at the Fermi level, we have evaluated the spin-polarized band structure of CuFeSb through first principles calculations. Apart from supporting the observed 47% transport spin polarization, such calculations also indicate that the Sb-Fe-Sb angles and the height of Sb from the Fe plane are strikingly different for CuFeSb than the equivalent parameters in other members of the same family thereby explaining the origin of the unique ground state of CuFeSb.

High spin polarization and the origin of unique ferromagnetic ground state in CuFeSb

Energy Technology Data Exchange (ETDEWEB)

Sirohi, Anshu; Saha, Preetha; Gayen, Sirshendu; Gaurav, Abhishek; Jyotsna, Shubhra; Sheet, Goutam, E-mail: goutam@iisermohali.ac.in [Department of Physical Sciences, Indian Institute of Science Education and Research Mohali, Sector 81, S. A. S. Nagar, Manauli PO 140306 (India); Singh, Chandan K.; Kabir, Mukul [Department of Physics, Indian Institute of Science Education and Research, Pune 411008 (India); Thakur, Gohil S.; Haque, Zeba; Gupta, L. C. [Department of Chemistry, Indian Institute of Technology, New Delhi 110016 (India); Ganguli, Ashok K. [Department of Chemistry, Indian Institute of Technology, New Delhi 110016 (India); Institute of Nano Science & Technology, Mohali 160064 (India)

2016-06-13

CuFeSb is isostructural to the ferro-pnictide and chalcogenide superconductors and it is one of the few materials in the family that are known to stabilize in a ferromagnetic ground state. Majority of the members of this family are either superconductors or antiferromagnets. Therefore, CuFeSb may be used as an ideal source of spin polarized current in spin-transport devices involving pnictide and the chalcogenide superconductors. However, for that the Fermi surface of CuFeSb needs to be sufficiently spin polarized. In this paper we report direct measurement of transport spin polarization in CuFeSb by spin-resolved Andreev reflection spectroscopy. From a number of measurements using multiple superconducting tips we found that the intrinsic transport spin polarization in CuFeSb is high (∼47%). In order to understand the unique ground state of CuFeSb and the origin of large spin polarization at the Fermi level, we have evaluated the spin-polarized band structure of CuFeSb through first principles calculations. Apart from supporting the observed 47% transport spin polarization, such calculations also indicate that the Sb-Fe-Sb angles and the height of Sb from the Fe plane are strikingly different for CuFeSb than the equivalent parameters in other members of the same family thereby explaining the origin of the unique ground state of CuFeSb.

Dynamic Wetting Behavior of Vibrated Droplets on a Micropillared Surface

Directory of Open Access Journals (Sweden)

Zhi-hai Jia

2016-01-01

Full Text Available The dynamical wetting behavior has been observed under vertical vibration of a water droplet placed on a micropillared surface. The wetting transition takes place under the different processes. In compression process, the droplet is transited from Cassie state to Wenzel state. The droplet undergoes a Wenzel-Cassie wetting transition in restoring process and the droplet bounces off from the surface in bouncing process. Meanwhile, the wetting and dewetting models during vibration are proposed. The wetting transition is confirmed by the model calculation. This study has potential to be used to control the wetting state.

Hydrophobic radical influence on structure and vibration spectra of zwitter-ionic forms of glycine and alanine in condensed state

International Nuclear Information System (INIS)

Ten, G.N.; Kadrov, D.M.; Baranov, V.I.

2014-01-01

Structure and vibrational spectra of the zwitter-ionic forms of glycine and alanine in water solution and solid state have been calculated in the B3LYP/6-311++G(d,p) approximation. The environment influence has been taken into account by two methods: the self-consistent reaction field (SCRF) method and one of modeling the glycine and alanine complexes with molecules of water. The structure, energy and spectral properties have been determined which allow establishing an influence of the hydrophobic radical on the glycine and alanine ability to form the hydrogen bonds. It is shown by comparison with experiment that for the calculation of vibrational (IR and Raman) spectra of the zwitter-ionic forms of glycine and alanine in the condensed states they must be surrounded with three molecules of water, one of which is located between the N + H 3 and COO - ionic groups. The value of energy necessary to form the Ala complexes with water compared to Gly ones is 56.47 and 12.55 kcal/mol higher in the case of the complex formation with 1and 3 molecules of water, respectively, located between bipolar groups. (authors)

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

International Nuclear Information System (INIS)

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

1992-01-01

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

13C and 18O isotope enrichment by vibrational energy exchange pumping of CO

International Nuclear Information System (INIS)

Bergman, R.C.; Homicz, G.F.; Rich, J.W.; Wolk, G.L.

1983-01-01

Measurements of preferential vibration-to-vibration (V--V) pumping of high vibrational states of 13 C 16 O and 12 C 18 O in optically excited CO gas are reported. It is found that the v = 22, 25, 27, 30, and 32 states of 13 C 16 O and the v = 8, 10, and 12 states of 12 C 18 O are substantially overpopulated compared to the same states in 12 C 16 O in strongly V--V pumped CO. Such mixtures are observed to react, forming products enriched in 13 C. The results are in reasonable agreement with an analytical kinetic model of V--V pumping in binary mixtures of diatomic gases

Vibration and recoil control of pneumatic hammers. [by air flow pressure regulation

Science.gov (United States)

Constantinescu, I. N.; Darabont, A. V.

1974-01-01

Vibration sources are described for pneumatic hammers used in the mining industry (pick hammers), in boiler shops (riveting hammers), etc., bringing to light the fact that the principal vibration source is the variation in air pressure inside the cylinder. The present state of the art of vibration control of pneumatic hammers as it is practiced abroad, and the solutions adopted for this purpose, are discussed. A new type of pneumatic hammer with a low noise and vibration level is presented.

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

DEFF Research Database (Denmark)

Jepsen, Peter Uhd; Clark, Stewart J.

2007-01-01

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

Monothiodibenzoylmethane: Structural and vibrational assignments

DEFF Research Database (Denmark)

Hansen, Bjarke Knud Vilster; Gorski, Alexander; Posokhov, Yevgen

2007-01-01

vibrational spectra were compared with theoretical transitions obtained with B3LYP/cc-pVTZ density functional theory (DFT). The results leave no doubt that the stable ground state configuration of TDBM corresponds to the intramolecularly hydrogen bonded enol form (e-CCC), and that the photoproduct corresponds...

Vibrational multiconfiguration self-consistent field theory: implementation and test calculations.

Science.gov (United States)

Heislbetz, Sandra; Rauhut, Guntram

2010-03-28

A state-specific vibrational multiconfiguration self-consistent field (VMCSCF) approach based on a multimode expansion of the potential energy surface is presented for the accurate calculation of anharmonic vibrational spectra. As a special case of this general approach vibrational complete active space self-consistent field calculations will be discussed. The latter method shows better convergence than the general VMCSCF approach and must be considered the preferred choice within the multiconfigurational framework. Benchmark calculations are provided for a small set of test molecules.

On the mechanism of high-temperature superconductivity in hydrogen sulfide at 200 GPa: Transition into superconducting anti-adiabatic state in coupling to H-vibrations

Directory of Open Access Journals (Sweden)

Pavol Baňacký

Full Text Available It has been shown that the adiabatic electronic structure of the superconducting phase of sulfur hydride at 200 GPa is unstable toward the vibration motion of H-atoms. A theoretical study indicates that in coupling to H-vibrations, the system undergoes a transition from adiabatic into a stabilized anti-adiabatic multi-gap superconducting state at a temperature that can reach 203 K. Keywords: Superconductivity of sulfur hydride, Electron–phonon coupling in superconductors, Anti-adiabatic theory of superconductivity

Computational Fluid Dynamic Analysis of a Vibrating Turbine Blade

Directory of Open Access Journals (Sweden)

Osama N. Alshroof

2012-01-01

Full Text Available This study presents the numerical fluid-structure interaction (FSI modelling of a vibrating turbine blade using the commercial software ANSYS-12.1. The study has two major aims: (i discussion of the current state of the art of modelling FSI in gas turbine engines and (ii development of a “tuned” one-way FSI model of a vibrating turbine blade to investigate the correlation between the pressure at the turbine casing surface and the vibrating blade motion. Firstly, the feasibility of the complete FSI coupled two-way, three-dimensional modelling of a turbine blade undergoing vibration using current commercial software is discussed. Various modelling simplifications, which reduce the full coupling between the fluid and structural domains, are then presented. The one-way FSI model of the vibrating turbine blade is introduced, which has the computational efficiency of a moving boundary CFD model. This one-way FSI model includes the corrected motion of the vibrating turbine blade under given engine flow conditions. This one-way FSI model is used to interrogate the pressure around a vibrating gas turbine blade. The results obtained show that the pressure distribution at the casing surface does not differ significantly, in its general form, from the pressure at the vibrating rotor blade tip.

Vibration mixer

Energy Technology Data Exchange (ETDEWEB)

Alekhin, S.A.; Chernov, V.S.; Denisenko, V.V.; Gorodnyanskiy, I.F.; Prokopov, L.I.; Tikhonov, Yu.P.

1983-01-01

The vibration mixer is proposed which contains a housing, vibration drive with rod installed in the upper part of the mixing mechanism made in the form of a hollow shaft with blades. In order to improve intensity of mixing and dispersion of the mud, the shaft with the blades is arranged on the rod of the vibrator and is equipped with a cam coupling whose drive disc is attached to the vibration rod. The rod is made helical, while the drive disc of the cam coupling is attached to the helical surface of the rod. In addition, the vibration mixer is equipped with perforated discs installed on the ends of the rods.

Capturing inhomogeneous broadening of the -CN stretch vibration in a Langmuir monolayer with high-resolution spectra and ultrafast vibrational dynamics in sum-frequency generation vibrational spectroscopy (SFG-VS)

Science.gov (United States)

Velarde, Luis; Wang, Hong-fei

2013-08-01

While in principle the frequency-domain and time-domain spectroscopic measurements should generate identical information for a given molecular system, the inhomogeneous character of surface vibrations in sum-frequency generation vibrational spectroscopy (SFG-VS) studies has only been studied with time-domain SFG-VS by mapping the decay of the vibrational polarization using ultrafast lasers, this due to the lack of SFG vibrational spectra with high enough spectral resolution and accurate enough lineshape. Here, with the recently developed high-resolution broadband SFG-VS (HR-BB-SFG-VS) technique, we show that the inhomogeneous lineshape can be obtained in the frequency-domain for the anchoring CN stretch of the 4-n-octyl-4'-cyanobiphenyl (8CB) Langmuir monolayer at the air-water interface, and that an excellent agreement with the time-domain SFG free-induction-decay can be established. We found that the 8CB CN stretch spectrum consists of a single peak centered at 2234.00 ± 0.01 cm-1 with a total linewidth of 10.9 ± 0.3 cm-1 at half maximum. The Lorentzian contribution accounts only for 4.7 ± 0.4 cm-1 to this width and the Gaussian (inhomogeneous) broadening for as much as 8.1 ± 0.2 cm-1. Polarization analysis of the -CN spectra showed that the -CN group is tilted 57° ± 2° from the surface normal. The large heterogeneity in the -CN spectrum is tentatively attributed to the -CN group interactions with the interfacial water molecules penetrated/accommodated into the 8CB monolayer, a unique phenomenon for the nCB Langmuir monolayers reported previously.

Dynamical response of vibrating ferromagnets

CERN Document Server

Gaganidze, E; Ziese, M

2000-01-01

The resonance frequency of vibrating ferromagnetic reeds in a homogeneous magnetic field can be substantially modified by intrinsic and extrinsic field-related contributions. Searching for the physical reasons of the field-induced resonance frequency change and to study the influence of the spin glass state on it, we have measured the low-temperature magnetoelastic behavior and the dynamical response of vibrating amorphous and polycrystalline ferromagnetic ribbons. We show that the magnetoelastic properties depend strongly on the direction of the applied magnetic field. The influence of the re-entrant spin glass transition on these properties is discussed. We present clear experimental evidence that for applied fields perpendicular to the main area of the samples the behavior of ferromagnetic reeds is rather independent of the material composition and magnetic state, exhibiting a large decrease of the resonance frequency. This effect can be very well explained with a model based on the dynamical response of t...

Optical fiber grating vibration sensor for vibration monitoring of hydraulic pump

Science.gov (United States)

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.

Vibrational entropies in metallic alloys

Science.gov (United States)

Ozolins, Vidvuds; Asta, Mark; Wolverton, Christopher

2000-03-01

Recently, it has been recognized that vibrational entropy can have significant effects on the phase stability of metallic alloys. Using density functional linear response calculations and molecular dynamics simulations we study three representative cases: (i) phase diagram of Al-rich Al-Sc alloys, (ii) stability of precipitate phases in CuAl_2, and (iii) phonon dynamics in bcc Zr. We find large vibrational entropy effects in all cases. In the Al-Sc system, vibrations increase the solid solubility of Sc in Al by decreasing the stability of the L12 (Al_3Sc) phase. This leads to a nearly ten-fold increase in the solid solubility of Sc in Al at T=800 K. In the Cu-Al system, our calculations predict that the tetragonal Laves phase of CuAl2 has 0.35 kB/atom higher vibrational entropy than the cubic CaF_2-type phase (the latter is predicted to be the T=0 K ground state of CuAl_2). This entropy difference causes a structural transformation in CuAl2 precipitates from the fluorite to the tetragonal Laves phase around T=500 K. Finally, we analyze the highly unusual dynamics of anharmonically stabilized bcc Zr, finding large diffuse-scattering intensity streaks between the bcc Bragg peaks.

Experimental Studies on Dynamic Vibration Absorber using Shape Memory Alloy (NiTi) Springs

International Nuclear Information System (INIS)

Kumar, V. Raj; Kumar, M. B. Bharathi Raj; Kumar, M. Senthil

2011-01-01

Shape memory alloy (SMA) springs have been used as actuators in many applications although their use in the vibration control area is very recent. Since shape memory alloys differ from conventional alloy materials in many ways, the traditional design approach for springs is not completely suitable for designing SMA springs. Some vibration control concepts utilizing unique characteristics of SMA's will be presented in this paper.A dynamic vibration absorber (DVA) using shape memory alloy (SMA) actuator is developed for attenuation of vibration in a cantilever beam. The design procedure of the DVA is presented. The system consists of a cantilever beam which is considered to generate the real-time vibration using shaker. A SMA spring is used with a mass attached to its end. The stiffness of the SMA spring is dynamically varied in such a way to attenuate the vibration. Both simulation and experimentation are carried out using PID controller. The experiments were carried out by interfacing the experimental setup with a computer using LabVIEW software, Data acquisition and control are implemented using a PCI data acquisition card. Standard PID controllers have been used to control the vibration of the beam. Experimental results are used to demonstrate the effectiveness of the controllers designed and the usefulness of the proposed test platform by exciting the structure at resonance. In experimental setup, an accelerometer is used to measure the vibration which is fed to computer and correspondingly the SMA spring is actuated to change its stiffness to control the vibration. The results obtained illustrate that the developed DVA using SMA actuator is very effective in reducing structural response and have great potential to be an active vibration control medium.

Long-Range Vibrational Dynamics Are Directed by Watson-Crick Base Pairing in Duplex DNA.

Science.gov (United States)

Hithell, Gordon; Shaw, Daniel J; Donaldson, Paul M; Greetham, Gregory M; Towrie, Michael; Burley, Glenn A; Parker, Anthony W; Hunt, Neil T

2016-05-05

Ultrafast two-dimensional infrared (2D-IR) spectroscopy of a 15-mer A-T DNA duplex in solution has revealed structure-dependent vibrational coupling and energy transfer processes linking bases with the sugar-phosphate backbone. Duplex melting induces significant changes in the positions of off-diagonal peaks linking carbonyl and ring-stretching vibrational modes of the adenine and thymine bases with vibrations of the phosphate group and phosphodiester linkage. These indicate that Watson-Crick hydrogen bonding and helix formation lead to a unique vibrational coupling arrangement of base vibrational modes with those of the phosphate unit. On the basis of observations from time-resolved 2D-IR data, we conclude that rapid energy transfer processes occur between base and backbone, mediated by additional modes located on the deoxyribose moiety within the same nucleotide. These relaxation dynamics are insensitive to duplex melting, showing that efficient intramolecular energy relaxation to the solvent via the phosphate groups is the key to excess energy dissipation in both single- and double-stranded DNA.

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

DEFF Research Database (Denmark)

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

2012-01-01

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

State Space Formulation of Nonlinear Vibration Responses Collected from a Dynamic Rotor-Bearing System: An Extension of Bearing Diagnostics to Bearing Prognostics.

Science.gov (United States)

Tse, Peter W; Wang, Dong

2017-02-14

Bearings are widely used in various industries to support rotating shafts. Their failures accelerate failures of other adjacent components and may cause unexpected machine breakdowns. In recent years, nonlinear vibration responses collected from a dynamic rotor-bearing system have been widely analyzed for bearing diagnostics. Numerous methods have been proposed to identify different bearing faults. However, these methods are unable to predict the future health conditions of bearings. To extend bearing diagnostics to bearing prognostics, this paper reports the design of a state space formulation of nonlinear vibration responses collected from a dynamic rotor-bearing system in order to intelligently predict bearing remaining useful life (RUL). Firstly, analyses of nonlinear vibration responses were conducted to construct a bearing health indicator (BHI) so as to assess the current bearing health condition. Secondly, a state space model of the BHI was developed to mathematically track the health evolution of the BHI. Thirdly, unscented particle filtering was used to predict bearing RUL. Lastly, a new bearing acceleration life testing setup was designed to collect natural bearing degradation data, which were used to validate the effectiveness of the proposed bearing prognostic method. Results show that the prediction accuracy of the proposed bearing prognostic method is promising and the proposed bearing prognostic method is able to reflect future bearing health conditions.

State Space Formulation of Nonlinear Vibration Responses Collected from a Dynamic Rotor-Bearing System: An Extension of Bearing Diagnostics to Bearing Prognostics

Directory of Open Access Journals (Sweden)

Peter W. Tse

2017-02-01

Full Text Available Bearings are widely used in various industries to support rotating shafts. Their failures accelerate failures of other adjacent components and may cause unexpected machine breakdowns. In recent years, nonlinear vibration responses collected from a dynamic rotor-bearing system have been widely analyzed for bearing diagnostics. Numerous methods have been proposed to identify different bearing faults. However, these methods are unable to predict the future health conditions of bearings. To extend bearing diagnostics to bearing prognostics, this paper reports the design of a state space formulation of nonlinear vibration responses collected from a dynamic rotor-bearing system in order to intelligently predict bearing remaining useful life (RUL. Firstly, analyses of nonlinear vibration responses were conducted to construct a bearing health indicator (BHI so as to assess the current bearing health condition. Secondly, a state space model of the BHI was developed to mathematically track the health evolution of the BHI. Thirdly, unscented particle filtering was used to predict bearing RUL. Lastly, a new bearing acceleration life testing setup was designed to collect natural bearing degradation data, which were used to validate the effectiveness of the proposed bearing prognostic method. Results show that the prediction accuracy of the proposed bearing prognostic method is promising and the proposed bearing prognostic method is able to reflect future bearing health conditions.

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

International Nuclear Information System (INIS)

Krajcar-Bronic, I.; Kimura, M.

1995-01-01

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

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

Science.gov (United States)

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

2001-06-01

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

Vibrational properties of amorphous semiconductors

International Nuclear Information System (INIS)

Schulz, P.A.B.

1985-01-01

A model for the lattice dynamics of a-Si 1-X N X is introduced. This model is based on a Born hamiltonian, solved in the Bethe lattice approximation. Starting from the local density of vibrational states, we analize the infrared absoption spectra of this material. (author) [pt

Real-time visualization of the vibrational wavepacket dynamics in electronically excited pyrimidine via femtosecond time-resolved photoelectron imaging

Science.gov (United States)

Li, Shuai; Long, Jinyou; Ling, Fengzi; Wang, Yanmei; Song, Xinli; Zhang, Song; Zhang, Bing

2017-07-01

The vibrational wavepacket dynamics at the very early stages of the S1-T1 intersystem crossing in photoexcited pyrimidine is visualized in real time by femtosecond time-resolved photoelectron imaging and time-resolved mass spectroscopy. A coherent superposition of the vibrational states is prepared by the femtosecond pump pulse at 315.3 nm, resulting in a vibrational wavepacket. The composition of the prepared wavepacket is directly identified by a sustained quantum beat superimposed on the parent-ion transient, possessing a frequency in accord with the energy separation between the 6a1 and 6b2 states. The dephasing time of the vibrational wavepacket is determined to be 82 ps. More importantly, the variable Franck-Condon factors between the wavepacket components and the dispersed cation vibrational levels are experimentally illustrated to identify the dark state and follow the energy-flow dynamics on the femtosecond time scale. The time-dependent intensities of the photoelectron peaks originated from the 6a1 vibrational state exhibit a clear quantum beating pattern with similar periodicity but a phase shift of π rad with respect to those from the 6b2 state, offering an unambiguous picture of the restricted intramolecular vibrational energy redistribution dynamics in the 6a1/6b2 Fermi resonance.

Uranium(VI) coordination polymers with pyromellitate ligand: Unique 1D channel structures and diverse fluorescence

Energy Technology Data Exchange (ETDEWEB)

Zhang, Yingjie, E-mail: yzx@ansto.gov.au [Australian Nuclear Science and Technology Organization, Locked Bag 2001, Kirrawee DC, NSW 2232 (Australia); Bhadbhade, Mohan [Mark Wainwright Analytical Centre, University of New South Wales, Kensington, NSW 2052 (Australia); Karatchevtseva, Inna [Australian Nuclear Science and Technology Organization, Locked Bag 2001, Kirrawee DC, NSW 2232 (Australia); Price, Jason R. [Australian Synchrotron, 800 Blackburn Road, Clayton, VIC 3168 (Australia); Liu, Hao [Centre for Clean Energy Technology, School of Chemistry and Forensic Science, University of Technology Sydney, PO Box 123, Broadway, Sydney, NSW 2007 (Australia); Zhang, Zhaoming; Kong, Linggen [Australian Nuclear Science and Technology Organization, Locked Bag 2001, Kirrawee DC, NSW 2232 (Australia); Čejka, Jiří [Department of Mineralogy, National Museum, Václavské náměstí, 68, Prague 1, 115 79-CZ (Czech Republic); Lu, Kim; Lumpkin, Gregory R. [Australian Nuclear Science and Technology Organization, Locked Bag 2001, Kirrawee DC, NSW 2232 (Australia)

2015-03-15

Three new coordination polymers of uranium(VI) with pyromellitic acid (H{sub 4}btca) have been synthesized and structurally characterized. (ED)[(UO{sub 2})(btca)]·(DMSO)·3H{sub 2}O (1) (ED=ethylenediammonium; DMSO=dimethylsulfoxide) has a lamellar structure with intercalation of ED and DMSO. (NH{sub 4}){sub 2}[(UO{sub 2}){sub 6}O{sub 2}(OH){sub 6}(btca)]·~6H{sub 2}O (2) has a 3D framework built from 7-fold coordinated uranyl trinuclear units and btca ligands with 1D diamond-shaped channels (~8.5 Å×~8.6 Å). [(UO{sub 2}){sub 2}(H{sub 2}O)(btca)]·4H{sub 2}O (3) has a 3D network constructed by two types of 7-fold coordinated uranium polyhedron. The unique μ{sub 5}-coordination mode of btca in 3 enables the formation of 1D olive-shaped large channels (~4.5 Å×~19 Å). Vibrational modes, thermal stabilities and fluorescence properties have been investigated. - Graphical abstract: Table of content: three new uranium(VI) coordination polymers with pyromellitic acid (H{sub 4}btca) have been synthesized via room temperature and hydrothermal synthesis methods, and structurally characterized. Two to three dimensional (3D) frameworks are revealed. All 3D frameworks have unique 1D large channels. Their vibrational modes, thermal stabilities and photoluminescence properties have been investigated. - Highlights: • Three new coordination polymers of U(VI) with pyromellitic acid (H{sub 4}btca). • Structures from a 2D layer to 3D frameworks with unique 1D channels. • Unusual µ{sub 5}-(η{sub 1}:η{sub 2}:η{sub 1}:η{sub 2:}η{sub 1}) coordination mode of btca ligand. • Vibrational modes, thermal stabilities and luminescent properties reported.

Vibrational spectroscopy of the electronically excited state. 4. Nanosecond and picosecond time-resolved resonance Raman spectroscopy of carotenoid excited states

International Nuclear Information System (INIS)

Dallinger, R.F.; Farquharson, S.; Woodruff, W.H.; Rodgers, M.A.J.

1981-01-01

Resonance Raman and electronic absorption spectra are reported for the S 0 and T 1 states of the carotenoids β-carotene, zeaxanthin, echinenone, canthaxanthin, dihydroxylycopene, astaxanthin, decapreno(C 50 )-β-carotene, β-apo-8'-carotenal, and ethyl β-apo-8'-carotenoate. The results reveal qualitatively similar ground-state spectra and similar frequency shifts in all observed resonance Raman modes between S 0 and T 1 , regardless of carotenoid structure. Examinations of the relationship of the putative C--C and C==C frequencies in S 0 and T 1 reveals anomalous shifts to lower frequency in the ''single-bond'' mode upon electronic excitation. These shifts may be due to molecular distortions in the excited state which force changes in molecular motions comprising the observed modes. However, another possibility requiring no distortion is that the interaction (off-diagonal) force constants connecting the C--C and C==C modes change sign upon electronic excitation. This latter phenomenon may provide a unitary explanation for the ''anomalous'' frequency shifts in the C--C and C==C modes, both in the T 1 states of carotenoids and in the S 1 states of simpler polyenes, without postulating large, unpredicted structural changes upon excitation or general errors in existing vibrational or theoretical analyses. Resonance Raman and absorbance studies with 35-ps time resolution suggest that S 1 lifetime (of the 1 B/sub u/ and/or the 1 A/sub g/* states) of β-carotene in benzene is less than 1 ps

Tool-specific performance of vibration-reducing gloves for attenuating fingers-transmitted vibration

Science.gov (United States)

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

Neural-network analysis of the vibrational spectra of N-acetyl L-alanyl N '-methyl amide conformational states

DEFF Research Database (Denmark)

Bohr, Henrik; Frimand, Kenneth; Jalkanen, Karl J.

2001-01-01

Density-functional theory (DFT) calculations utilizing the Becke 3LYP hybrid functional have been carried out for N-acetyl L-alanine N'-methylamide and examined with respect to the effect of water on the structure, the vibrational frequencies, vibrational absorption (VA), vibrational circular dic...

Vibrational-rotational model of odd-odd nuclei

International Nuclear Information System (INIS)

Afanas'ev, A.V.; Guseva, T.V.; Tamberg, Yu.Ya.

1988-01-01

The rotational vibrational (RV) model of odd nuclei is generalized to odd-odd nuclei. The hamiltonian, wave functions and matrix elements of the RV-model of odd-odd nuclei are obtained. The expressions obtained for matrix elements of the RV-model of odd-odd nuclei can be used to study the role of vibrational additions in low-lying two-particle states of odd-odd deformed nuclei. Such calculations permit to study more correctly the residual neutron-proton interaction of valent nucleons with respect to collectivization effects

Vibrationally specific photoionization cross sections of acrolein leading to the Χ{sup ~}A{sup '} ionic state

Energy Technology Data Exchange (ETDEWEB)

López-Domínguez, Jesús A.; Lucchese, Robert R., E-mail: lucchese@mail.chem.tamu.edu [Department of Chemistry, Texas A and M University, College Station, Texas 77843-3255 (United States); Fulfer, K. D.; Hardy, David; Poliakoff, E. D. [Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Aguilar, A. A. [Advanced Light Source, Lawrence Berkeley National Laboratory, University of California, Berkeley, California 94720 (United States)

2014-09-07

The vibrational branching ratios in the photoionization of acrolein for ionization leading to the Χ{sup ~}A{sup '} ion state were studied. Computed logarithmic derivatives of the cross section and the corresponding experimental data derived from measured vibrational branching ratios for several normal modes (ν{sub 9}, ν{sub 10}, ν{sub 11}, and ν{sub 12}) were found to be in relatively good agreement, particularly for the lower half of the 11–100 eV photon energy range considered. Two shape resonances have been found near photon energies of 15.5 and 23 eV in the photoionization cross section and have been demonstrated to originate from the partial cross section of the A{sup ′} scattering symmetry. The wave functions computed at the resonance complex energies are delocalized over the whole molecule. By looking at the dependence of the cross section on the different normal mode displacements together with the wave function at the resonant energy, a qualitative explanation is given for the change of the cross sections with respect to changing geometry.

Benefits Of Vibration Analysis For Development Of Equipment In HLW Tanks - 12341

International Nuclear Information System (INIS)

Stefanko, D.; Herbert, J.

2012-01-01

Vibration analyses of equipment intended for use in the Savannah River Site (SRS) radioactive liquid waste storage tanks are performed during pre-deployment testing and has been demonstrated to be effective in reducing the life-cycle costs of the equipment. Benefits of using vibration analysis to identify rotating machinery problems prior to deployment in radioactive service will be presented in this paper. Problems encountered at SRS and actions to correct or lessen the severity of the problem are discussed. In short, multi-million dollar cost saving have been realized at SRS as a direct result of vibration analysis on existing equipment. Vibration analysis of equipment prior to installation can potentially reduce inservice failures, and increases reliability. High-level radioactive waste is currently stored in underground carbon steel waste tanks at the United States Department of Energy (DOE) Savannah River Site and at the Hanford Site, WA. Various types of rotating machinery (pumps and separations equipment) are used to manage and retrieve the tank contents. Installation, maintenance, and repair of these pumps and other equipment are expensive. In fact, costs to remove and replace a single pump can be as high as a half million dollars due to requirements for radioactive containment. Problems that lead to in-service maintenance and/or equipment replacement can quickly exceed the initial investment, increase radiological exposure, generate additional waste, and risk contamination of personnel and the work environment. Several different types of equipment are considered in this paper, but pumps provide an initial example for the use of vibration analysis. Long-shaft (45 foot long) and short-shaft (5-10 feet long) equipment arrangements are used for 25-350 horsepower slurry mixing and transfer pumps in the SRS HLW tanks. Each pump has a unique design, operating characteristics and associated costs, sometimes exceeding a million dollars. Vibration data are routinely

BENEFITS OF VIBRATION ANALYSIS FOR DEVELOPMENT OF EQUIPMENT IN HLW TANKS - 12341

Energy Technology Data Exchange (ETDEWEB)

Stefanko, D.; Herbert, J.

2012-01-10

Vibration analyses of equipment intended for use in the Savannah River Site (SRS) radioactive liquid waste storage tanks are performed during pre-deployment testing and has been demonstrated to be effective in reducing the life-cycle costs of the equipment. Benefits of using vibration analysis to identify rotating machinery problems prior to deployment in radioactive service will be presented in this paper. Problems encountered at SRS and actions to correct or lessen the severity of the problem are discussed. In short, multi-million dollar cost saving have been realized at SRS as a direct result of vibration analysis on existing equipment. Vibration analysis of equipment prior to installation can potentially reduce inservice failures, and increases reliability. High-level radioactive waste is currently stored in underground carbon steel waste tanks at the United States Department of Energy (DOE) Savannah River Site and at the Hanford Site, WA. Various types of rotating machinery (pumps and separations equipment) are used to manage and retrieve the tank contents. Installation, maintenance, and repair of these pumps and other equipment are expensive. In fact, costs to remove and replace a single pump can be as high as a half million dollars due to requirements for radioactive containment. Problems that lead to in-service maintenance and/or equipment replacement can quickly exceed the initial investment, increase radiological exposure, generate additional waste, and risk contamination of personnel and the work environment. Several different types of equipment are considered in this paper, but pumps provide an initial example for the use of vibration analysis. Long-shaft (45 foot long) and short-shaft (5-10 feet long) equipment arrangements are used for 25-350 horsepower slurry mixing and transfer pumps in the SRS HLW tanks. Each pump has a unique design, operating characteristics and associated costs, sometimes exceeding a million dollars. Vibration data are routinely

A comparison between swallowing sounds and vibrations in patients with dysphagia

Science.gov (United States)

Movahedi, Faezeh; Kurosu, Atsuko; Coyle, James L.; Perera, Subashan

2017-01-01

The cervical auscultation refers to the observation and analysis of sounds or vibrations captured during swallowing using either a stethoscope or acoustic/vibratory detectors. Microphones and accelerometers have recently become two common sensors used in modern cervical auscultation methods. There are open questions about whether swallowing signals recorded by these two sensors provide unique or complementary information about swallowing function; or whether they present interchangeable information. The aim of this study is to present a broad comparison of swallowing signals recorded by a microphone and a tri-axial accelerometer from 72 patients (mean age 63.94 ± 12.58 years, 42 male, 30 female), who underwent videofluoroscopic examination. The participants swallowed one or more boluses of thickened liquids of different consistencies, including thin liquids, nectar-thick liquids, and pudding. A comfortable self-selected volume from a cup or a controlled volume by the examiner from a 5ml spoon was given to the participants. A comprehensive set of features was extracted in time, information-theoretic, and frequency domains from each of 881 swallows presented in this study. The swallowing sounds exhibited significantly higher frequency content and kurtosis values than the swallowing vibrations. In addition, the Lempel-Ziv complexity was lower for swallowing sounds than those for swallowing vibrations. To conclude, information provided by microphones and accelerometers about swallowing function are unique and these two transducers are not interchangeable. Consequently, the selection of transducer would be a vital step in future studies. PMID:28495001

On the exponential energy gap law in He--I2 vibrational relaxation

International Nuclear Information System (INIS)

Maricq, M.M.

1990-01-01

A comparison between coupled states, infinite order sudden, and classical path calculations is used to elucidate the origin of an exponential energy gap law recently observed for vibrational relaxation from highly excited states in the B 0 + u state of I 2 due to collisions with He. All three methods provide relaxation cross sections in good agreement with experiment. Anharmonic effects play an important role, with accurate results obtained with a Morse, but not harmonic, oscillator description of the I * 2 molecule. The nearly exact agreement between rotationally summed coupled states cross sections and the IOSA is consistent with the view that the I * 2 molecule does not rotate significantly during a collision. A closed form solution of the forced harmonic oscillator, valid for highly excited states, predicts a J 2 |Δv| distribution of vibrationally relaxed states at a given collision angle and impact parameter. The vibrationally close coupled-infinite order sudden (VCC-IOSA) results bear this out and show that the observed exponential scaling law arises from a superposition of such distributions over θ and b

Theory of vibration protection

CERN Document Server

Karnovsky, Igor A

2016-01-01

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

Vibration of machine

International Nuclear Information System (INIS)

Kwak, Mun Gyu; Na, Sung Su; Baek, Gwang Hyeon; Song, Chul Gi; Han, Sang Bo

2001-09-01

This book deals with vibration of machine which gives descriptions of free vibration using SDOF system, forced vibration using SDOF system, vibration of multi-degree of freedom system like introduction and normal form, distribution system such as introduction, free vibration of bar and practice problem, approximate solution like lumped approximations and Raleigh's quotient, engineering by intuition and experience, real problem and experimental method such as technology of signal, fourier transform analysis, frequency analysis and sensor and actuator.

Quantum control of vibrational excitations in a heteronuclear ...

Indian Academy of Sciences (India)

WINTEC

Optimal control theory is applied to obtain infrared laser pulses for selective vibrational exci- tation in a ... introduced in the field prior to evaluation of the cost functional for better field shape. Conjugate ... focused greater attention on optimal control of quan- tum states ... from the ground state to the first excited state in a.

Prevalence and characteristics of vibrator use by women in the United States: results from a nationally representative study.

Science.gov (United States)

Herbenick, Debra; Reece, Michael; Sanders, Stephanie; Dodge, Brian; Ghassemi, Annahita; Fortenberry, J Dennis

2009-07-01

Although vibrators are commonly recommended by clinicians as adjunct to treatment for female sexual dysfunction, and for sexual enhancement, little is known about their prevalence or correlates of use. The aim of this study was to determine the lifetime and recent prevalence of women's vibrator use during masturbation and partnered sex, and the correlates of use related to sociodemographic variables, health behaviors, and sexual function. A nationally representative sample of 3,800 women aged 18-60 years were invited to participate in a cross-sectional Internet-based survey; 2,056 (54.1%) participated. The prevalence of vibrator use, the relationship between vibrator use and physical and psychological well-being (as assessed by the Centers for Disease Control and Prevention [CDC] Healthy Days measure) and health-promoting behaviors, the relationship between vibrator use and women's scores on the Female Sexual Function Index, and an assessment of the frequency and severity of side effects potentially associated with vibrator use. The prevalence of women's vibrator use was found to be 52.5% (95% CI 50.3-54.7%). Vibrator users were significantly more likely to have had a gynecologic exam during the past year (P health-promoting behaviors and positive sexual function, and rarely associated with side effects. Clinicians may find these data useful in responding to patients' sexual issues and recommending vibrator use to improve sexual function. Further research on the relationships between vibrator use and sexual health is warranted.

Study on Fluid-Induced Vibration Power Harvesting of Square Columns under Different Attack Angles

Directory of Open Access Journals (Sweden)

Meng Zhang

2017-01-01

Full Text Available A model of the flow-vibration-electrical circuit multiphysical coupling system for solving square column vortex-induced vibration piezoelectric energy harvesting (VIVPEH is proposed in this paper. The quasi steady state theory is adopted to describe the fluid solid coupling process of vortex-induced vibration based on the finite volume method coupled Gauss equation. The vibrational response and the quasi steady state form of the output voltage are solved by means of the matrix coefficient method and interactive computing. The results show that attack angles play an important role in the performance of square column VIVPEH, of which α=45° is a relatively ideal attack angle of square column VIVPEH.

On the nature of highly vibrationally excited states of thiophosgene

Indian Academy of Sciences (India)

Understanding the nature of the highly excited molecu- lar eigenstates is equivalent to deciphering the mecha- nism of intramolecular vibrational energy redistribution. (IVR) occurring in the molecule.1 However, the assign- ment of eigenstates is far from simple. The existence of and interplay of several strong anharmonic ...

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

African Journals Online (AJOL)

ATHARVA

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

Identification and reduction of piping-vibrations in plants

International Nuclear Information System (INIS)

Kerkhof, K.

2012-01-01

Safe operation, availability and lifetime assessment of piping systems are of utmost concern for plant operators. The use of tuned mass dampers is a rather new approach for reducing vibrations to avoid high cycle fatigue in a large chemical piping system. The investigated piping system is supported by a tall structure fixed at the base. As a result, the steel building stiffness decreases with height. Furthermore large piping-elbow forces act at the top of the building, which lead to large vibration amplitudes. Since both piping system and supporting structure exhibited these large vibration amplitudes, dampers or shock absorbers placed between them would prove ineffective. Therefore, special vibration absorbers were developed for such piping systems. The paper presents the design process, starting with an extensive system investigation up to the passive multi-axial vibration absorber design parameters. This includes: Laboratory tests with a mock-up pipe system, where the first design ideas for new passive vibration absorbers were investigated. Vibration measurements were carried out to investigate the current state of the vibration behaviour. The piping system was inspected; strain gauges were used to identify stress concentrations at welds and other notches due to ovalization. Finite element calculations were performed, first as a combined beam and shell model for the pipe without the support structure. A detailed model for the combined steel construction and pipe system was created. Model-updating was done to fit the calculated model to the experimental modal analysis data. Loading assumptions describing excitation forces from the mass flow were checked. Harmonic frequency analysis was performed. On the basis of these calculations design parameters for the passive vibration absorber were determined. Finally, a solution for the design of two passive vibration absorbers will be presented.

Identification and reduction of piping-vibrations in plants

Energy Technology Data Exchange (ETDEWEB)

Kerkhof, K. [Stuttgart Univ. (Germany). MPA

2012-07-01

Safe operation, availability and lifetime assessment of piping systems are of utmost concern for plant operators. The use of tuned mass dampers is a rather new approach for reducing vibrations to avoid high cycle fatigue in a large chemical piping system. The investigated piping system is supported by a tall structure fixed at the base. As a result, the steel building stiffness decreases with height. Furthermore large piping-elbow forces act at the top of the building, which lead to large vibration amplitudes. Since both piping system and supporting structure exhibited these large vibration amplitudes, dampers or shock absorbers placed between them would prove ineffective. Therefore, special vibration absorbers were developed for such piping systems. The paper presents the design process, starting with an extensive system investigation up to the passive multi-axial vibration absorber design parameters. This includes: Laboratory tests with a mock-up pipe system, where the first design ideas for new passive vibration absorbers were investigated. Vibration measurements were carried out to investigate the current state of the vibration behaviour. The piping system was inspected; strain gauges were used to identify stress concentrations at welds and other notches due to ovalization. Finite element calculations were performed, first as a combined beam and shell model for the pipe without the support structure. A detailed model for the combined steel construction and pipe system was created. Model-updating was done to fit the calculated model to the experimental modal analysis data. Loading assumptions describing excitation forces from the mass flow were checked. Harmonic frequency analysis was performed. On the basis of these calculations design parameters for the passive vibration absorber were determined. Finally, a solution for the design of two passive vibration absorbers will be presented.

Identification of rotating and vibrating tetrahedrons in the heavy nucleus {sup 208}Pb

Energy Technology Data Exchange (ETDEWEB)

Heusler, A.

2017-11-15

Ten known states in the heavy nucleus {sup 208}Pb at 2.6 < E{sub x} < 7.9 MeV are described by rotating and vibrating tetrahedrons. The 3{sup -} and 4{sup +} yrast states are the first members of the rotational band. A 2{sup ±} doublet state with the 2{sup +} yrast state as one member and the newly recognized 2{sup -} yrast state as the other member, the 1{sup -} yrast state, and the third 0{sup +} state are the heads of the three elementary tetrahedral rotating and vibrating bands. The newly recognized state at E{sub x} = 4142 keV was assigned spin 2 in 1975 and is suggested to have negative parity by the absent {sup 208}Pb(α, α{sup '}) excitation. Four more states at 5.7 < E{sub x} < 7.9 MeV are identified as the next members of the three elementary tetrahedral rotating and vibrating bands. The ambiguous spin assignment to the state at E{sub x} = 7020 keV is settled with 3{sup -}, the state at E{sub x} = 7137 keV is assigned 4{sup -}. (orig.)

Quantum dynamics study on the binding of a positron to vibrationally excited states of hydrogen cyanide molecule

Science.gov (United States)

Takayanagi, Toshiyuki; Suzuki, Kento; Yoshida, Takahiko; Kita, Yukiumi; Tachikawa, Masanori

2017-05-01

We present computational results of vibrationally enhanced positron annihilation in the e+ + HCN/DCN collisions within a local complex potential model. Vibrationally elastic and inelastic cross sections and effective annihilation rates were calculated by solving a time-dependent complex-potential Schrödinger equation under the ab initio potential energy surface for the positron attached HCN molecule, [HCN; e+], with multi-component configuration interaction level (Kita and Tachikawa, 2014). We discuss the effect of vibrational excitation on the positron affinities from the obtained vibrational resonance features.

Natural vibration experimental analysis of Novovoronezhskaya NPP main building

International Nuclear Information System (INIS)

Zoubkov, D.; Isaikin, A.; Shablinsky, G.; Lopanchuk, A.; Nefedov, S.

2005-01-01

1. Natural vibration frequencies are main characteristics of buildings and structures which allow to give integral estimation of their in-service state. Even relatively small changes of these frequencies as compared to the initially registered values point to serious defects of building structures. In this paper we analyzed natural vibration frequencies and natural modes of the main building (MB) of Novovoronezhskaya NPP operating nuclear unit with WWER-440 type reactor. The MB consists of a reactor compartment (RC), a machine room (MR) and an electric device (ED) unit positioned in between. 2. Natural vibration frequencies and natural modes of the MB were determined experimentally by analyzing its microvibrations caused by operation of basic equipment (turbines, pumps, etc.). Microvibrations of the main building were measured at 12 points. At each point measurements were carried out along two or three mutually perpendicular vibration directions. Spectral analysis of vibration records has been conducted. Identification of natural vibration frequencies was carried out on the basis of the spectral peaks and plotted vibration modes (taking into account operating frequencies of the basic equipment of the power generating unit). On the basis of the measurement results three transverse modes and corresponding natural vibration frequencies of the MB, one longitudinal mode and corresponding natural vibration frequency of the MB and two natural frequencies of vertical vibrations of RC and MR floor trusses (1st and 2nd symmetric forms) were determined. Dynamic characteristics of the main building of NV NPP resulting from full scale researches are supposed to be used as one of building structure stability criteria. (authors)

Vibrational Energy Distribution Analysis (VEDA): Scopes and limitations

Science.gov (United States)

Jamróz, Michał H.

2013-10-01

The principle of operations of the VEDA program written by the author for Potential Energy Distribution (PED) analysis of theoretical vibrational spectra is described. Nowadays, the PED analysis is indispensible tool in serious analysis of the vibrational spectra. To perform the PED analysis it is necessary to define 3N-6 linearly independent local mode coordinates. Already for 20-atomic molecules it is a difficult task. The VEDA program reads the input data automatically from the Gaussian program output files. Then, VEDA automatically proposes an introductory set of local mode coordinates. Next, the more adequate coordinates are proposed by the program and optimized to obtain maximal elements of each column (internal coordinate) of the PED matrix (the EPM parameter). The possibility for an automatic optimization of PED contributions is a unique feature of the VEDA program absent in any other programs performing PED analysis.

Ground state hydrogen conformations and vibrational analysis of 1,2-dihdroxyanthraquinone (alizarin) molecule by AB initio Hartree-Fock and density functional theory calculations

International Nuclear Information System (INIS)

Delta, E.; Ucun, F.; Saglam, A.

2010-01-01

The ground state hydrogen conformations of 1,2-dihydroxyanthraquinone (alizarin) molecule have been investigated using ab initio Hartree-Fock (HF) and density functional theory (B3LYP) methods with 6-31G(d,p) basis set. The calculations indicate that the compound in the ground state exist with the doubly bonded O atom linked intra molecularly by the two hydrogen bonds. The vibrational analyses of the ground state conformation of the compound were also made and its optimized geometry parameters were given.

Active vibration control by robust control techniques

International Nuclear Information System (INIS)

Lohar, F.A.

2001-01-01

This paper studies active vibration control of multi-degree-of-freedom system. The control techniques considered are LTR, H/sup 2/ and H/sup infinite/. The results show that LTR controls the vibration but its respective settling time is higher than that of the other techniques. The control performance of H/sup infinite/ control is similar to that of H/sup 2/ control in the case of it weighting functions. However, H/sup infinite/ control is superior to H/sup 2/ control with respect to robustness, steady state error and settling time. (author)

Accurate Quantum Wave Packet Study of the Deep Well D+ + HD Reaction: Product Ro-vibrational State-Resolved Integral and Differential Cross Sections.

Science.gov (United States)

He, Haixiang; Zhu, Weimin; Su, Wenli; Dong, Lihui; Li, Bin

2018-03-08

The H + + H 2 reaction and its isotopic variants as the simplest triatomic ion-molecule reactive system have been attracting much interests, however there are few studies on the titled reaction at state-to-state level until recent years. In this work, accurate state-to-state quantum dynamics studies of the titled reaction have been carried out by a reactant Jacobi coordinate-based time-dependent wave packet approach on diabatic potential energy surfaces constructed by Kamisaka et al. Product ro-vibrational state-resolved information has been calculated for collision energies up to 0.2 eV with maximal total angular momentum J = 40. The necessity of including all K-component for accounting the Coriolis coupling for the reaction has been illuminated. Competitions between the two product channels, (D + + HD' → D' + + HD and D + + HD' → H + + DD') were investigated. Total integral cross sections suggest that resonances enhance the reactivity of channel D + + HD'→ H + + DD', however, resonances depress the reactivity of the another channel D + + HD' → D' + + HD. The structures of the differential cross sections are complicated and depend strongly on collision energies of the two channels and also on the product rotational states. All of the product ro-vibrational state-resolved differential cross sections for this reaction do not exhibit rigorous backward-forward symmetry which may indicate that the lifetimes of the intermediate resonance complexes should not be that long. The dynamical observables of this deuterated isotopic reaction are quite different from the reaction of H + + H 2 → H 2 + H + reported previously.

Sanshool on The Fingertip Interferes with Vibration Detection in a Rapidly-Adapting (RA Tactile Channel.

Directory of Open Access Journals (Sweden)

Scinob Kuroki

Full Text Available An Asian spice, Szechuan pepper (sanshool, is well known for the tingling sensation it induces on the mouth and on the lips. Electrophysiological studies have revealed that its active ingredient can induce firing of mechanoreceptor fibres that typically respond to mechanical vibration. Moreover, a human behavioral study has reported that the perceived frequency of sanshool-induced tingling matches with the preferred frequency range of the tactile rapidly adapting (RA channel, suggesting the contribution of sanshool-induced RA channel firing to its unique perceptual experience. However, since the RA channel may not be the only channel activated by sanshool, there could be a possibility that the sanshool tingling percept may be caused in whole or in part by other sensory channels. Here, by using a perceptual interference paradigm, we show that the sanshool-induced RA input indeed contributes to the human tactile processing. The absolute detection thresholds for vibrotactile input were measured with and without sanshool application on the fingertip. Sanshool significantly impaired detection of vibrations at 30 Hz (RA channel dominant frequency, but did not impair detection of higher frequency vibrations at 240 Hz (Pacinian-corpuscle (PC channel dominant frequency or lower frequency vibrations at 1 Hz (slowly adapting 1 (SA1 channel dominant frequency. These results show that the sanshool induces a peripheral RA channel activation that is relevant for tactile perception. This anomalous activation of RA channels may contribute to the unique tingling experience of sanshool.

Vibration of Elastic Functionally Graded Thick Rings

Directory of Open Access Journals (Sweden)

Guang-Hui Xu

2017-01-01

Full Text Available The free vibration behaviors of functionally graded rings were investigated theoretically. The material graded in the thickness direction according to the power law rule and the rings were assumed to be in plane stress and plane strain states. Based on the first-order shear deformation theory and the kinetic relation of von Kárman type, the frequency equation for free vibration of functionally graded ring was derived. The derived results were verified by those in literatures which reveals that the present theory can be appropriate to predict the free vibration characteristics for quite thick rings with the radius-to-thickness ratio from 60 down to 2.09. Comparison between the plane stress case and the plane strain case indicates a slight difference. Meanwhile, the effects of the structural dimensional parameters and the material inhomogeneous parameter are examined. It is interesting that the value of the logarithmic form of vibration frequency is inversely proportional to the logarithmic form of the radius-to-thickness ratio or the mean radius.

Vibrational thermodynamics of Fe90Zr7B3 nanocrystalline alloy from nuclear inelastic scattering

DEFF Research Database (Denmark)

Stankov, S.; Miglierini, M.; Chumakov, A. I.

2010-01-01

Recently we determined the iron-partial density of vibrational states (DOS) of nanocrystalline Fe(90)Zr(7)B(3) (Nanoperm), synthesized by crystallization of an amorphous precursor, for various stages of nanocrystallization separating the DOS of the nanograins from that of the interfaces [S. Stank......, vibrational entropy, and lattice specific heat as the material transforms from amorphous, through nanocrystalline, to fully crystallized state. The reported results shed new light on the previously observed anomalies in the vibrational thermodynamics of nanocrystalline materials....

Vibrational anomalies and marginal stability of glasses

KAUST Repository

Marruzzo, Alessia; Kö hler, Stephan; Fratalocchi, Andrea; Ruocco, Giancarlo; Schirmacher, Walter

2013-01-01

The experimentally measured vibrational spectrum of glasses strongly deviates from that expected in Debye's elasticity theory: The density of states deviates from Debye's ω2 law ("boson peak"), the sound velocity shows a negative dispersion

Numerical solutions of anharmonic vibration of BaO and SrO molecules

Energy Technology Data Exchange (ETDEWEB)

Pramudito, Sidikrubadi; Sanjaya, Nugraha Wanda [Theoretical Physics Division, Department of Physics, Bogor Agricultural University, Jalan Meranti Kampus IPB Dramaga Bogor 16680 (Indonesia); Sumaryada, Tony, E-mail: tsumaryada@ipb.ac.id [Theoretical Physics Division, Department of Physics, Bogor Agricultural University, Jalan Meranti Kampus IPB Dramaga Bogor 16680 (Indonesia); Computational Biophysics and Molecular Modeling Research Group (CBMoRG), Department of Physics, Bogor Agricultural University, Jalan Meranti Kampus IPB Dramaga Bogor 16680 (Indonesia)

2016-03-11

The Morse potential is a potential model that is used to describe the anharmonic behavior of molecular vibration between atoms. The BaO and SrO molecules, which are two almost similar diatomic molecules, were investigated in this research. Some of their properties like the value of the dissociation energy, the energy eigenvalues of each energy level, and the profile of the wavefunctions in their correspondence vibrational states were presented in this paper. Calculation of the energy eigenvalues and plotting the wave function’s profiles were performed using Numerov method combined with the shooting method. In general we concluded that the Morse potential solved with numerical methods could accurately produce the vibrational properties and the wavefunction behavior of BaO and SrO molecules from the ground state to the higher states close to the dissociation level.

Eckart frame vibration-rotation Hamiltonians: Contravariant metric tensor

International Nuclear Information System (INIS)

Pesonen, Janne

2014-01-01

Eckart frame is a unique embedding in the theory of molecular vibrations and rotations. It is defined by the condition that the Coriolis coupling of the reference structure of the molecule is zero for every choice of the shape coordinates. It is far from trivial to set up Eckart kinetic energy operators (KEOs), when the shape of the molecule is described by curvilinear coordinates. In order to obtain the KEO, one needs to set up the corresponding contravariant metric tensor. Here, I derive explicitly the Eckart frame rotational measuring vectors. Their inner products with themselves give the rotational elements, and their inner products with the vibrational measuring vectors (which, in the absence of constraints, are the mass-weighted gradients of the shape coordinates) give the Coriolis elements of the contravariant metric tensor. The vibrational elements are given as the inner products of the vibrational measuring vectors with themselves, and these elements do not depend on the choice of the body-frame. The present approach has the advantage that it does not depend on any particular choice of the shape coordinates, but it can be used in conjunction with all shape coordinates. Furthermore, it does not involve evaluation of covariant metric tensors, chain rules of derivation, or numerical differentiation, and it can be easily modified if there are constraints on the shape of the molecule. Both the planar and non-planar reference structures are accounted for. The present method is particular suitable for numerical work. Its computational implementation is outlined in an example, where I discuss how to evaluate vibration-rotation energies and eigenfunctions of a general N-atomic molecule, the shape of which is described by a set of local polyspherical coordinates

Anti-vibration gloves?

Science.gov (United States)

Hewitt, Sue; Dong, Ren G; Welcome, Daniel E; McDowell, Thomas W

2015-03-01

For exposure to hand-transmitted vibration (HTV), personal protective equipment is sold in the form of anti-vibration (AV) gloves, but it remains unclear how much these gloves actually reduce vibration exposure or prevent the development of hand-arm vibration syndrome in the workplace. This commentary describes some of the issues that surround the classification of AV gloves, the assessment of their effectiveness and their applicability in the workplace. The available information shows that AV gloves are unreliable as devices for controlling HTV exposures. Other means of vibration control, such as using alternative production techniques, low-vibration machinery, routine preventative maintenance regimes, and controlling exposure durations are far more likely to deliver effective vibration reductions and should be implemented. Furthermore, AV gloves may introduce some adverse effects such as increasing grip force and reducing manual dexterity. Therefore, one should balance the benefits of AV gloves and their potential adverse effects if their use is considered. © Crown copyright 2014.

Exact criteria for uniqueness and multiplicity of an nth order chemical reaction via catastrophe theory approach. [Determines boundaries between unique and multiple steady state conditions

Energy Technology Data Exchange (ETDEWEB)

Chang, H C; Calo, J M

1979-01-01

A simple, generalized technique for the exact determination of the boundaries between regions of unique and of multiple solutions to certain nonlinear equations was developed by applying catastrophe theory to the mapping of implicit and explicit functions. Its application to an nth order reaction in continuous stirred tank reactor (CSTR) yields exact, explicit expressions for the boundaries between regions of single and multiple steady states, expressed in terms of the dimensionless heat transfer coefficient and activation energy. An exact implicit expression for the boundaries between regions of uniqueness and multiplicity was also derived for an nth order reaction in a catalyst particle with an intraparticle concentration gradient and uniform temperature and is fully demonstrated for the first-order reaction. In addition, explicit criteria were developed by assuming the limits on d ln g/d ln q, where g is the effectiveness factor and q the Thiele modulus, proposed by van den Bosch and Luss.

Separate recording of rationally related vibration frequencies using digital stroboscopic holographic interferometry

International Nuclear Information System (INIS)

Alexeenko, Igor; Gusev, Michael; Gurevich, Vadim

2009-01-01

A method for separate recording of rationally related vibration frequencies is presented. To record and measure the mode shape of vibrations, a synchronized stroboscopic CCD camera is used. Synchronization and control of the camera acquisition for recording stroboscopic holographic sequence has been realized. The phase for different states of the object vibration is calculated using the Fourier-transform method. Experimental results are presented, and the advantages and disadvantages of the proposed method are discussed.

Kosovo case: A unique arbitrariness

Directory of Open Access Journals (Sweden)

Nakarada Radmila

2007-01-01

Full Text Available The end of Cold war, contrary to expectations has brought new conflicts and forms of violence, new divisions and new relativizations of the international legal order. Taking as an example the endeavors to resolve the Kosovo conflict, the author attempts to indicate the broader implications of the international efforts to constitute an independent state on part of the territory of an existing sovereign state. The arguments used to justify the redefinition of the borders of the Serbian state without its consent, the moral, democratic, peace arguments, are reviewed. Particular attention is paid to the argument that Kosovo is a unique case and therefore unique rules should be applied. The author seeks to understand the deeper significance of these efforts, concluding that dismantling the present international legal order is not only a potential danger but a possible aim.

Vibrational transition moments of CH4 from first principles

Science.gov (United States)

Yurchenko, Sergei N.; Tennyson, Jonathan; Barber, Robert J.; Thiel, Walter

2013-09-01

New nine-dimensional (9D), ab initio electric dipole moment surfaces (DMSs) of methane in its ground electronic state are presented. The DMSs are computed using an explicitly correlated coupled cluster CCSD(T)-F12 method in conjunction with an F12-optimized correlation consistent basis set of the TZ-family. A symmetrized molecular bond representation is used to parameterise these 9D DMSs in terms of sixth-order polynomials. Vibrational transition moments as well as band intensities for a large number of IR-active vibrational bands of 12CH4 are computed by vibrationally averaging the ab initio dipole moment components. The vibrational wavefunctions required for these averages are computed variationally using the program TROVE and a new ‘spectroscopic’ 12CH4 potential energy surface. The new DMSs will be used to produce a hot line list for 12CH4.

Active control of noise radiation from vibrating structures

DEFF Research Database (Denmark)

Mørkholt, Jakob

developed, based on the theory of radiation filters for estimating the sound radiation from multimodal vibrations. This model has then been used in simulations of optimal feedback control, with special emphasis of the stability margins of the optimal control scheme. Two different methods of designing...... optimal and robust discrete-time feedback controllers for active vibration control of multimodal structures have been compared. They have been showed to yield controllers with identical frequency response characteristics, even though they employ completely different methods of numerical solutions...... and result in different representations of the controllers. The Internal Model Control structure combined with optimal filtering is suggested as an alternative to state space optimal control techniques for designing robust optimal controllers for audio frequency vibration control of resonant structures....

Computing multiple periodic solutions of nonlinear vibration problems using the harmonic balance method and Groebner bases

Science.gov (United States)

Grolet, Aurelien; Thouverez, Fabrice

2015-02-01

This paper is devoted to the study of vibration of mechanical systems with geometric nonlinearities. The harmonic balance method is used to derive systems of polynomial equations whose solutions give the frequency component of the possible steady states. Groebner basis methods are used for computing all solutions of polynomial systems. This approach allows to reduce the complete system to an unique polynomial equation in one variable driving all solutions of the problem. In addition, in order to decrease the number of variables, we propose to first work on the undamped system, and recover solution of the damped system using a continuation on the damping parameter. The search for multiple solutions is illustrated on a simple system, where the influence of the retained number of harmonic is studied. Finally, the procedure is applied on a simple cyclic system and we give a representation of the multiple states versus frequency.

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

International Nuclear Information System (INIS)

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

2012-01-01

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

Ultra-low-vibration pulse-tube cryocooler system - cooling capacity and vibration

Science.gov (United States)

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.

The unique contribution of manual chest compression-vibrations to airflow during physiotherapy in sedated, fully ventilated children.

Science.gov (United States)

Gregson, Rachael K; Shannon, Harriet; Stocks, Janet; Cole, Tim J; Peters, Mark J; Main, Eleanor

2012-03-01

This study aimed to quantify the specific effects of manual lung inflations with chest compression-vibrations, commonly used to assist airway clearance in ventilated patients. The hypothesis was that force applied during the compressions made a significant additional contribution to increases in peak expiratory flow and expiratory to inspiratory flow ratio over and above that resulting from accompanying increases in inflation volume. Prospective observational study. Cardiac and general pediatric intensive care. Sedated, fully ventilated children. Customized force-sensing mats and a commercial respiratory monitor recorded force and respiration during physiotherapy. Percentage changes in peak expiratory flow, peak expiratory to inspiratory flow ratios, inflation volume, and peak inflation pressure between baseline and manual inflations with and without compression-vibrations were calculated. Analysis of covariance determined the relative contribution of changes in pressure, volume, and force to influence changes in peak expiratory flow and peak expiratory to inspiratory flow ratio. Data from 105 children were analyzed (median age, 1.3 yrs; range, 1 wk to 15.9 yrs). Force during compressions ranged from 15 to 179 N (median, 46 N). Peak expiratory flow increased on average by 76% during compressions compared with baseline ventilation. Increases in peak expiratory flow were significantly related to increases in inflation volume, peak inflation pressure, and force with peak expiratory flow increasing by, on average, 4% for every 10% increase in inflation volume (p children.

Coupled thermal, structural and vibrational analysis of a hypersonic engine for flight test

Energy Technology Data Exchange (ETDEWEB)

Sook-Ying, Ho [Defence Science and Technology Organisation, SA (Australia); Paull, A. [Queensland Univ., Dept. of Mechanical Engineering (Australia)

2006-07-15

This paper describes a relatively simple and quick method for implementing aerodynamic heating models into a finite element code for non-linear transient thermal-structural and thermal-structural-vibrational analyses of a Mach 10 generic HyShot scram-jet engine. The thermal-structural-vibrational response of the engine was studied for the descent trajectory from 60 to 26 km. Aerodynamic heating fluxes, as a function of spatial position and time for varying trajectory points, were implemented in the transient heat analysis. Additionally, the combined effect of varying dynamic pressure and thermal loads with altitude was considered. This aero-thermal-structural analysis capability was used to assess the temperature distribution, engine geometry distortion and yielding of the structural material due to aerodynamic heating during the descent trajectory, and for optimising the wall thickness, nose radius of leading edge, etc. of the engine intake. A structural vibration analysis was also performed following the aero-thermal-structural analysis to determine the changes in natural frequencies of the structural vibration modes that occur at the various temperatures associated with the descent trajectory. This analysis provides a unique and relatively simple design strategy for predicting and mitigating the thermal-structural-vibrational response of hypersonic engines. (authors)

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

Science.gov (United States)

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

2018-02-01

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

Modal Vibration Control in Periodic Time-Varying Structures with Focus on Rotor Blade Systems

DEFF Research Database (Denmark)

Christensen, Rene Hardam; Santos, Ilmar

2004-01-01

of active modal controllers. The main aim is to reduce vibrations in periodic time-varying structures. Special emphasis is given to vibration control of coupled bladed rotor systems. A state feedback modal control law is developed based on modal analysis in periodic time-varying structures. The first step...... in the procedure is a transformation of the model into a time-invariant modal form by applying the modal matrices, which are also periodic time-variant. Due to coupled rotor and blade motions complex vibration modes occur in the modal transformed state space model. This implies that the modal transformed model...

Decentralized stabilization of semi-active vibrating structures

Science.gov (United States)

Pisarski, Dominik

2018-02-01

A novel method of decentralized structural vibration control is presented. The control is assumed to be realized by a semi-active device. The objective is to stabilize a vibrating system with the optimal rates of decrease of the energy. The controller relies on an easily implemented decentralized switched state-feedback control law. It uses a set of communication channels to exchange the state information between the neighboring subcontrollers. The performance of the designed method is validated by means of numerical experiments performed for a double cantilever system equipped with a set of elastomers with controlled viscoelastic properties. In terms of the assumed objectives, the proposed control strategy significantly outperforms the passive damping cases and is competitive with a standard centralized control. The presented methodology can be applied to a class of bilinear control systems concerned with smart structural elements.

Analytic description of highly excited vibrational-rotational states of diatomic molecules: II. Application to the hydrogen chloride molecule

International Nuclear Information System (INIS)

Burenin, A.V.; Ryabikin, M.Y.

1995-01-01

Processing of the precise experimental data on transition frequencies and energy levels in the ground electronic state of the H 35 Cl molecule was carried out on the basis of the asymptotically correct perturbation series analytically constructed to describe the discrete vibrational-rotational spectrum of a diatomic molecule. The perturbation series was shown to converge rapidly up to the dissociation energy E D , whereas the conventional Dunham series has a distinct limit of applicability equal to 0.39E D . 12 refs., 2 figs

A diagnostic signal selection scheme for planetary gearbox vibration monitoring under non-stationary operational conditions

International Nuclear Information System (INIS)

Feng, Ke; Wang, KeSheng; Zhang, Mian; Ni, Qing; Zuo, Ming J

2017-01-01

The planetary gearbox, due to its unique mechanical structures, is an important rotating machine for transmission systems. Its engineering applications are often in non-stationary operational conditions, such as helicopters, wind energy systems, etc. The unique physical structures and working conditions make the vibrations measured from planetary gearboxes exhibit a complex time-varying modulation and therefore yield complicated spectral structures. As a result, traditional signal processing methods, such as Fourier analysis, and the selection of characteristic fault frequencies for diagnosis face serious challenges. To overcome this drawback, this paper proposes a signal selection scheme for fault-emphasized diagnostics based upon two order tracking techniques. The basic procedures for the proposed scheme are as follows. (1) Computed order tracking is applied to reveal the order contents and identify the order(s) of interest. (2) Vold–Kalman filter order tracking is used to extract the order(s) of interest—these filtered order(s) constitute the so-called selected vibrations. (3) Time domain statistic indicators are applied to the selected vibrations for faulty information-emphasized diagnostics. The proposed scheme is explained and demonstrated in a signal simulation model and experimental studies and the method proves to be effective for planetary gearbox fault diagnosis. (paper)

Vibrational enhancement of total breakup cross sections

International Nuclear Information System (INIS)

Haftel, M.I.; Lim, T.K.

1984-01-01

This paper considers the role of multi-two-body bound states, namely vibrational excitations, on total three-body breakup cross-sections. Total cross-sections are usually easy to measure, and they play a fundamental role in chemical kinetics. (orig.)

Quantum dynamics of Ne-Br2 vibrational predissociation: the role of continuum resonances as doorway states.

Science.gov (United States)

García-Vela, A; Janda, K C

2006-01-21

Wave-packet simulations of the Ne-Br2(B,upsilon') vibrational predissociation dynamics in the range upsilon' = 16-29 are reported. The aim is to interpret recent time-dependent pump-probe experiments [Cabrera et al., J. Chem. Phys. 123, 054311 (2005)]. Good agreement is found between the calculated and the experimental lifetimes corresponding to decay of the Ne-Br2(B,upsilon') initial state and to appearance of Br2(B,upsilonBr2(B,upsilonBr2(B,upsilonBr2 distances greater than 15 angstroms. In the light of the results, a structure of the spectrum of continuum resonances is suggested and discussed.

Excess vibrational density of states and the brittle to ductile transition in crystalline and amorphous solids.

Science.gov (United States)

Babu, Jeetu S; Mondal, Chandana; Sengupta, Surajit; Karmakar, Smarajit

2016-01-28

The conditions which determine whether a material behaves in a brittle or ductile fashion on mechanical loading are still elusive and comprise a topic of active research among materials physicists and engineers. In this study, we present the results of in silico mechanical deformation experiments from two very different model solids in two and three dimensions. The first consists of particles interacting with isotropic potentials and the other has strongly direction dependent interactions. We show that in both cases, the excess vibrational density of states is one of the fundamental quantities which characterizes the ductility of the material. Our results can be checked using careful experiments on colloidal solids.

The vibrational spectrum of the atoms in the grain boundaries of nanocrystalline Pd

Energy Technology Data Exchange (ETDEWEB)

Stuhr, U. [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Wipf, H.; Hahn, H. [Technische Hochschule Darmstadt (Germany); Natter, H.; Hemperlmann, R. [Universitaet des Saarlandes, Saarbruecken (Germany); Andersen, K. [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)

1997-09-01

The vibrational excitations of the atoms in nanocrystalline Pd was investigated by neutron-time-of-flight spectroscopy. Hydrogen was used as a probe for the vibrations in the grain boundaries. The separation between the H and Pd vibrations was done by spin analysis. The results show that in the grain boundary the density of states of low energy excitations ({<=}5 meV) is drastically increased. (author) 3 figs., 3 refs.

Fingers' vibration transmission and grip strength preservation performance of vibration reducing gloves.

Science.gov (United States)

Hamouda, K; Rakheja, S; Dewangan, K N; Marcotte, P

2018-01-01

The vibration isolation performances of vibration reducing (VR) gloves are invariably assessed in terms of power tools' handle vibration transmission to the palm of the hand using the method described in ISO 10819 (2013), while the nature of vibration transmitted to the fingers is ignored. Moreover, the VR gloves with relatively low stiffness viscoelastic materials affect the grip strength in an adverse manner. This study is aimed at performance assessments of 12 different VR gloves on the basis of handle vibration transmission to the palm and the fingers of the gloved hand, together with reduction in the grip strength. The gloves included 3 different air bladder, 3 gel, 3 hybrid, and 2 gel-foam gloves in addition to a leather glove. Two Velcro finger adapters, each instrumented with a three-axis accelerometer, were used to measure vibration responses of the index and middle fingers near the mid-phalanges. Vibration transmitted to the palm was measured using the standardized palm adapter. The vibration transmissibility responses of the VR gloves were measured in the laboratory using the instrumented cylindrical handle, also described in the standard, mounted on a vibration exciter. A total of 12 healthy male subjects participated in the study. The instrumented handle was also used to measure grip strength of the subjects with and without the VR gloves. The results of the study showed that the VR gloves, with only a few exceptions, attenuate handle vibration transmitted to the fingers only in the 10-200 Hz and amplify middle finger vibration at frequencies exceeding 200 Hz. Many of the gloves, however, provided considerable reduction in vibration transmitted to the palm, especially at higher frequencies. These suggest that the characteristics of vibration transmitted to fingers differ considerably from those at the palm. Four of the test gloves satisfied the screening criteria of the ISO 10819 (2013) based on the palm vibration alone, even though these caused

Vibrational spectroscopy of shock-compressed fluid N2 and O2

International Nuclear Information System (INIS)

Schmidt, S.C.; Moore, D.S.; Shaw, M.S.; Johnson, J.D.

1987-01-01

Single-pulse multiplex coherent anti-Stokes Raman scattering (CARS) was used to observe the vibrational spectra of liquid N 2 shock-compressed to several pressures and temperatures up to 41 GPa and 5200 K and liquid O 2 shock-compressed to several pressures and temperatures up to 10 GPa and 1000 K. For N 2 , the experimental spectra were compared to synthetic spectra calculated using a semiclassical model for CARS intensities and estimated vibrational frequencies, peak Raman susceptibilities, and Raman line widths. The question of excited state populations in the shock-compressed state is addressed

Flow induced vibration in shell and tube heat exchangers

International Nuclear Information System (INIS)

Soper, B.M.H.

1981-01-01

Assessing heat exchanger designs, from the standpoint of flow induced vibration, is becoming increasingly important as shell side flow velocities are increased in a quest for better thermal performance. This paper reviews the state of the art concerning the main sources of vibration excitation, i.e. vortex shedding resonance, turbulent buffeting, fluidelastic instability and acoustic resonance, as well as the structural dynamics of the tubes. It is concluded that there are many areas which require further investigation but there are sufficient data available at present to design, with reasonable confidence, units that will be free from flow induced vibration. Topics which are considered to be key areas for further work are listed

Friction brake cushions acceleration and vibration loads

Science.gov (United States)

Fraser, G. F.; Zawadski, G. Z.

1966-01-01

Friction brake cushions an object in a vehicle from axially applied vibration and steady-state acceleration forces. The brake incorporates a doubly tapered piston that applies a controlled radial force to friction brake segments bearing against the walls of a cylinder.

Monitoring of vibrating machinery using artificial neural networks

International Nuclear Information System (INIS)

Alguindigue, I.E.; Loskiewicz-Buczak, A.

1991-01-01

The primary source of vibration in complex engineering systems is rotating machinery. Vibration signatures collected from these components render valuable information about the operational state of the system and may be used to perform diagnostics. For example, the low frequency domain contains information about unbalance, misalignment, instability in journal bearing and mechanical looseness; analysis of the medium frequency range can render information about faults in meshing gear teeth; while the high frequency domain will contain information about incipient faults in rolling-element bearings. Trend analysis may be performed by comparing the vibration spectrum for each machine with a reference spectrum and evaluating the vibration magnitude changes at different frequencies. This form of analysis for diagnostics is often performed by maintenance personnel monitoring and recording transducer signals and analyzing the signals to identify the operating condition of the machine. With the advent of portable fast Fourier transform (FFT) analyzers and ''laptop'' computers, it is possible to collect and analyze vibration data an site and detect incipient failures several weeks or months before repair is necessary. It is often possible to estimate the remaining life of certain systems once a fault has been detected. RMS velocity, acceleration, displacements, peak value, and crest factor readings can be collected from vibration sensors. To exploit all the information embedded in these signals, a robust and advanced analysis technique is required. Our goal is to design a diagnostic system using neural network technology, a system such as this would automate the interpretation of vibration data coming from plant-wide machinery and permit efficient on-line monitoring of these components

Resonances in photoionization. Cross section for vibrationally excited H2

International Nuclear Information System (INIS)

Mezei, J.Zs.; Jungen, Ch.

2011-01-01

Complete text of publication follows. Diatomic molecular Hydrogen is the most abundant molecule in interstellar molecular clouds. The modeling of these environments relies on accurate cross sections for the various relevant processes. Among them, the photoionization plays a major role in the kinetics and in the energy exchanges involving H 2 . The recent discovery of vibrationally excited molecular hydrogen in extragalactic environments revealed the need for accurate evaluation of the corresponding photoionization cross sections. In the present work we report theoretical photoionization cross sections for excitation from excited vibrational levels of the ground state, dealing with the Q(N = 1) (ΔN = 0, where N is the total angular momentum of the molecule) transitions which account for roughly one third of the total photoabsorption cross section. We will focus on the v' = 1 excited level of the ground electronic state. Our calculations are based on Multichannel Quantum Defect Theory (MQDT), which allows us to take into account of the full manifold of Rydberg states and their interactions with the electronic continuum. We have carried out two types of MQDT calculations. First, we omitted all open channels and calculated energy levels, wave functions and spontaneous emission Einstein coefficients, making use of the theoretical method presented in [2]. In a second set of calculations we included the open ionization channels in the computations getting the continuum phase shifts, channel mixing coefficients and channel dipole moments and finally the photoabsorption/ photoionization cross section. The cross section is dominated by the presence of resonance structures corresponding to excitation of various vibrational levels of bound electronic states which lie above the ionization threshold. In order to assess the importance of the resonances we have calculated for each vibrational interval (the energy interval between two consecutive ionization thresholds) the

PREFACE: International Conference on Vibration Problems (ICOVP-2015)

Science.gov (United States)

2015-12-01

150 participants from India and abroad. The infrastructure facilities, administrative help, and financial support provided by Kakatiya University are gratefully acknowledged. The financial support received from Telangana State Council of Higher Education, University Grant Commission (UGC), National Board for Higher Mathematics (NBHM), Department of Atomic Energy (DAE), Ministry of Earth Sciences, and State Bank of Hyderabad are thankfully acknowledged. The thanks are due to all the speakers and participants who have come to this place by performing long journies and facing many inconveniences. Thanks are also due to International Scientific Committee members, reviewers, local organizing committee members, the members of organizing sub committees, supporting staff, research scholars, and the students for their help. This Conference Series is the outcome of the contributions from the conference and is broadly classified into five sections containing the papers from Solid Mechanics (SM), Fluid Mechanics (FM), Mechanical Engineering (ME), Applied Mathematics(AM), and Physics(PH). All efforts have been made to maintain the consiouness and standards that are the Hallmarks of Institute of Physics (IOP). We appreciate the efforts of Dr.B.Sandhya Rani, Dr.G.Rajitha, and Ms. Hari Priya, research scholors in the Department of Mathematics, Kakatiya University for checking the typos and pointing out the numerous errors. We also appreciate Dr.D.Rajaiah and Mr.D.Ranadheer, research scholors, in the Department for their efforts in the preparation of some LaTeX files. International Conference on Vibration Problems (ICOVP-2015).

PREFACE: Vibrations at surfaces Vibrations at surfaces

Science.gov (United States)

Rahman, Talat S.

2011-12-01

This special issue is dedicated to the phenomenon of vibrations at surfaces—a topic that was indispensible a couple of decades ago, since it was one of the few phenomena capable of revealing the nature of binding at solid surfaces. For clean surfaces, the frequencies of modes with characteristic displacement patterns revealed how surface geometry, as well as the nature of binding between atoms in the surface layers, could be different from that in the bulk solid. Dispersion of the surface phonons provided further measures of interatomic interactions. For chemisorbed molecules on surfaces, frequencies and dispersion of the vibrational modes were also critical for determining adsorption sites. In other words, vibrations at surfaces served as a reliable means of extracting information about surface structure, chemisorption and overlayer formation. Experimental techniques, such as electron energy loss spectroscopy and helium-atom-surface scattering, coupled with infra-red spectroscopy, were continually refined and their resolutions enhanced to capture subtleties in the dynamics of atoms and molecules at surfaces. Theoretical methods, whether based on empirical and semi-empirical interatomic potential or on ab initio electronic structure calculations, helped decipher experimental observations and provide deeper insights into the nature of the bond between atoms and molecules in regions of reduced symmetry, as encountered on solid surfaces. Vibrations at surfaces were thus an integral part of the set of phenomena that characterized surface science. Dedicated workshops and conferences were held to explore the variety of interesting and puzzling features revealed in experimental and theoretical investigations of surface vibrational modes and their dispersion. One such conference, Vibrations at Surfaces, first organized by Harald Ibach in Juelich in 1980, continues to this day. The 13th International Conference on Vibrations at Surfaces was held at the University of

Using vibrational Cooper minima to determine strong-field molecular-dissociation pathways

Science.gov (United States)

Severt, T.; Zohrabi, M.; Armstrong, G. S. J.; McKenna, J.; Gaire, B.; Kling, Nora G.; Ablikim, U.; Carnes, K. D.; Esry, B. D.; Ben-Itzhak, I.

2015-05-01

We explore the possibility of using vibrational ``Cooper minima'' (VCM) locations as a method to determine dissociation pathways of molecules in a strong laser field. As a test case, we study the laser-induced dissociation of an O2+ion beam by several wavelengths (λ = 800 , 400, and 266 nm) using a coincidence three-dimensional momentum imaging technique. Vibrational structure is observed in the kinetic energy release spectra, revealing a suppression of the dissociation of certain vibrational levels, which is a manifestation of the VCM effect. Previously, it has been shown in H2+that first-order time-dependent perturbation theory can be used to predict the locations of the VCM. We explore if the VCM locations predicted by perturbation theory can help uniquely identify dissociation pathways in O2+and consider its utility for other systems. Supported by the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy. TS was partially supported by NSF-REU under Grant No. PHY-0851599.

Propagation of steady-state vibration in periodic pipes conveying fluid on elastic foundations with external moving loads

Energy Technology Data Exchange (ETDEWEB)

Yu, Dianlong, E-mail: dianlongyu@yahoo.com.cn [Laboratory of Science and Technology on Integrated Logistics Support, National University of Defense Technology, Changsha 410073 (China); MOE Key Laboratory of Photonic and Phononic Crystals, National University of Defense Technology, Changsha 410073 (China); Wen, Jihong; Shen, Huijie; Wen, Xisen [Laboratory of Science and Technology on Integrated Logistics Support, National University of Defense Technology, Changsha 410073 (China); MOE Key Laboratory of Photonic and Phononic Crystals, National University of Defense Technology, Changsha 410073 (China)

2012-10-01

The propagation of steady-state vibration in a periodic pipe conveying fluid on elastic foundation with an external moving load is studied using wave propagation and attenuation theory. Wavenumbers and propagation properties in a moving coordinate system are investigated. The propagation constants are calculated using transfer matrix theory to determine whether the perturbation, which is introduced by an external moving load, can propagate through the pipe or not. The Bragg and locally resonant band gaps, corresponding to the velocity field, can exist in a periodic pipe system. In addition, the effects on both types of band gaps have been analysed.

Propagation of steady-state vibration in periodic pipes conveying fluid on elastic foundations with external moving loads

International Nuclear Information System (INIS)

Yu, Dianlong; Wen, Jihong; Shen, Huijie; Wen, Xisen

2012-01-01

The propagation of steady-state vibration in a periodic pipe conveying fluid on elastic foundation with an external moving load is studied using wave propagation and attenuation theory. Wavenumbers and propagation properties in a moving coordinate system are investigated. The propagation constants are calculated using transfer matrix theory to determine whether the perturbation, which is introduced by an external moving load, can propagate through the pipe or not. The Bragg and locally resonant band gaps, corresponding to the velocity field, can exist in a periodic pipe system. In addition, the effects on both types of band gaps have been analysed.

Vibrational Spectroscopy on Photoexcited Dye-Sensitized Films via Pump-Degenerate Four-Wave Mixing.

Science.gov (United States)

Abraham, Baxter; Fan, Hao; Galoppini, Elena; Gundlach, Lars

2018-03-01

Molecular sensitization of semiconductor films is an important technology for energy and environmental applications including solar energy conversion, photocatalytic hydrogen production, and water purification. Dye-sensitized films are also scientifically complex and interesting systems with a long history of research. In most applications, photoinduced heterogeneous electron transfer (HET) at the molecule/semiconductor interface is of critical importance, and while great progress has been made in understanding HET, many open questions remain. Of particular interest is the role of combined electronic and vibrational effects and coherence of the dye during HET. The ultrafast nature of the process, the rapid intramolecular vibrational energy redistribution, and vibrational cooling present complications in the study of vibronic coupling in HET. We present the application of a time domain vibrational spectroscopy-pump-degenerate four-wave mixing (pump-DFWM)-to dye-sensitized solid-state semiconductor films. Pump-DFWM can measure Raman-active vibrational modes that are triggered by excitation of the sample with an actinic pump pulse. Modifications to the instrument for solid-state samples and its application to an anatase TiO 2 film sensitized by a Zn-porphyrin dye are discussed. We show an effective combination of experimental techniques to overcome typical challenges in measuring solid-state samples with laser spectroscopy and observe molecular vibrations following HET in a picosecond time window. The cation spectrum of the dye shows modes that can be assigned to the linker group and a mode that is localized on the Zn-phorphyrin chromophore and that is connected to photoexcitation.

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

DEFF Research Database (Denmark)

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

2005-01-01

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

Vibrational inelastic and charge transfer processes in H++H2 system: An ab initio study

Science.gov (United States)

Amaran, Saieswari; Kumar, Sanjay

2007-12-01

State-resolved differential cross sections, total and integral cross sections, average vibrational energy transfer, and the relative probabilities are computed for the H++H2 system using the newly obtained ab initio potential energy surfaces at the full CI/cc-pVQZ level of accuracy which allow for both the direct vibrational inelastic and the charge transfer processes. The quantum dynamics is treated within the vibrational close-coupling infinite-order-sudden approximation approach using the two ab initio quasidiabatic potential energy surfaces. The computed collision attributes for both the processes are compared with the available state-to-state scattering experiments at Ec.m.=20eV. The results are in overall good agreement with most of the observed scattering features such as rainbow positions, integral cross sections, and relative vibrational energy transfers. A comparison with the earlier theoretical study carried out on the semiempirical surfaces (diatomics in molecules) is also made to illustrate the reliability of the potential energy surfaces used in the present work.

Spectroscopic investigation of the vibrational quasi-continuum arising from internal rotation of a methyl group

Energy Technology Data Exchange (ETDEWEB)

Hougen, J.T. [NIST, Gaithersburg, MD (United States)

1993-12-01

The goal of this project is to use spectroscopic techniques to investigate in detail phenomena involving the vibrational quasi-continuum in a simple physical system. Acetaldehyde was chosen for the study because: (i) methyl groups have been suggested to be important promotors of intramolecular vibrational relaxation, (ii) the internal rotation of a methyl group is an easily describle large-amplitude motion, which should retain its simple character even at high levels of excitation, and (iii) the aldehyde carbonyl group offers the possibility of both vibrational and electronic probing. The present investigation of the ground electronic state has three parts: (1) understanding the {open_quotes}isolated{close_quotes} internal-rotation motion below, at, and above the top of the torsional barrier, (2) understanding in detail traditional (bond stretching and bending) vibrational fundamental and overtone states, and (3) understanding interactions involving states with multiquantum excitations of at least one of these two kinds of motion.

Vibrational spectroscopy and intramolecular energy transfer in isocyanic acid (HNCO)

International Nuclear Information System (INIS)

Coffey, M.J.; Berghout, H.L.; Woods, E. III; Crim, F.F.

1999-01-01

Room temperature photoacoustic spectra in the region of the first through the fourth overtones (2ν 1 to 5ν 1 ) and free-jet action spectra of the second through the fourth overtones (3ν 1 to 5ν 1 ) of the N - H stretching vibration permit analysis of the vibrational and rotational structure of HNCO. The analysis identifies the strong intramolecular couplings that control the early stages of intramolecular vibrational energy redistribution (IVR) and gives the interaction matrix elements between the zero-order N - H stretching states and the other zero-order states with which they interact. The experimentally determined couplings and zero-order state separations are consistent with ab initio calculations of East, Johnson, and Allen [J. Chem. Phys. 98, 1299 (1993)], and comparison with the calculation identifies the coupled states and likely interactions. The states most strongly coupled to the pure N - H stretching zero-order states are ones with a quantum of N - H stretching excitation (ν 1 ) replaced by different combinations of N - C - O asymmetric or symmetric stretching excitation (ν 2 or ν 3 ) and trans-bending excitation (ν 4 ). The two strongest couplings of the nν 1 state are to the states (n-1)ν 1 +ν 2 +ν 4 and (n-1)ν 1 +ν 3 +2ν 4 , and sequential couplings through a series of low order resonances potentially play a role. The analysis shows that if the pure N - H stretch zero-order state were excited, energy would initially flow out of that mode into the strongly coupled mode in 100 fs to 700 fs, depending on the level of initial excitation. copyright 1999 American Institute of Physics

Vibrational self-consistent field theory using optimized curvilinear coordinates.

Science.gov (United States)

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).

Some problems of control of dynamical conditions of technological vibrating machines

Science.gov (United States)

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.

Forming the stress state of a vibroisolated building in the process of mounting rubber steel vibration isolator

Directory of Open Access Journals (Sweden)

Dashevskiy Mikhail Aronovich

2015-12-01

Full Text Available The necessity to specificate the formation process of stress-strain state of buildings in the construction process is a new problem which requires including real production characteristics going beyond calculation models into calculation methods. Today the construction process lacks this specification. When mounting vibroisolators the stress-strein of a structure state is changing. The mounting method of vibroisolators is patented and consists in multistage successive compression loading of each vibroisolator with the constant speed and following fixation of this displacement. The specified engineering method of rubber-steel pads calculation in view of change of their form during deformation, nonlinearity, rheological processes is offered. Resilient pads look like rubber plates rectangular in plane reinforced on the basic surfaces with metal sheets. The influence of a time-variable static load and free vibrations of loaded pads are considered.

Efficient cooling of quantized vibrations using a four-level configuration

Science.gov (United States)

Yan, Lei-Lei; Zhang, Jian-Qi; Zhang, Shuo; Feng, Mang

2016-12-01

Cooling vibrational degrees of freedom down to ground states is essential to observation of quantum properties of systems with mechanical vibration. We propose two cooling schemes employing four internal levels of the systems, which achieve the ground-state cooling in an efficient fashion by completely deleting the carrier and first-order blue-sideband transitions. The schemes, based on quantum interference and Stark-shift gates, are robust to fluctuations of laser intensity and frequency. The feasibility of the schemes is justified using current laboratory technology. In practice, our proposal readily applies to a nanodiamond nitrogen-vacancy center levitated in an optical trap or attached to a cantilever.

Overtone spectroscopy of the hydroxyl stretch vibration in hydroxylamine (NH2OH)

International Nuclear Information System (INIS)

Scott, J.L.; Luckhaus, D.; Brown, S.S.; Crim, F.F.

1995-01-01

We present photoacoustic spectra of the second (3ν OH ), third (4ν OH ), and fourth (5ν OH ) overtone bands of the hydroxyl stretch vibration in hydroxylamine. Asymmetric rotor simulations of the rovibrational contours provide rotational constants and an estimate of the homogeneous linewidth. The fourth overtone band appears anomalously broad relative to the two lower bands, reflecting a sharp increase in the rate of intramolecular vibrational energy redistribution (IVR). By contrast, the calculated density of states increases smoothly with energy. The homogeneous linewidth of the fourth overtone transition is similar to that measured by Luo et al. [J. Chem. Phys. 93, 9194 (1990)] for the predissociative sixth overtone band, supporting the conclusion that the broadening arises from increased (ro)vibrational coupling at an energy between the third and fourth overtone states

Holy images on blades: unique swords from the State Hermitage Museum (preliminary publication

Directory of Open Access Journals (Sweden)

Vsevolod Obraztsov

2013-12-01

Full Text Available The focus of this article are interesting rarities from the collection of the State Hermitage Museum - swords of the 17th-18th centuries with inscriptions in Greek and Slavonic, with images of Christian saints inlaid in gold. The authors offer the general characteristics of 17 exemplars of this kind of arms which are divided into several groups according to the shape of the hilt. A brief overview of the relatively few publications on this subject includes articles by Vasilii Prokhorov (1877; data from the Index of the Medieval Department of the Imperial Hermitage published by Nikodim Kondakov (1891, a catalogue of Count Sergei Sheremetev's collection of arms compiled by Eduard Lenz (1895, and a monograph by E. Astvatsaturian on Turkish arms from the collection of the State Historical Museum (2002. The authors pay special attention to the description and analysis of two swords from the Hermit- age collection. One of them belonged to Count Michail Miloradovich, and was presented to him in 1807 from the city of Bucharest. The second sword came to the Hermitage after the Bolshevik Revolution from the Marble Palace, the residency of the Grand Dukes Konstantinovichi. Besides the traditional inscriptions and images of the Virgin with Child crowned by angels, the blade bears a unique image of Byzantine Emperor Nikephoros Phokas blessed by Jesus Christ with both hands. There are also two cartouches with quotations from Psalms in Greek. The extremely rich décor of this sword and the unique depiction of the Byzantine Emperor leave no doubt that they were made on a special order. The authors connect the sword to the Greek Project initiated by the Russian Empress Catherine the Great. The main idea of the project was a restoration of the Byzantine Empire with Constantinople-Istanbul as its capital, where Grand Duke Konstantin, Catherine the Great's grandchild, would be ascended to the throne. This article is a preliminary publication of a project in process

Anatomy of an Exciton : Vibrational Distortion and Exciton Coherence in H- and J-Aggregates

NARCIS (Netherlands)

Tempelaar, Roel; Stradomska, Anna; Knoester, Jasper; Spano, Frank C.

2013-01-01

In organic materials, coupling of electronic excitations to vibrational degrees of freedom results in polaronic excited states. Through numerical calculations, we demonstrate that the vibrational distortion field accompanying such a polaron scales as the product of the excitonic interaction field

Design of Wind Turbine Vibration Monitoring System

Directory of Open Access Journals (Sweden)

Shoubin Wang

2013-04-01

Full Text Available In order to ensure safety of wind turbine operation and to reduce the occurrence of faults as well as to improve the reliability of wind turbine operation, a vibration monitoring for wind turbine is developed. In this paper, it analyses the enlargement of all the parts of the structure and the working mechanism, the research method of wind turbine operation vibration is introduced, with the focus being the use of the sensor principle. Finally the hardware design and software of this system is introduced and the main function of this system is described, which realizes condition monitoring of the work state of wind turbines.

Resonance tunneling electron-vibrational spectroscopy of polyoxometalates.

Science.gov (United States)

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

2017-05-21

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

Zero-point energy, tunnelling, and vibrational adiabaticity in the Mu + H2 reaction

Science.gov (United States)

Mielke, Steven L.; Garrett, Bruce C.; Fleming, Donald G.; Truhlar, Donald G.

2015-01-01

Isotopic substitution of muonium for hydrogen provides an unparalleled opportunity to deepen our understanding of quantum mass effects on chemical reactions. A recent topical review in this journal of the thermal and vibrationally state-selected reaction of Mu with H2 raises a number of issues that are addressed here. We show that some earlier quantum mechanical calculations of the Mu + H2 reaction, which are highlighted in this review, and which have been used to benchmark approximate methods, are in error by as much as 19% in the low-temperature limit. We demonstrate that an approximate treatment of the Born-Oppenheimer diagonal correction that was used in some recent studies is not valid for treating the vibrationally state-selected reaction. We also discuss why vibrationally adiabatic potentials that neglect bend zero-point energy are not a useful analytical tool for understanding reaction rates, and why vibrationally non-adiabatic transitions cannot be understood by considering tunnelling through vibrationally adiabatic potentials. Finally, we present calculations on a hierarchical family of potential energy surfaces to assess the sensitivity of rate constants to the quality of the potential surface.

Cross sections for the vibrational excitation of the H2 X 1Σ+g(v) levels generated by electron collisional excitation of the higher singlet states

International Nuclear Information System (INIS)

Hiskes, J.R.

1991-01-01

The excitation cross sections, σ(v,v double-prime), for an H 2 molecule initially in any one of the 15 vibrational levels, v belonging to the ground electronic state and excited to a final vibrational level, v double-prime are evaluated for direct excitations via all members of the excited electronic singlet spectrum. Account is taken of predissociation, autoionization, and radiative decay of the excited electronic spectrum that leads to a final population distribution for the ground electronic state, X 1 Σ + g (v double-prime). For v=0, account is taken explicitly of transitions via the B, C, B', and D electronic states in evaluating the cross sections. The additional contribution of excitations via all Rydberg states lying above the D state enhances these cross sections by approximately 10%. For v>0, cross sections are evaluated taking explicit account of transitions through the B and C states; higher singlet excitations enhance these values by 25%. The choice of the reference total cross sections remains a subjective one, causing the values calculated here to have a possible uncertainty of +20% -30% . For excitations occurring within a hydrogen discharge, collisional excitation-ionization events among the intermediate singlet states will effectively quench the v, v double-prime excitation process for discharge densities in excess of the range 10 15 --10 16 electrons/cm -3

Do vibrationally excited OH molecules affect middle and upper atmospheric chemistry?

Directory of Open Access Journals (Sweden)

T. von Clarmann

2010-10-01

Full Text Available Except for a few reactions involving electronically excited molecular or atomic oxygen or nitrogen, atmospheric chemistry modelling usually assumes that the temperature dependence of reaction rates is characterized by Arrhenius' law involving kinetic temperatures. It is known, however, that in the upper atmosphere the vibrational temperatures may exceed the kinetic temperatures by several hundreds of Kelvins. This excess energy has an impact on the reaction rates. We have used upper atmospheric OH populations and reaction rate coefficients for OH(v=0...9+O₃ and OH(v=0...9+O to estimate the effective (i.e. population weighted reaction rates for various atmospheric conditions. We have found that the effective rate coefficient for OH(v=0...9+O₃ can be larger by a factor of up to 1470 than that involving OH in its vibrational ground state only. At altitudes where vibrationally excited states of OH are highly populated, the OH reaction is a minor sink of O_x and O₃ compared to other reactions involving, e.g., atomic oxygen. Thus the impact of vibrationally excited OH on the ozone or O_x sink remains small. Among quiescent atmospheres under investigation, the largest while still small (less than 0.1% effect was found for the polar winter upper stratosphere and mesosphere. The contribution of the reaction of vibrationally excited OH with ozone to the OH sink is largest in the upper polar winter stratosphere (up to 4%, while its effect on the HO₂ source is larger in the lower thermosphere (up to 1.5% for polar winter and 2.5% for midlatitude night conditions. For OH(v=0...9+O the effective rate coefficients are lower by up to 11% than those involving OH in its vibrational ground state. The effects on the odd oxygen sink are negative and can reach −3% (midlatitudinal nighttime lowermost thermosphere, i.e. neglecting vibrational excitation overestimates the odd

Vibration analysis and vibration damage assessment in nuclear and process equipment

International Nuclear Information System (INIS)

Pettigrew, M.J.; Taylor, C.E.; Fisher, N.J.; Yetisir, M.; Smith, B.A.W.

1997-01-01

Component failures due to excessive flow-induced vibration are still affecting the performance and reliability of process and nuclear components. The purpose of this paper is to discuss flow-induced vibration analysis and vibration damage prediction. Vibration excitation mechanisms are described with particular emphasis on fluid elastic instability. The dynamic characteristics of process and power equipment are explained. The statistical nature of some parameters, in particular support conditions, is discussed. The prediction of fretting-wear damage is approached from several points-of-view. An energy approach to formulate fretting-wear damage is proposed. (author)

Vibration of hydraulic machinery

CERN Document Server

Wu, Yulin; Liu, Shuhong; Dou, Hua-Shu; Qian, Zhongdong

2013-01-01

Vibration of Hydraulic Machinery deals with the vibration problem which has significant influence on the safety and reliable operation of hydraulic machinery. It provides new achievements and the latest developments in these areas, even in the basic areas of this subject. The present book covers the fundamentals of mechanical vibration and rotordynamics as well as their main numerical models and analysis methods for the vibration prediction. The mechanical and hydraulic excitations to the vibration are analyzed, and the pressure fluctuations induced by the unsteady turbulent flow is predicted in order to obtain the unsteady loads. This book also discusses the loads, constraint conditions and the elastic and damping characters of the mechanical system, the structure dynamic analysis, the rotor dynamic analysis and the system instability of hydraulic machines, including the illustration of monitoring system for the instability and the vibration in hydraulic units. All the problems are necessary for vibration pr...

Vibrational energy transfer in hydrogen liquid and its isotopes

International Nuclear Information System (INIS)

Gale, G.M.; Delalande, C.

1978-01-01

The transfer of vibrational energy (V-V) from H 2 to isotopic impurities (HD or D 2 ) has been studied in the liquid state, between 15 and 30 K. The subsequent ralaxation (V-T) of the excited impurity by the H 2 liquid host has also been measured and contrasted with the vibrational relaxation behaviour of pure H 2 and D 2 liquids. The isothermal density dependence of both V-V and V-T transfer has been investigated in the fluid state at 30 K. High density relaxation rates are also compared to the data in the pure gases and to other available gas phase results. Measurements in the solid, near the triple-point temperature, are equally reported for each process studied. (Auth.)

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

Energy Technology Data Exchange (ETDEWEB)

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

2012-09-11

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

Kinetics and dynamics of near-resonant vibrational energy transfer in gas ensembles of atmospheric interest

Science.gov (United States)

McCaffery, Anthony J.

2018-03-01

This study of near-resonant, vibration-vibration (V-V) gas-phase energy transfer in diatomic molecules uses the theoretical/computational method, of Marsh & McCaffery (Marsh & McCaffery 2002 J. Chem. Phys. 117, 503 (doi:10.1063/1.1489998)) The method uses the angular momentum (AM) theoretical formalism to compute quantum-state populations within the component molecules of large, non-equilibrium, gas mixtures as the component species proceed to equilibration. Computed quantum-state populations are displayed in a number of formats that reveal the detailed mechanism of the near-resonant V-V process. Further, the evolution of quantum-state populations, for each species present, may be followed as the number of collision cycles increases, displaying the kinetics of evolution for each quantum state of the ensemble's molecules. These features are illustrated for ensembles containing vibrationally excited N2 in H2, O2 and N2 initially in their ground states. This article is part of the theme issue `Modern theoretical chemistry'.

Vibrations and Eigenvalues

Indian Academy of Sciences (India)

We make music by causing strings, membranes, or air columns to vibrate. Engineers design safe structures by control- ling vibrations. I will describe to you a very simple vibrating system and the mathematics needed to analyse it. The ideas were born in the work of Joseph-Louis Lagrange (1736–1813), and I begin by quot-.

'NASA Invention of the Year' Controls Noise and Vibration

Science.gov (United States)

2007-01-01

Developed at NASA's Langley Research Center, the Macro-Fiber Composite (MFC) is designed to control vibration, noise, and deflections in composite structural beams and panels. Smart Material Corporation specializes in the development of piezocomposite components, and licensed the MFC technology from Langley in 2002. To date, Smart Material Corporation has sold MFCs to over 120 customers, including such industry giants as Volkswagen, Toyota, Honda, BMW, General Electric, and the tennis company, HEAD. The company estimates that its customers have filed at least 100 patents for their various unique uses of the technology. In addition, the company's product portfolio has grown to include piezoceramic fibers and fiber composites, piezoceramic actuators and sensors, and test equipment for these products. It also offers a compact, lightweight power system for MFC testing and validation. Consumer applications already on the market include piezoelectric systems as part of audio speakers, phonograph cartridges and microphones, and recreational products requiring vibration control, such as skis, snowboards, baseball bats, hockey sticks, and tennis racquets.

Adaptive Technology Application for Vibration-Based Diagnostics of Roller Bearings on Industrial Plants

Directory of Open Access Journals (Sweden)

Mironov Aleksey

2014-09-01

Full Text Available Roller bearings are widely used in equipment of different applications; therefore, the issues related to the assessment of bearing technical state and localization of bearing faults are quite important and relevant. The reason is that technical state of a bearing is a critical component, which determines efficiency of a mechanism or equipment. For bearings inspection and diagnostics, various methods of vibration-based diagnostics are used. The adaptive technology for vibration-based diagnostics developed in „D un D centrs” is an effective tool for evaluation of technical state of bearings in operation compared to the existing SKF method.

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

Science.gov (United States)

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

2017-10-01

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

Active Vibration Control of a Railway Vehicle Carbody Using Piezoelectric Elements

Science.gov (United States)

Molatefi, Habibollah; Ayoubi, Pejman; Mozafari, Hozhabr

2017-07-01

In recent years and according to modern transportation development, rail vehicles are manufactured lighter to achieve higher speed and lower transportation costs. On the other hand, weight reduction of rail vehicles leads to increase the structural vibration. In this study, Active Vibration Control of a rail vehicle using piezoelectric elements is investigated. The optimal control employed as the control approach regard to the first two modes of vibration. A simplified Car body structure is modeled in Matlab using the finite element theory by considering six DOF beam element and then the Eigen functions and mode shapes are derived. The surface roughness of different classes of rail tracks have been obtained using random vibration theory and applied to the secondary suspension as the excitation of the structure; Then piezoelectric mounted where the greatest moments were captured. The effectiveness of Piezoelectric in structural vibrations attenuation of car body is demonstrated through the state space equations and its effect on modal coefficient.

Optimal Search Strategy of Robotic Assembly Based on Neural Vibration Learning

Directory of Open Access Journals (Sweden)

Lejla Banjanovic-Mehmedovic

2011-01-01

Full Text Available This paper presents implementation of optimal search strategy (OSS in verification of assembly process based on neural vibration learning. The application problem is the complex robot assembly of miniature parts in the example of mating the gears of one multistage planetary speed reducer. Assembly of tube over the planetary gears was noticed as the most difficult problem of overall assembly. The favourable influence of vibration and rotation movement on compensation of tolerance was also observed. With the proposed neural-network-based learning algorithm, it is possible to find extended scope of vibration state parameter. Using optimal search strategy based on minimal distance path between vibration parameter stage sets (amplitude and frequencies of robots gripe vibration and recovery parameter algorithm, we can improve the robot assembly behaviour, that is, allow the fastest possible way of mating. We have verified by using simulation programs that search strategy is suitable for the situation of unexpected events due to uncertainties.

Vibration test on KMRR reactor structure and primary cooling system piping

Energy Technology Data Exchange (ETDEWEB)

Chung, Seung Hoh; Kim, Tae Ryong; Park, Jin Hoh; Park, Jin Suk; Ryoo, Jung Soo [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

1994-10-01

Most equipments, piping systems and reactor structures in nuclear power plants are subjected to flow induced vibration due to high temperature and high pressure coolant flowing inside or outside of the equipments, systems and structures. Because the flow induced vibration sometimes causes significant damage to reactor structures and piping systems, it is important and necessary to evaluate the vibration effect on them and to prove their structural integrity. Korea Multipurpose Research Reactor (KMRR) being constructed by KAERI is 30 MWt pool type research reactor. Since its main structures and piping systems were designed and manufactured in accordance with the standards and guidelines for commercial nuclear power plant, it was decided to evaluate their vibratory response in accordance with the standards and guidelines for commercial NPP. The objective of this vibration test is the assessment of vibration levels of KMRR reactor structure and primary cooling piping system for their structural integrity under the steady-state or transient operating condition. 38 figs, 14 tabs, 2 refs. (Author).

Vibration test on KMRR reactor structure and primary cooling system piping

International Nuclear Information System (INIS)

Chung, Seung Hoh; Kim, Tae Ryong; Park, Jin Hoh; Park, Jin Suk; Ryoo, Jung Soo

1994-10-01

Most equipments, piping systems and reactor structures in nuclear power plants are subjected to flow induced vibration due to high temperature and high pressure coolant flowing inside or outside of the equipments, systems and structures. Because the flow induced vibration sometimes causes significant damage to reactor structures and piping systems, it is important and necessary to evaluate the vibration effect on them and to prove their structural integrity. Korea Multipurpose Research Reactor (KMRR) being constructed by KAERI is 30 MWt pool type research reactor. Since its main structures and piping systems were designed and manufactured in accordance with the standards and guidelines for commercial nuclear power plant, it was decided to evaluate their vibratory response in accordance with the standards and guidelines for commercial NPP. The objective of this vibration test is the assessment of vibration levels of KMRR reactor structure and primary cooling piping system for their structural integrity under the steady-state or transient operating condition. 38 figs, 14 tabs, 2 refs. (Author)

Handbook Of Noise And Vibration

International Nuclear Information System (INIS)

1995-12-01

This book is about noise and vibration. The first chapter has explanations of noise such as basic of sound, influence of noise, assessment of noise, measurement of prevention of noise and technology, case of noise measurement and soundproof. The second chapter describes vibration with outline, theory of vibration, interpretation of vibration, measurement for reduction of vibration, case of design of protection against vibration. It deals with related regulation and method of measurement.

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

Science.gov (United States)

Okabe, Seiji; Ishigaki, Yusuke; Omura, Takeshi

2018-04-01

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

Implementation of ternary Shor’s algorithm based on vibrational states of an ion in anharmonic potential

Science.gov (United States)

Liu, Wei; Chen, Shu-Ming; Zhang, Jian; Wu, Chun-Wang; Wu, Wei; Chen, Ping-Xing

2015-03-01

It is widely believed that Shor’s factoring algorithm provides a driving force to boost the quantum computing research. However, a serious obstacle to its binary implementation is the large number of quantum gates. Non-binary quantum computing is an efficient way to reduce the required number of elemental gates. Here, we propose optimization schemes for Shor’s algorithm implementation and take a ternary version for factorizing 21 as an example. The optimized factorization is achieved by a two-qutrit quantum circuit, which consists of only two single qutrit gates and one ternary controlled-NOT gate. This two-qutrit quantum circuit is then encoded into the nine lower vibrational states of an ion trapped in a weakly anharmonic potential. Optimal control theory (OCT) is employed to derive the manipulation electric field for transferring the encoded states. The ternary Shor’s algorithm can be implemented in one single step. Numerical simulation results show that the accuracy of the state transformations is about 0.9919. Project supported by the National Natural Science Foundation of China (Grant No. 61205108) and the High Performance Computing (HPC) Foundation of National University of Defense Technology, China.

Vibration suppression of composite laminated beams using distributed piezoelectric patches

International Nuclear Information System (INIS)

Foda, M A; Almajed, A A; ElMadany, M M

2010-01-01

The focus of this paper is to develop an analytical and straightforward approach to suppress the steady state transverse vibration of a symmetric cross-ply laminated composite beam that is excited by an external harmonic force. This is achieved by bonding patches of piezoelectric material at selected locations along the beam. The governing equations for the system are formulated and the dynamic Green's functions are used to obtain an exact solution for the problem. A scheme is proposed for determining the values of the driving voltages, the dimensions of the PZT patches and their locations along the beam, in order to confine the vibration in a certain chosen region where the vibration is not harmful and leave the other chosen region stationary or vibrating with very small amplitudes. Beams with different boundary conditions are considered. Numerical case studies are presented to verify the utility of the proposed scheme

Calculations on the vibrational level density in highly excited formaldehyde

International Nuclear Information System (INIS)

Rashev, Svetoslav; Moule, David C.

2003-01-01

The object of the present work is to develop a model that provides realistic estimates of the vibrational level density in polyatomic molecules in a given electronic state, at very high (chemically relevant) vibrational excitation energies. For S 0 formaldehyde (D 2 CO), acetylene, and a number of triatomics, the estimates using conventional spectroscopic formulas have yielded densities at the dissociation threshold, very much lower than the experimentally measured values. In the present work we have derived a general formula for the vibrational energy levels of a polyatomic molecule, which is a generalization of the conventional Dunham spectroscopic expansion. Calculations were performed on the vibrational level density in S 0 D 2 CO, H 2 C 2 , and NO 2 at excitation energies in the vicinity of the dissociation limit, using the newly derived formula. The results from the calculations are in reasonable agreement with the experimentally measured data

Spatial Distortion of Vibration Modes via Magnetic Correlation of Impurities

Science.gov (United States)

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

2018-03-01

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

Vibration Analysis of Beam and Block Precast Slab System due to Human Vibrations

Science.gov (United States)

Chik, T. N. T.; Kamil, M. R. H.; Yusoff, N. A.

2018-04-01

Beam and block precast slabs system are very efficient which generally give maximum structural performance where their voids based on the design of the unit soffit block allow a significant reduction of the whole slab self-weight. Initially for some combinations of components or the joint connection of the structural slab, this structural system may be susceptible to excessive vibrations that could effects the performance and also serviceability. Dynamic forces are excited from people walking and jumping which produced vibrations to the slab system in the buildings. Few studies concluded that human induced vibration on precast slabs system may be harmful to structural performance and mitigate the human comfort level. This study will investigate the vibration analysis of beam and block precast slab by using finite element method at the school building. Human activities which are excited from jumping and walking will induce the vibrations signal to the building. Laser Doppler Vibrometer (LDV) was used to measure the dynamic responses of slab towards the vibration sources. Five different points were assigned specifically where each of location will determine the behaviour of the entire slabs. The finite element analyses were developed in ABAQUS software and the data was further processed in MATLAB ModalV to assess the vibration criteria. The results indicated that the beam and block precast systems adequate enough to the vibration serviceability and human comfort criteria. The overall vibration level obtained was fell under VC-E curve which it is generally under the maximum permissible level of vibrations. The vibration level on the slab is acceptable within the limit that have been used by Gordon.

Vibration and noise analysis in nuclear power plants

International Nuclear Information System (INIS)

1974-12-01

Results of the investigations on noise and vibration analysis are presented as a follow-up study of the work published in ''On-load Surveillance of Nuclear Power Plant Components by Noise and Vibration Analysis'' EUR 5036 e. The state of the art in on-load surveillance techniques of light water reactors is given by extending the preceding studies to investigations of boiling water reactors and by summarizing the latest results of pressurized water reactors, the basis being experimental and theoretical work performed by the different organizations involved in preparing this report. Finally, some developments with respect to measurement and identification methods are discussed

Research on impacts of mechanical vibrations on the production machine to its rate of change of technical state

Directory of Open Access Journals (Sweden)

Štefánia Salokyová

2016-06-01

Full Text Available The article observes the amount of vibration on the bearing house of a turning lathe selected in advance through the change of the revolutions per minute and the thickness of the removed material in frontal type of lathe processing. Increase in mechanical vibration values depending on the value of nominal thickness of splinter was observed during changing technological parameters of the drilling process as a consequence of rotation speed of the motor. The vibration acceleration amplitude course changes depending on the frequencies are evaluated together for 400, 800 and 1200 motor r/min. A piezoelectric sensor of the type 4507B-004 from the Brüel & Kjaer Company was used for monitoring the frequency analysis of the vibration, which was attached to the bearing house of the lathe TOS SV 18RB. The vibration signal measured during the processing and during the time period is transformed through the means of a quick Fourier transformation to the frequency spectrum in the range of 3.0–10.0 kHz. Measured values of vibration acceleration amplitude were processed and evaluated by the SignalExpress software. Graphical abstract Unwanted vibration in machine tools like lathe is one of the main problems as it affects the quality of the machined parts and tool life and creates noise during machining operation. Bearings are of paramount importance to almost all forms of rotating machinery and are the most common among machine elements. The article describes in more detail the issue of vibrations created when machining the material by lathe turning. It also includes execution, experiment evaluation in this field, and comparison of measured vibrations’ acceleration amplitude values according to the standards.

Ship Vibrations

DEFF Research Database (Denmark)

Sørensen, Herman

1997-01-01

Methods for calculating natural frequencies for ship hulls and for plates and panels.Evaluation of the risk for inconvenient vibrations on board......Methods for calculating natural frequencies for ship hulls and for plates and panels.Evaluation of the risk for inconvenient vibrations on board...

Shape Transitional Nuclei: What can we learn from the Yrare States? or Hello the Double Vacuum; Goodbye β-vibrations!

International Nuclear Information System (INIS)

Sharpey-Schafer, J. F.; Mullins, S. M.; Bark, R. A.; Gueorguieva, E.; Kau, J.; Komati, F.; Lawrie, J. J.; Murray, S. H. T.; Ncapayi, N. J.; Maine, P.; Minkova, A.; Vymers, P.

2008-01-01

The results of our measurements on the yrare states up to spin 20(ℎ/2π) in 152,154,155 Gd, using (α,xn) reactions and the AFRODITE γ-ray spectrometer, are presented. We find that in 155 Gd the decay scheme is divided into levels feeding the [505]11/2 - band, that is extruded by the prolate deformation from the h 11/2 orbital, and levels feeding the i 13/2 [651]3/2 + intruder orbital and the h 9/2 [521]3/2 - orbital. The decay scheme of 154 Gd is very complex. We find no evidence for the existence of β-vibrational levels below 1.5 MeV. We discover that the level scheme can be best understood as a set of collective states built on the ground state configuration |0 1 + > plus a 'congruent' set of collective states based on the |0 2 + > state at 681 keV. The data suggest that this second vacuum has reduced pairing. Our data do not support IBA and phonon interpretations of these transitional nuclei

Shape Transitional Nuclei: What can we learn from the Yrare States? or Hello the Double Vacuum; Goodbye β-vibrations!

Science.gov (United States)

Sharpey-Schafer, J. F.; Mullins, S. M.; Bark, R. A.; Gueorguieva, E.; Kau, J.; Komati, F.; Lawrie, J. J.; Maine, P.; Minkova, A.; Murray, S. H. T.; Ncapayi, N. J.; Vymers, P.

2008-05-01

The results of our measurements on the yrare states up to spin 20ℏ in 152,154,155Gd, using (α,xn) reactions and the AFRODITE γ-ray spectrometer, are presented. We find that in 155Gd the decay scheme is divided into levels feeding the [505]11/2- band, that is extruded by the prolate deformation from the h11/2 orbital, and levels feeding the i13/2[651]3/2+ intruder orbital and the h9/2[521]3/2- orbital. The decay scheme of 154Gd is very complex. We find no evidence for the existence of β-vibrational levels below 1.5 MeV. We discover that the level scheme can be best understood as a set of collective states built on the ground state configuration |01+> plus a ``congruent'' set of collective states based on the |02+> state at 681 keV. The data suggest that this second vacuum has reduced pairing. Our data do not support IBA and phonon interpretations of these transitional nuclei.

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

International Nuclear Information System (INIS)

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

2012-01-01

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

Vibration monitoring of EDF rotating machinery using artificial neural networks

International Nuclear Information System (INIS)

Alguindigue, I.E.; Loskiewicz-Buczak, A.; Uhrig, R.E.; Hamon, L.; Lefevre, F.

1991-01-01

Vibration monitoring of components in nuclear power plants has been used for a number of years. This technique involves the analysis of vibration data coming from vital components of the plant to detect features which reflect the operational state of machinery. The analysis leads to the identification of potential failures and their causes, and makes it possible to perform efficient preventive maintenance. Earlydetection is important because it can decrease the probability of catastrophic failures, reduce forced outgage, maximize utilization of available assets, increase the life of the plant, and reduce maintenance costs. This paper documents our work on the design of a vibration monitoring methodology based on neural network technology. This technology provides an attractive complement to traditional vibration analysis because of the potential of neural networks to operate in real-time mode and to handle data which may be distorted or noisy. Our efforts have been concentrated on the analysis and classification of vibration signatures collected by Electricite de France (EDF). Two neural networks algorithms were used in our project: the Recirculation algorithm and the Backpropagation algorithm. Although this project is in the early stages of development it indicates that neural networks may provide a viable methodology for monitoring and diagnostics of vibrating components. Our results are very encouraging

Automatic acoustic and vibration monitoring system for nuclear power plants

International Nuclear Information System (INIS)

Tothmatyas, Istvan; Illenyi, Andras; Kiss, Jozsef; Komaromi, Tibor; Nagy, Istvan; Olchvary, Geza

1990-01-01

A diagnostic system for nuclear power plant monitoring is described. Acoustic and vibration diagnostics can be applied to monitor various reactor components and auxiliary equipment including primary circuit machinery, leak detection, integrity of reactor vessel, loose parts monitoring. A noise diagnostic system has been developed for the Paks Nuclear Power Plant, to supervise the vibration state of primary circuit machinery. An automatic data acquisition and processing system is described for digitalizing and analysing diagnostic signals. (R.P.) 3 figs

VIBRATION OF FRAME BUILDING STRUCTURES CAUSED BY UNDERGROUND TRAINS

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P. V. Аliavdin

2011-01-01

Full Text Available The paper contains investigations on element vibration of a real residential 9-storeyed reinforced-concrete frame building induced by train movement in the shallow subway. A design model for a problem on propagation of bending waves within the limits of the typical fragment of a skeleton is presented in the paper. The steady state vibrations of a column and reinforced-concrete slab induced by an excited force which is equivalent to the impact of the subway trains have been investigated in the paper. The problem has been solved numerically on the basis of the ANSYS FEA program. Numerical results have been compared with an approximate analytical solution and data on full-scale experiment. A prediction technique for vibration propagation in the designed buildings is offered in the paper. 

First-principles studies of PETN molecular crystal vibrational frequencies under high pressure

Science.gov (United States)

Perger, Warren; Zhao, Jijun

2005-07-01

The vibrational frequencies of the PETN molecular crystal were calculated using the first-principles CRYSTAL03 program which employs an all-electron LCAO approach and calculates analytic first derivatives of the total energy with respect to atomic displacements. Numerical second derivatives were used to enable calculation of the vibrational frequencies at ambient pressure and under various states of compression. Three different density functionals, B3LYP, PW91, and X3LYP were used to examine the effect of the exchange-correlation functional on the vibrational frequencies. The pressure-induced shift of the vibrational frequencies will be presented and compared with experiment. The average deviation with experimental results is shown to be on the order of 2-3%, depending on the functional used.

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

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Robert Koprowski

2018-01-01

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

Off-axis Modal Active Vibration Control Of Rotational Vibrations

NARCIS (Netherlands)

Babakhani, B.; de Vries, Theodorus J.A.; van Amerongen, J.

Collocated active vibration control is an effective and robustly stable way of adding damping to the performance limiting vibrations of a plant. Besides the physical parameters of the Active Damping Unit (ADU) containing the collocated actuator and sensor, its location with respect to the

Energy-Saving Vibration Impulse Coal Degradation at Finely Dispersed Coal-Water Slurry Preparation

Directory of Open Access Journals (Sweden)

Moiseev V.A.

2015-01-01

Full Text Available Theoretical and experimental research results of processes of finely dispersed coal-water slurry preparation for further generation of energetic gas in direct flow and vortex gas generator plants have been presented. It has been stated that frequency parameters of parabolic vibration impulse mill influence degradation degree. Pressure influence on coal parameters in grinding cavity has been proven. Experimental researches have proven efficiency of vibration impulse mill with unbalanced mass vibrator generator development. Conditions of development on intergranular walls of coal cracks have been defined.

Noise-Induced Hearing Loss in Relation With Vibration Disease and Exposure to Vibration Among Employees in Latvia

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Kristina Karganova

2016-05-01

Full Text Available Occupational noise-induced hearing loss (ONIHL is a form of sensorineural hearing loss that is caused by intensive and continuous exposure to noise. It is one of the most frequently encountered occupational diseases worldwide despite numerous available control measures. ONIHL is a preventable disease, however, once the damage to the inner ear structures has occurred no medical intervention can reverse it. Aim. The purpose of this study was to describe and analyse incidence of registered cases of ONIHL in relation to vibration disease and exposure to vibration among employees in Latvia between 2005 and 2014. Materials and methods. The data used in the study were acquired from the Latvian State Register of Patients with Occupational Diseases and afterwards analyzed with applicable statistical tests using both Excel and IBM SPSS programmes to compare epidemiological parameters between ONIHL, vibration disease (VD and exposure to vibration and to identify the association between them. Results. In total data were obtained about 2302 patients with 2562 cases of occupational ear, nose and throat (ENT diseases. Out of them ONIHL was registered in 1699 cases (819 cases were ONIHL in combination with VD. Most of the employees with ONIHL and ONIHL simultaneously with VD were males aged 55-64. There was found statistically significant association between ONIHL and VD (p<0.001; Cramer’s V=0.42; OR=32.08; 95% confidence interval (95% CI 19.62–52.45. Statistically significant association was encountered between ONIHL and exposure to vibration as well (p<0.001; Cramer’s V=0.46; OR=10.97; 95% CI: 8.63–13.96. Conclusion. In total ONIHL was the most prevalent occupational ENT disease followed by chronic laryngitis, chronic pharyngitis and allergic rhinitis. Statistically significant association was found between ONIHL and VD, and ONIHL and exposure to vibration. Study revealed that hearing quality of workers employed in manufacturing; transport, storage

Vibration in car repair work.

Science.gov (United States)

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 insensitive interferometry

Science.gov (United States)

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

2017-11-01

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

Nonlinear Vibration Signal Tracking of Large Offshore Bridge Stayed Cable Based on Particle Filter

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Ye Qingwei

2015-12-01

Full Text Available The stayed cables are key stress components of large offshore bridge. The fault detection of stayed cable is very important for safe of large offshore bridge. A particle filter model and algorithm of nonlinear vibration signal are used in this paper. Firstly, the particle filter model of stayed cable of large offshore bridge is created. Nonlinear dynamic model of the stayed-cable and beam coupling system is dispersed in temporal dimension by using the finite difference method. The discrete nonlinear vibration equations of any cable element are worked out. Secondly, a state equation of particle filter is fitted by least square algorithm from the discrete nonlinear vibration equations. So the particle filter algorithm can use the accurate state equations. Finally, the particle filter algorithm is used to filter the vibration signal of bridge stayed cable. According to the particle filter, the de-noised vibration signal can be tracked and be predicted for a short time accurately. Many experiments are done at some actual bridges. The simulation experiments and the actual experiments on the bridge stayed cables are all indicating that the particle filter algorithm in this paper has good performance and works stably.

Vibrational study and Natural Bond Orbital analysis of serotonin in monomer and dimer states by density functional theory

Science.gov (United States)

Borah, Mukunda Madhab; Devi, Th. Gomti

2018-06-01

The vibrational spectral analysis of Serotonin and its dimer were carried out using the Fourier Transform Infrared (FTIR) and Raman techniques. The equilibrium geometrical parameters, harmonic vibrational wavenumbers, Frontier orbitals, Mulliken atomic charges, Natural Bond orbitals, first order hyperpolarizability and some optimized energy parameters were computed by density functional theory with 6-31G(d,p) basis set. The detailed analysis of the vibrational spectra have been carried out by computing Potential Energy Distribution (PED, %) with the help of Vibrational Energy Distribution Analysis (VEDA) program. The second order delocalization energies E(2) confirms the occurrence of intramolecular Charge Transfer (ICT) within the molecule. The computed wavenumbers of Serotonin monomer and dimer were found in good agreement with the experimental Raman and IR values.

Active vibration control of smart hull structure using piezoelectric composite actuators

International Nuclear Information System (INIS)

Sohn, Jung Woo; Choi, Seung-Bok; Lee, Chul-Hee

2009-01-01

In this paper, active vibration control performance of the smart hull structure with macro-fiber composite (MFC) is evaluated. MFC is an advanced piezoelectric composite which has great flexibility and increased actuating performance compared to a monolithic piezoelectric ceramic patch. The governing equations of motion of the hull structure with MFC actuators are derived based on the classical Donnell–Mushtari shell theory. The actuating model for the interaction between hull structure and MFC is included in the governing equations. Subsequently, modal characteristics are investigated and compared with the results obtained from experiment. The governing equations of the vibration control system are then established and expressed in the state space form. A linear quadratic Gaussian (LQG) control algorithm is designed in order to effectively and actively control the imposed vibration. The controller is experimentally realized and vibration control performances are evaluated

Kinetics of highly vibrationally excited O2(X) molecules in inductively-coupled oxygen plasmas

Science.gov (United States)

Annušová, Adriana; Marinov, Daniil; Booth, Jean-Paul; Sirse, Nishant; Lino da Silva, Mário; Lopez, Bruno; Guerra, Vasco

2018-04-01

The high degree of vibrational excitation of O2 ground state molecules recently observed in inductively coupled plasma discharges is investigated experimentally in more detail and interpreted using a detailed self-consistent 0D global kinetic model for oxygen plasmas. Additional experimental results are presented and used to validate the model. The vibrational kinetics considers vibrational levels up to v = 41 and accounts for electron impact excitation and de-excitation (e-V), vibration-to-translation relaxation (V-T) in collisions with O2 molecules and O atoms, vibration-to-vibration energy exchanges (V-V), excitation of electronically excited states, dissociative electron attachment, and electron impact dissociation. Measurements were performed at pressures of 10–80 mTorr (1.33 and 10.67 Pa) and radio frequency (13.56 MHz) powers up to 500 W. The simulation results are compared with the absolute densities in each O2 vibrational level obtained by high sensitivity absorption spectroscopy measurements of the Schumann–Runge bands for O2(X, v = 4–18), O(3 P) atom density measurements by two-photon absorption laser induced fluorescence (TALIF) calibrated against Xe, and laser photodetachment measurements of the O‑ negative ions. The highly excited O2(X, v) distribution exhibits a shape similar to a Treanor-Gordiets distribution, but its origin lies in electron impact e-V collisions and not in V-V up-pumping, in contrast to what happens in all other molecular gases known to date. The relaxation of vibrational quanta is mainly due to V-T energy-transfer collisions with O atoms and to electron impact dissociation of vibrationally excited molecules, e+O2(X, v)→O(3P)+O(3P).

Vibrational and electronic collisional-radiative model in air for Earth entry problems

Energy Technology Data Exchange (ETDEWEB)

Annaloro, Julien, E-mail: Julien.Annaloro@cnes.fr [CNES, 18 Avenue Edouard Belin, 31401 Toulouse Cedex 9 (France); CORIA - UMR 6614, Normandie Université, CNRS - Université et INSA de Rouen, Campus Universitaire du Madrillet, 76800 Saint-Etienne du Rouvray Cedex (France); Bultel, Arnaud, E-mail: Arnaud.Bultel@coria.fr [CORIA - UMR 6614, Normandie Université, CNRS - Université et INSA de Rouen, Campus Universitaire du Madrillet, 76800 Saint-Etienne du Rouvray Cedex (France)

2014-12-15

The two-temperature collisional-radiative model CoRaM-AIR, working over a wide range for pressure and temperatures, has been developed for the flow conditions around a space vehicle entering the Earth's atmosphere. The species N{sub 2}, O{sub 2}, NO, N, O, Ar, N{sub 2}{sup +}, O{sub 2}{sup +}, NO{sup +}, N{sup +}, O{sup +}, Ar{sup +}, and free electrons are taken into account. The model is vibrationally specific on the ground electronic state of N{sub 2}, O{sub 2}, and NO, and electronically specific for all species, with a total of 169 vibrational states and 829 electronic states, respectively. A wide set of elementary processes is considered under electron and heavy particle impact given the temperatures involved (up to 30 000 K). This set corresponds to almost 700 000 forward and backward elementary processes. The relaxation from initial thermal or chemical nonequilibrium is studied for dissociation-ionization situations in conditions related to the FIRE II flight experiment. Boltzmann plots clearly prove that the vibrational and electronic excitation distributions are far from being Boltzmanian. In particular, high-lying vibrational levels remain underpopulated for most of the duration of the relaxation. This relaxation can be separated in a first phase characterized by the dissociation and the excitation of the molecular species, and a second phase leading to the excitation and the ionization of the dissociation products. Owing to the vibrational relaxation, the time scales are slightly higher than the ones predicted by former kinetic mechanisms usually used in flow simulations. In the present FIRE II conditions, radiation does not play a significant role.

Adaptive super twisting vibration control of a flexible spacecraft with state rate estimation

Science.gov (United States)

Malekzadeh, Maryam; Karimpour, Hossein

2018-05-01

The robust attitude and vibration control of a flexible spacecraft trying to perform accurate maneuvers in spite of various sources of uncertainty is addressed here. Difficulties for achieving precise and stable pointing arise from noisy onboard sensors, parameters indeterminacy, outer disturbances as well as un-modeled or hidden dynamics interactions. Based on high-order sliding-mode methods, the non-minimum phase nature of the problem is dealt with through output redefinition. An adaptive super-twisting algorithm (ASTA) is incorporated with its observer counterpart on the system under consideration to get reliable attitude and vibration control in the presence of sensor noise and momentum coupling. The closed-loop efficiency is verified through simulations under various indeterminate situations and got compared to other methods.

Quantum localization and protein-assisted vibrational energy flow in cofactors

International Nuclear Information System (INIS)

Leitner, David M

2010-01-01

Quantum effects influence vibrational dynamics and energy flow in biomolecules, which play a central role in biomolecule function, including control of reaction kinetics. Lifetimes of many vibrational modes of proteins and their temperature dependence, as determined by quantum golden-rule-based calculations, exhibit trends consistent with experimental observation and distinct from estimates based on classical modeling. Particularly notable are quantum coherence effects that give rise to localization of vibrational states of sizable organic molecules in the gas phase. Even when such a molecule, for instance a cofactor, is embedded in a protein, remnants of quantum localization survive that influence vibrational energy flow and its dependence on temperature. We discuss these effects on the mode-damping rates of a cofactor embedded in a protein, using the green fluorescent protein chromophore as a specific example. We find that for cofactors of this size embedded in their protein and solvent environment at room temperature a golden-rule calculation often overestimates the mode-damping rate.

Theoretical and Experimental Study on Vibration Propagation in PMMA Components in Ultrasonic Bonding Process

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Yibo Sun

2017-03-01

Full Text Available Ultrasonic bonding has an increasing application in the micro assembly of polymeric micro-electro mechanical systems (MEMS with high requirements for fusion precision. In the ultrasonic bonding process, the propagation of ultrasonic vibration in polymer components is related to the interfacial fusion, which can be used as a monitoring parameter to control ultrasonic energy. To study the vibration propagation in viscoelastic polymer components, finite element analysis on the bonding of poly methyl methacrylate (PMMA micro connector to substrate for microfluidic system is carried out. Curves of propagated vibration amplitude corresponding to interfacial temperatures are obtained. The ultrasonic vibration propagated in PMMA components are measured through experiments. The theoretical and experimental results are contrasted to analyze the change mechanism of vibration propagation related to temperature. Based on the ultrasonic bonding process controlled by the feedback of vibration propagation, interfacial fusions at different vibration propagation states are obtained through experiments. Interfacial fusion behavior is contrasted to the propagated vibration amplitude in theoretical and experimental studies. The relation between vibration propagation and fusion degree is established with the proper parameter range for the obtained high quality bonding.

Energetics and Vibrational Analysis of Methyl Salicylate Isomers

Science.gov (United States)

Massaro, Richard D.; Dai, Yafei; Blaisten-Barojas, Estela

2009-08-01

Energetics and vibrational analysis study of six isomers of methyl salicylate in their singlet ground state and first excited triple state is put forward in this work at the density functional theory level and large basis sets. The ketoB isomer is the lowest energy isomer, followed by its rotamer ketoA. For both ketoB and ketoA their enolized tautomers are found to be stable as well as their open forms that lack the internal hydrogen bond. The calculated vibrational spectra are in excellent agreement with IR experiments of methyl salicylate in the vapor phase. It is demonstrated that solvent effects have a weak influence on the stability of these isomers. The ionization reaction from ketoB to ketoA shows a high barrier of 0.67 eV ensuring that thermal and chemical equilibria yield systems containing mostly the ketoB isomer at normal conditions.

Adaptive Model Predictive Vibration Control of a Cantilever Beam with Real-Time Parameter Estimation

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Gergely Takács

2014-01-01

Full Text Available This paper presents an adaptive-predictive vibration control system using extended Kalman filtering for the joint estimation of system states and model parameters. A fixed-free cantilever beam equipped with piezoceramic actuators serves as a test platform to validate the proposed control strategy. Deflection readings taken at the end of the beam have been used to reconstruct the position and velocity information for a second-order state-space model. In addition to the states, the dynamic system has been augmented by the unknown model parameters: stiffness, damping constant, and a voltage/force conversion constant, characterizing the actuating effect of the piezoceramic transducers. The states and parameters of this augmented system have been estimated in real time, using the hybrid extended Kalman filter. The estimated model parameters have been applied to define the continuous state-space model of the vibrating system, which in turn is discretized for the predictive controller. The model predictive control algorithm generates state predictions and dual-mode quadratic cost prediction matrices based on the updated discrete state-space models. The resulting cost function is then minimized using quadratic programming to find the sequence of optimal but constrained control inputs. The proposed active vibration control system is implemented and evaluated experimentally to investigate the viability of the control method.

Vibrational energy relaxation: proposed pathway of fast local chromatin denaturation

International Nuclear Information System (INIS)

Harder, D.; Greinert, R.

2002-01-01

The molecular mechanism responsible for the a component of exchange-type chromosome aberrations, of chromosome fragmentation and of reproductive cell death is one of the unsolved issues of radiation biology. Under review is whether vibrational energy relaxation in the constitutive biopolymers of chromatin, induced by inelastic energy deposition events and mediated via highly excited vibrational states, may provide a pathway of fast local chromatin denaturation, thereby producing the severe DNA lesion able to interact chemically with other, non-damaged chromatin. (author)

Femtosecond time-resolved studies of coherent vibrational Raman scattering in large gas-phase molecules

International Nuclear Information System (INIS)

Hayden, C.C.; Chandler, D.W.

1995-01-01

Results are presented from femtosecond time-resolved coherent Raman experiments in which we excite and monitor vibrational coherence in gas-phase samples of benzene and 1,3,5-hexatriene. Different physical mechanisms for coherence decay are seen in these two molecules. In benzene, where the Raman polarizability is largely isotropic, the Q branch of the vibrational Raman spectrum is the primary feature excited. Molecules in different rotational states have different Q-branch transition frequencies due to vibration--rotation interaction. Thus, the macroscopic polarization that is observed in these experiments decays because it has many frequency components from molecules in different rotational states, and these frequency components go out of phase with each other. In 1,3,5-hexatriene, the Raman excitation produces molecules in a coherent superposition of rotational states, through (O, P, R, and S branch) transitions that are strong due to the large anisotropy of the Raman polarizability. The coherent superposition of rotational states corresponds to initially spatially oriented, vibrationally excited, molecules that are freely rotating. The rotation of molecules away from the initial orientation is primarily responsible for the coherence decay in this case. These experiments produce large (∼10% efficiency) Raman shifted signals with modest excitation pulse energies (10 μJ) demonstrating the feasibility of this approach for a variety of gas phase studies. copyright 1995 American Institute of Physics

Bandshapes in vibrational spectroscopy

International Nuclear Information System (INIS)

Dijkman, F.G.

1978-01-01

A detailed account is given of the development of modern bandshape theories since 1965. An investigation into the relative contributions of statistical irreversible relaxation processes is described, for a series of molecules in which gradually the length of one molecular axis is increased. An investigation into the theoretical and experimental investigation of the broadening brought about by the effect of fluctuating intermolecular potentials on the vibrational frequency is also described. The effect of an intermolecular perturbative potential on anharmonic and Morse oscillators is discussed and the results are presented of a computation on the broadening of the vibrational band of some diatomic molecules in a rigid lattice type solvent. The broadening of the OH-stretching vibration in a number of aliphatic alcohols, the vibrational bandshapes of the acetylenic C-H stretching vibration and of the symmetric methyl stretching vibration are investigated. (Auth./ C.F.)

Electric dipole moment function of the X1 Sigma/+/ state of CO - Vibration-rotation matrix elements for transitions of gas laser and astrophysical interest

Science.gov (United States)

Chackerian, C., Jr.

1976-01-01

The electric dipole moment function of the ground electronic state of carbon monoxide has been determined by combining numerical solutions of the radial Schrodinger equation with absolute intensity data of vibration-rotation bands. The derived dipole moment function is used to calculate matrix elements of interest to stellar astronomy and of importance in the carbon monoxide laser.

Experimental and Theoretical Vibrational Spectra of Sideridiol Isolated from Sideritis Species

Science.gov (United States)

Kilic, Turgut; Sagir, Züleyha Ozer; Carikci, Sema; Azizoğlu, Akın

2017-12-01

Sideridiol ( ent-7α,18β-dihydroxykaur-15-ene) one of the ent-kaurene diterpenoid, is isolated from the genus Sideritis L. belongs to the family of Lamiaceae. The vibrational frequencies of sideridiol in the ground state have been calculated using the Density Functional Theory (DFT) method with the 6-31G( d) and 6 31+G( d, p) basis sets. The calculated vibrational frequencies have been compared with that of obtained experimental IR spectrum.

Self-excited vibration control for axially fast excited beam by a time delay state feedback

International Nuclear Information System (INIS)

Hamdi, Mustapha; Belhaq, Mohamed

2009-01-01

This work examines the control of self-excited vibration of a simply-supported beam subjected to an axially high-frequency excitation. The investigation of the resonant cases are not considered in this paper. The control is implemented via a corrective position feedback with time delay. The objective of this control is to eliminate the undesirable self-excited vibrations with an appropriate choice of parameters. The issue of stability is also addressed in this paper. Using the technique of direct partition of motion, the dynamic of discretized equations is separated into slow and fast components. The multiple scales method is then performed on the slow dynamic to obtain a slow flow for the amplitude and phase. Analysis of this slow flow provides analytical approximations locating regions in parameters space where undesirable self-excited vibration can be eliminated. A numerical study of these regions is performed on the original discretized system and compared to the analytical prediction showing a good agreement.

Narrow bandwidth detection of vibration signature using fiber lasers

Science.gov (United States)

Moore, Sean; Soh, Daniel B.S.

2018-05-08

The various technologies presented herein relate to extracting a portion of each pulse in a series of pulses reflected from a target to facilitate determination of a Doppler-shifted frequency for each pulse and, subsequently, a vibration frequency for the series of pulses. Each pulse can have a square-wave configuration, whereby each pulse can be time-gated to facilitate discarding the leading edge and the trailing edge (and associated non-linear effects) of each pulse and accordingly, capture of the central portion of the pulse from which the Doppler-shifted frequency, and ultimately, the vibration frequency of the target can be determined. Determination of the vibration velocity facilitates identification of the target being in a state of motion. The plurality of pulses can be formed from a laser beam (e.g., a continuous wave), the laser beam having a narrow bandwidth.

Population of vibrational levels of carbon dioxide by cylindrical fast ionization wave

KAUST Repository

Levko, Dmitry

2017-09-08

The population of vibrational levels of carbon dioxide (CO2) by a cylindrical fast ionization wave is analyzed using a one-dimensional Particle-in-Cell Monte Carlo collisions model. The model takes into account the inelastic electron-neutral collisions as well as the super-elastic collisions between electrons and excited species. We observe an efficient population of only the first two levels of the symmetric and asymmetric vibrational modes of CO2 by means of a fast ionization wave. The excitation of other higher vibrational modes by the fast ionization wave is inefficient. Additionally, we observe a strong influence of the secondary electron emission on the population of vibrational states of CO2. This effect is associated with the kinetics of high energy electrons generated in the cathode sheath.

Vibrational dynamics of amorphous metals by inelastic neutron and raman scattering

International Nuclear Information System (INIS)

Lustig, N.E.

1986-01-01

Time-of-flight inelastic neutron scattering and Raman measurements were performed on amorphous (a-) metals. The neutron-weighted vibrational density of states, G(E), obtained for a-Fe 78 P 22 , a-Ni 82 B 18 and a-Ni 67 B 33 transition metal metalloid alloys (TM-m), indicated two major vibrational bands: a low frequency acoustic-like band and a high frequency optic-like band, derived from TM-TM and TM-m interactions, respectively. Similar neutron measurements were performed on the corresponding polycrystalline (c-) alloys, c-Fe 3 P and c-Ni 2 B. A comparison of the amorphous and crystalline densities of states indicates the elimination of sharp features and the addition of vibrational states at low and high frequencies upon amorphization. The experimental G(E) results for a-Fe 78 P 22 are in good agreement with the theoretically predicted spectrum. A comparison between the a-Ni 67 B 33 and the phenomenologically broadened c-Ni 2 B spectrum indicates a change in the short-range order. This finding is consistent with structural measurements on this alloy. Raman measurements were carried out using interference enhanced Raman spectroscopy (IERS) on thin film Ni-B alloys. The measured spectra provide information about the weighted phonon density of states, and is in good agreement with the neutron results

HBr Formation from the Reaction between Gas-phase Bromine Atom and Vibrationally Excited Chemisorbed Hydrogen Atoms on a Si(001)-(2 x 1) Surface

International Nuclear Information System (INIS)

Ree, J.; Yoon, S. H.; Park, K. G.; Kim, Y. H.

2004-01-01

We have calculated the probability of HBr formation and energy disposal of the reaction exothermicity in HBr produced from the reaction of gas-phase bromine with highly covered chemisorbed hydrogen atoms on a Si (001)-(2 x 1) surface. The reaction probability is about 0.20 at gas temperature 1500 K and surface temperature 300 K. Raising the initial vibrational state of the adsorbate(H)-surface(Si) bond from the ground to v = 1, 2 and 3 states causes the vibrational, translational and rotational energies of the product HBr to increase equally. However, the vibrational and translational motions of product HBr share most of the reaction energy. Vibrational population of the HBr molecules produced from the ground state adsorbate-surface bond (vHSi = 0) follows the Boltzmann distribution, but it deviates seriously from the Boltzmann distribution when the initial vibrational energy of the adsorbate-surface bond increases. When the vibration of the adsorbate-surface bond is in the ground state, the amount of energy dissipated into the surface is negative, while it becomes positive as vHSi increases. The energy distributions among the various modes weakly depends on surface temperature in the range of 0-600 K, regardless of the initial vibrational state of H(ad)-Si(s) bond

Coupled quantum treatment of vibrationally inelastic and vibronic charge transfer in proton-O2 collisions

International Nuclear Information System (INIS)

Gianturco, F.A.; Palma, A.; Semprini, E.; Stefani, F.; Baer, M.

1990-01-01

A three-dimensional quantum-mechanical study of vibrational, state-resolved differential cross sections (DCS) for the direct inelastic and for the charge-transfer scattering channels has been carried out for the H + +O 2 system. The collision energy considered was E c.m. =23.0 eV, which is the same as that examined by Noll and Toennies in their experiments [J. Chem. Phys. 85, 3313 (1986)]. The scattering treatment employed was the charge-transfer infinite-order sudden approximation (CT IOSA) with the vibrational states correctly expanded over the relevant adiabatic basis for each of the two electronic channels. The state-to-state DCS are found to follow closely the behavior of the experimental quantities, both in the inelastic and the charge-transfer channels. Moreover, a careful comparison between the measured relative probabilities and computed values allows us to test in minute detail the efficiency of the scattering model and the reliability of the potential-energy surfaces employed. It is found that vibrational energy transfer is overestimated in the vibrational inelastic channels while in the charge-transfer inelastic channels the same energy transfer is slightly underestimated by the calculations. The total flux distribution, however, is found to be in very good accord with experiments. Angular distributions are also well reproduced both by the DCS and by the average energy-transfer values. The study of some of the CT IOSA quantities also allows us to establish clearly the importance of nonadiabatic transitions in enhancing vibrational inelasticity in the present system

Experimental study of acoustic vibration in BWRs

International Nuclear Information System (INIS)

Kumagai, Kosuke; Someya, Satoshi; Okamoto, Koji

2009-01-01

In recent years, the power uprate of Boiling Water Reactors have been conducted at several existing power plants as a way to improve plant economy. In one of the power uprated plants (117.8% uprates) in the United States, the steam dryer breakages due to fatigue fracture occurred. It is conceivable that the increased steam flow passing through the branches caused a self-induced vibration with the propagation of sound wave into the steam-dome. The resonance among the structure, flow and the pressure fluctuation resulted in the breakages. To understand the basic mechanism of the resonance, previous researches were done by a point measurement of the pressure and by a phase averaged measurement of the flow, while it was difficult to detect the interaction among them by the conventional method. In this study, Dynamic Particle Image Velocimetry (PIV) System was applied to investigate the effect of sound on natural convection and forced convection. Dynamic PIV system is the newest entrant to the field of fluid flow measurement. Its paramount advantage is the instantaneous global evaluation of conditions over plane extended across the whole velocity field. Also, to evaluate the coupling between the acoustic wave and structure (simulated as tuning fork vibrator in this experiment), in the resonance frequency of tuning fork vibrator, fluid behavior and the motion of tuning fork vibrator are measured simultaneously. (author)

Nonlinear Response of Vibrational Conveyers with Nonideal Vibration Exciter: Superharmonic and Subharmonic Resonance

Directory of Open Access Journals (Sweden)

H. Bayıroğlu

2012-01-01

Full Text Available Vibrational conveyers with a centrifugal vibration exciter transmit their load based on the jumping method. Common unbalanced-mass driver oscillates the trough. The motion is strictly related to the vibrational parameters. The transition over resonance of a vibratory system, excited by rotating unbalances, is important in terms of the maximum vibrational amplitude produced and the power demand on the drive for the crossover. The mechanical system is driven by the DC motor. In this study, the working ranges of oscillating shaking conveyers with nonideal vibration exciter have been analyzed analytically for superharmonic and subharmonic resonances by the method of multiple scales and numerically. The analytical results obtained in this study agree well with the numerical results.

A review of the recent research on vibration energy harvesting via bistable systems

International Nuclear Information System (INIS)

Harne, R L; Wang, K W

2013-01-01

The investigation of the conversion of vibrational energy into electrical power has become a major field of research. In recent years, bistable energy harvesting devices have attracted significant attention due to some of their unique features. Through a snap-through action, bistable systems transition from one stable state to the other, which could cause large amplitude motion and dramatically increase power generation. Due to their nonlinear characteristics, such devices may be effective across a broad-frequency bandwidth. Consequently, a rapid engagement of research has been undertaken to understand bistable electromechanical dynamics and to utilize the insight for the development of improved designs. This paper reviews, consolidates, and reports on the major efforts and findings documented in the literature. A common analytical framework for bistable electromechanical dynamics is presented, the principal results are provided, the wide variety of bistable energy harvesters are described, and some remaining challenges and proposed solutions are summarized. (topical review)

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

International Nuclear Information System (INIS)

Allan, Michael

2002-01-01

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

Coherent lattice vibrations in superconductors

International Nuclear Information System (INIS)

Kadin, Alan M.

2008-01-01

A recent analysis has shown that the pair wavefunction within the BCS theory may be represented in real-space as a spherical electronic orbital (on the scale of the coherence length ξ 0 ) coupled to a standing-wave lattice vibration with wavevector 2k F and a near-resonant phonon frequency. The present paper extends this picture to a coherent pattern of phonon standing-waves on the macroscopic scale, with electrons forming Bloch waves and an energy gap much like those in the classic band theory of crystals. These parallel planes form a diffractive waveguide permitting electron waves to traveling parallel to the planes, corresponding to lossless supercurrent. A similar picture may be extended to unconventional superconductors such as the cuprates, with an array of standing spin waves rather than phonons. Such coherent lattice vibrations should be universal indicators of the superconducting state, and should be observable below T c using X-ray and neutron diffraction techniques. Further implications of this picture are discussed

Sampled-data-based vibration control for structural systems with finite-time state constraint and sensor outage.

Science.gov (United States)

Weng, Falu; Liu, Mingxin; Mao, Weijie; Ding, Yuanchun; Liu, Feifei

2018-05-10

The problem of sampled-data-based vibration control for structural systems with finite-time state constraint and sensor outage is investigated in this paper. The objective of designing controllers is to guarantee the stability and anti-disturbance performance of the closed-loop systems while some sensor outages happen. Firstly, based on matrix transformation, the state-space model of structural systems with sensor outages and uncertainties appearing in the mass, damping and stiffness matrices is established. Secondly, by considering most of those earthquakes or strong winds happen in a very short time, and it is often the peak values make the structures damaged, the finite-time stability analysis method is introduced to constrain the state responses in a given time interval, and the H-infinity stability is adopted in the controller design to make sure that the closed-loop system has a prescribed level of disturbance attenuation performance during the whole control process. Furthermore, all stabilization conditions are expressed in the forms of linear matrix inequalities (LMIs), whose feasibility can be easily checked by using the LMI Toolbox. Finally, numerical examples are given to demonstrate the effectiveness of the proposed theorems. Copyright © 2018 ISA. Published by Elsevier Ltd. All rights reserved.

Modeling study of vibrational photochemical isotope enrichment. [HBr + Cl/sub 2/; HCl + Br/sub 2/

Energy Technology Data Exchange (ETDEWEB)

Badcock, C.C.; Hwang, W.C.; Kalsch, J.F.

1978-09-29

Chemical kinetic modeling studies of vibrational-photochemical isotope enrichment have been performed on two systems: Model (I), H/sup 79/Br(H/sup 81/Br) + Cl/sub 2/ and, Model (II), H/sup 37/Cl(H/sup 35/Cl) + Br. Pulsed laser excitation was modeled to the first excited vibrational level of H/sup 79/Br in Model I and the first and second excited vibrational levels of both HCl isotopes in Model II. These are prototype systems of exoergic (Model I) and endoergic (Model II) reactions. The effects on enrichment of varying the external parameters (pressure, laser intensity) and the internal parameters (rate constants for V-V exchange and excited-state reactions) were examined. Studies of these prototype systems indicate that a favorable reaction for enrichment, with isotopically-specific excitation and a significantly accelerated vibrationally-excited-state reaction should have the following properties: the reaction from v = 0 should be only moderately exoergic, and the most favorable coreactant should be a polyatomic species, such as alkyl radical. Direct excitation of the reacting vibrational level is at least an order of magnitude more favorable for enrichment than is population by energy transfer. Enrichment of the minor isotope by these processes is more effective than is major isotope enrichment. Within limits, increased laser intensity is beneficial. However, for sequential excitation of a second vibrational level, major isotope enrichment can be diminished by high populations of the first vibrational level.

Vibration Sensor Monitoring of Nickel-Titanium Alloy Turning for Machinability Evaluation

Directory of Open Access Journals (Sweden)

Tiziana Segreto

2017-12-01

Full Text Available Nickel-Titanium (Ni-Ti alloys are very difficult-to-machine materials causing notable manufacturing problems due to their unique mechanical properties, including superelasticity, high ductility, and severe strain-hardening. In this framework, the aim of this paper is to assess the machinability of Ni-Ti alloys with reference to turning processes in order to realize a reliable and robust in-process identification of machinability conditions. An on-line sensor monitoring procedure based on the acquisition of vibration signals was implemented during the experimental turning tests. The detected vibration sensorial data were processed through an advanced signal processing method in time-frequency domain based on wavelet packet transform (WPT. The extracted sensorial features were used to construct WPT pattern feature vectors to send as input to suitably configured neural networks (NNs for cognitive pattern recognition in order to evaluate the correlation between input sensorial information and output machinability conditions.

Vibration Sensor Monitoring of Nickel-Titanium Alloy Turning for Machinability Evaluation.

Science.gov (United States)

Segreto, Tiziana; Caggiano, Alessandra; Karam, Sara; Teti, Roberto

2017-12-12

Nickel-Titanium (Ni-Ti) alloys are very difficult-to-machine materials causing notable manufacturing problems due to their unique mechanical properties, including superelasticity, high ductility, and severe strain-hardening. In this framework, the aim of this paper is to assess the machinability of Ni-Ti alloys with reference to turning processes in order to realize a reliable and robust in-process identification of machinability conditions. An on-line sensor monitoring procedure based on the acquisition of vibration signals was implemented during the experimental turning tests. The detected vibration sensorial data were processed through an advanced signal processing method in time-frequency domain based on wavelet packet transform (WPT). The extracted sensorial features were used to construct WPT pattern feature vectors to send as input to suitably configured neural networks (NNs) for cognitive pattern recognition in order to evaluate the correlation between input sensorial information and output machinability conditions.

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

Directory of Open Access Journals (Sweden)

Mohammad Rastgaar

2009-01-01

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

A periodic piezoelectric smart structure with the integrated passive/active vibration-reduction performances

Science.gov (United States)

Wang, Yuxi; Niu, Shengkai; Hu, Yuantai

2017-06-01

The paper proposes a new piezoelectric smart structure with the integrated passive/active vibration-reduction performances, which is made of a series of periodic structural units. Every structural unit is made of two layers, one is an array of piezoelectric bimorphs (PBs) and one is an array of metal beams (MBs), both are connected as a whole by a metal plate. Analyses show that such a periodic smart structure possesses two aspects of vibration-reduction performance: one comes from its phonon crystal characteristics which can isolate those vibrations with the driving frequency inside the band gap(s). The other one comes from the electromechanical conversion of bent PBs, which is actively aimed at those vibrations with the driving frequency outside the band gap(s). By adjusting external inductance, the equivalent circuit of the proposed structure can be forced into parallel resonance such that most of the vibration energy is converted into electrical energy for dissipation by a resistance. Thus, an external circuit under the parallel resonance state is equivalent to a strong damping to the interrelated vibrating structure, which is just the action mechanism of the active vibration reduction performance of the proposed smart structure.

Demonstration of a Speckle Based Sensing with Pulse-Doppler Radar for Vibration Detection.

Science.gov (United States)

Ozana, Nisan; Bauer, Reuven; Ashkenazy, Koby; Sasson, Nissim; Schwarz, Ariel; Shemer, Amir; Zalevsky, Zeev

2018-05-03

In previous works, an optical technique for extraction and separation of remote static vibrations has been demonstrated. In this paper, we will describe an approach in which RF speckle movement is used to extract remote vibrations of a static target. The use of conventional radar Doppler methods is not suitable for detecting vibrations of static targets. In addition, the speckle method has an important advantage, in that it is able to detect vibrations at far greater distances than what is normally detected in classical optical methods. The experiment described in this paper was done using a motorized vehicle, which engine was turned on and off. The results showed that the system was able to distinguish between the different engine states, and in addition, was able to determine the vibration frequency of the engine. The first step towards real time detection of human vital signs using RF speckle patterns is presented.

Vibrational effects on surface energies and band gaps in hexagonal and cubic ice

International Nuclear Information System (INIS)

Engel, Edgar A.; Needs, Richard J.; Monserrat, Bartomeu

2016-01-01

Surface energies of hexagonal and cubic water ice are calculated using first-principles quantum mechanical methods, including an accurate description of anharmonic nuclear vibrations. We consider two proton-orderings of the hexagonal and cubic ice basal surfaces and three proton-orderings of hexagonal ice prism surfaces, finding that vibrations reduce the surface energies by more than 10%. We compare our vibrational densities of states to recent sum frequency generation absorption measurements and identify surface proton-orderings of experimental ice samples and the origins of characteristic absorption peaks. We also calculate zero point quantum vibrational corrections to the surface electronic band gaps, which range from −1.2 eV for the cubic ice basal surface up to −1.4 eV for the hexagonal ice prism surface. The vibrational corrections to the surface band gaps are up to 12% smaller than for bulk ice.

Vibrational Averaging of the Isotropic Hyperfine Coupling Constants for the Methyl Radical

Science.gov (United States)

Adam, Ahmad; Jensen, Per; Yachmenev, Andrey; Yurchenko, Sergei N.

2014-06-01

Electronic contributions to molecular properties are often considered as the major factor and usually reported in the literature without ro-vibrational corrections. However, there are many cases where the nuclear motion contributions are significant and even larger than the electronic contribution. In order to obtain accurate theoretical predictions, nuclear motion effects on molecular properties need to be taken into account. The computed isotropic hyperfine coupling constants for the nonvibrating methyl radical CH_3 are far from the experimental values. For CH_3, we have calculated the vibrational-state-dependence of the isotropic hyperfine coupling constant in the electronic ground state. The vibrational wavefunctions used in the averaging procedure were obtained variationally with the TROVE program. Analytical representations for the potential energy surfaces and the hyperfine coupling constant surfaces are obtained in least-squares fitting procedures. Thermal averaging has been carried out for molecules in thermal equilibrium, i.e., with Boltzmann-distributed populations. The calculation methods and the results will be discussed in detail.

Na2 Vibrating in the Double-Well Potential of State 2 1Σu+ (JM = 00): A Pulsating "Quantum Bubble" with Antagonistic Electronic Flux.

Science.gov (United States)

Diestler, D J; Jia, D; Manz, J; Yang, Y

2018-03-01

The theory of concerted electronic and nuclear flux densities associated with the vibration and dissociation of a multielectron nonrotating homonuclear diatomic molecule (or ion) in an electronic state 2S+1 Σ g,u + (JM = 00) is presented. The electronic population density, nuclear probability density, and nuclear flux density are isotropic. A theorem of Barth , presented in this issue, shows that the electronic flux density (EFD) is also isotropic. Hence, the evolving system appears as a pulsating, or exploding, "quantum bubble". Application of the theory to Na 2 vibrating in the double-minimum potential of the 2   1 Σ u + (JM = 00) excited state reveals that the EFD consists of two antagonistic components. One arises from electrons that flow essentially coherently with the nuclei. The other, which is oppositely directed (i.e., antagonistic) and more intense, is due to the transition in electronic structure from "Rydberg" to "ionic" type as the nuclei traverse the potential barrier between inner and outer potential wells. This "transition" component of the EFD rises and falls sharply as the nuclei cross the barrier.

Role of initial vibrational and rotational

Indian Academy of Sciences (India)

To investigate the effects of reagent vibrational and rotational states on the stereodynamical pro- ... Han et al.8 reported the total reaction cross-section, the ... ity k is contained in the xz plane, while the y-axis ...... Han B R, Yang H, Zheng Y J and Varandas A J C 2010 ... Zhang L, Chen M D, Wang M L and Han K L 2000 J.

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

Science.gov (United States)

Woo, Peak

2017-05-01

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

Vibrational zero point energy for H-doped silicon

Science.gov (United States)

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.

Production of a Beam of Highly Vibrationally Excited CO Using Perturbations

Science.gov (United States)

Bartels, N.; Schäfer, T.; Hühnert, J.; Wodtke, A. M.; Field, R. W.

2012-06-01

For many experimentalists (especially those, who are not spectroscopists), molecular pertubations are a curse, as they make assignments and analysis of spectral data more difficult. Nevertheless, they can also be a boon! In this talk we will show how a molecular beam of CO in high vibrational states (v=17,18) can be prepared by an optical pumping scheme that we call PUMP-PUMP-PERTURB and DUMP (P^3D). P^3D exploits the loaning, via spin-orbit perturbations, of the large oscillator strength of the 4th positive system, A ^1 π ← X ^1 Σ ^+, to the triplet manifold. This allows some nominally spin-forbidden transitions to be exploited in multistep optical pumping schemes. The ability to {state-selectively} prepare CO in high vibrational states opens up new opportunities for molecular beam scattering experiments.

Vibration test report for in-chimney bracket and instrumented fuel assembly

Energy Technology Data Exchange (ETDEWEB)

Ryu, Jeong Soo; Yoon, D. B.; Cho, Y. G.; Ahn, G. H.; Lee, J. H.; Park, J.H

2000-10-01

The vibration levels of in-chimney bracket structure which is installed in reactor chimney and instrumented fuel assembly(Type-B Bundle) are investigated under the steady state normal operating condition of the reactor. For this purpose, 4 acceleration data on the guide tube of the instrumented fuel assembly and in-chimney bracket structures subjected to fluid induced vibration are measured. For the analysis of the vibration data, vibration analysis program which can perform basic time and frequency domain analysis, is prepared, and its reliability is verified by comparing the analysis results with those of commercial analysis program(I-DEAS). In time domain analysis, maximum amplitudes, and RMS values of accelerations and displacements from the measured vibration signal, are obtained. The frequency components of the vibration data are analyzed by using the frequency domain analysis. These analysis results show that the levels of the measured vibrations are within the allowable level, and the low frequency component near 10 Hz is dominant in the vibration signal. For the evaluation of the structural integrity on the in-chimney bracket and related structures including the instrumented fuel assembly, the static analysis for ANSYS finite element model is carried out. These analysis results show that the maximum stresses are within the allowable stresses of the ASME code, and the maximum displacement of the top of the flow tube is within the displacement limit. Therefore any damage on the structural integrity is not expected when the irradiation test is performed using the in-chimney bracket.

Vibration test report for in-chimney bracket and instrumented fuel assembly

International Nuclear Information System (INIS)

Ryu, Jeong Soo; Yoon, D. B.; Cho, Y. G.; Ahn, G. H.; Lee, J. H.; Park, J.H.

2000-10-01

The vibration levels of in-chimney bracket structure which is installed in reactor chimney and instrumented fuel assembly(Type-B Bundle) are investigated under the steady state normal operating condition of the reactor. For this purpose, 4 acceleration data on the guide tube of the instrumented fuel assembly and in-chimney bracket structures subjected to fluid induced vibration are measured. For the analysis of the vibration data, vibration analysis program which can perform basic time and frequency domain analysis, is prepared, and its reliability is verified by comparing the analysis results with those of commercial analysis program(I-DEAS). In time domain analysis, maximum amplitudes, and RMS values of accelerations and displacements from the measured vibration signal, are obtained. The frequency components of the vibration data are analyzed by using the frequency domain analysis. These analysis results show that the levels of the measured vibrations are within the allowable level, and the low frequency component near 10 Hz is dominant in the vibration signal. For the evaluation of the structural integrity on the in-chimney bracket and related structures including the instrumented fuel assembly, the static analysis for ANSYS finite element model is carried out. These analysis results show that the maximum stresses are within the allowable stresses of the ASME code, and the maximum displacement of the top of the flow tube is within the displacement limit. Therefore any damage on the structural integrity is not expected when the irradiation test is performed using the in-chimney bracket

Vibrationally Excited Carbon Monoxide Produced via a Chemical Reaction Between Carbon Vapor and Oxygen

Science.gov (United States)

Jans, Elijah R.; Eckert, Zakari; Frederickson, Kraig; Rich, Bill; Adamovich, Igor V.

2017-06-01

Measurements of the vibrational distribution function of carbon monoxide produced via a reaction between carbon vapor and molecular oxygen has shown a total population inversion on vibrational levels 4-7. Carbon vapor, produced using an arc discharge to sublimate graphite, is mixed with an argon oxygen flow. The excited carbon monoxide is vibrationally populated up to level v=14, at low temperatures, T=400-450 K, in a collision-dominated environment, 15-20 Torr, with total population inversions between v=4-7. The average vibrational energy per CO molecule formed by the reaction is 0.6-1.2 eV/molecule, which corresponds to 10-20% of the reaction enthalpy. Kinetic modeling of the flow reactor, including state specific vibrational processes, was performed to infer the vibrational distribution of the products of the reaction. The results show viability of developing of a new chemical CO laser from the reaction of carbon vapor and oxygen.

Prevalence and characteristics of vibrator use among women who have sex with women.

Science.gov (United States)

Schick, Vanessa; Herbenick, Debby; Rosenberger, Joshua G; Reece, Michael

2011-12-01

Research suggests that vibrator use may be more prevalent among lesbian/bisexual-identified women. However, previous research has been limited by small samples of lesbian- and bisexual-identified women and has not focused specifically on the characteristics of vibrator use between women. The present study was designed in order to develop a comprehensive understanding of women's use of vibrators with their female sexual partners and to understand the extent to which vibrator use is related to their sexual experiences. Data were collected via a cross-sectional web-based survey from 2,192 women living in the United States and the United Kingdom. All participants reported engaging in sexual behavior with only women in the previous year. Sociodemographic characteristics, vibrator use history, vibrator use perceptions, and the Female Sexual Function Index (FSFI). Over three-quarters of women in the sample reported a history of vibrator use during solo masturbation/with a female partner and over a quarter of the sample reported use in the previous month. Participants who were older, white, and in a long-term relationship were the most likely to use a vibrator with a female partner in the previous year. Vibrator use lifetime history was unrelated to all FSFI subscales with the exception of pain for lesbian and queer-identified women. In contrast to lifetime use, participants who used a vibrator with a female sexual partner in the previous month scored higher on several of the FSFI domains than women who reported no vibrator use or vibrator use only during solo masturbation in the past month. Vibrator use was common among this sample of women who have sex with women. Women who reported recent vibrator use with other women had higher mean sexual functioning scores than women who reported no vibrator use or vibrator use only during masturbation. Implications for health-care providers are discussed. © 2011 International Society for Sexual Medicine.

A Multiquantum State-to-State Model for the Fundamental States of Air: The Stellar Database

Science.gov (United States)

Lino da Silva, M.; Lopez, B.; Guerra, V.; Loureiro, J.

2012-12-01

We present a detailed database of vibrationally specific heavy-impact multiquantum rates for transitions between the fundamental states of neutral air species (N2 , O2 , NO, N and O). The most up-to-date datasets for atom- diatom collisions are firstly selected from the literature, scaled to accurate vibrational levels manifolds obtained using realistic intramolecular potentials, and extrapolated to high temperatures when necessary. For diatom-diatom collisions, vibrationally specific rates are produced using the Forced Harmonic Oscillator theory. An adequate manifold of vibrational levels is obtained from an accurate intermolecular potential, and available intermolecular potentials are approximated by a simplified Morse isotropic potential, or assumed through scaling of similar potentials otherwise. The database state-specific rates are valid for a large temperature range of low to very high temperatures, making it suitable for applications such as the modeling of high-enthalpy plasma sources or atmospheric entry applications. As experimentally determined state-specific rates are scarce, specially at high temperatures, emphasis has rather been put into verifying that the obtained rates are physically consistent, and verifying that they scale within the bounds of equilibrium rates available in the literature. The STELLAR database provides a complete and adequate set of heavy-impact rates for vibrational excitation, exchange, dissociation and recombination rates which can then be coupled to more detailed datasets for the simulation of physical-chemical processes in high-temperature plasmas. An application to the dissociation and exchange processes occurring behind an hypersonic shock wave are also presented in this work.

Portable vibration exciter

Science.gov (United States)

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

1970-01-01

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

Theoretical Studies Of Molecular Structure And Vibrational Spectra Of 5-Aminolevulinic Acid Hexyl Ester

International Nuclear Information System (INIS)

Comert, H.

2010-01-01

The molecular geometry and vibrational frequencies of The 5-Aminolevulinic acid's hexyl ester (ALA-H) in the ground state have been calculated using Hartree-Fock (HF) and Density functional method (B3LYP) with 6-31++G(d) basis set. The calculated vibrational spectra and geometric parameters of title compound were compered with experimental ones.

Report of workshop on vibration related to fluid in atomic energy field. 6

International Nuclear Information System (INIS)

1996-01-01

The accident of the fast breeder prototype reactor, 'Monju' on sodium leakage in its second cooling system occurred on December 8, 1995 was broadcast widely through mass-communication such as newspaper, television and others. Because of suspicion of whether concealment of videotape taken the accident state was intended to not, a method of information opening was an argument point. In spite of this, technical details of the accident was not transferred to researchers of each specified field by formal state still yet. Informations expected by the specialists of flow relating vibration are, for example, objective data such as accurate shape, eigenfrequency, attenuation, and others of the thermometer well, flow conditions and so forth, by knowing which they could judge reason of occurring the accident. It seems to be meaningful to conduct the information exchange on even a scale of the 'Yayoi Research Group'. Therefore, the Research Group was received all of objective facts on eddy excitation vibration of Monju's secondary system thermometer well accurately from its interested persons, reviewed on the eddy excitation vibration at this accident once more, and argued with a method of future research. In this book, the following 14 reports are described; 1) Outline of the Monju secondary system sodium leakage accident, 2) Karman vortex, 3) Flow at circumference of vibrates, 4) Flowing power analysis of the thermometer, 5) Flowing power vibration water flow test of the thermometer well, 6) Water flow test on the flow excitation vibration of the Monju's thermometer well, and others. (G.K.)

Uniqueness conditions for finitely dependent random fields

International Nuclear Information System (INIS)

Dobrushin, R.L.; Pecherski, E.A.

1981-01-01

The authors consider a random field for which uniqueness and some additional conditions guaranteeing that the correlations between the variables of the field decrease rapidly enough with the distance between the values of the parameter occur. The main result of the paper states that in such a case uniqueness is true for any other field with transition probabilities sufficiently close to those of the original field. Then they apply this result to some ''degenerate'' classes of random fields for which one can check this condition of correlation to decay, and thus obtain some new conditions of uniqueness. (Auth.)

Chemical reaction rates and non-equilibrium pressure of reacting gas mixtures in the state-to-state approach

International Nuclear Information System (INIS)

Kustova, Elena V.; Kremer, Gilberto M.

2014-01-01

Highlights: • State-to-state approach for coupled vibrational relaxation and chemical reactions. • Self-consistent model for rates of non-equilibrium reactions and energy transitions. • In viscous flows mass action law is violated. • Cross coupling between reaction rates and non-equilibrium pressure in viscous flow. • Results allow implementing the state-to-state approach for viscous flow simulations. - Abstract: Viscous gas flows with vibrational relaxation and chemical reactions in the state-to-state approach are analyzed. A modified Chapman–Enskog method is used for the determination of chemical reaction and vibrational transition rates and non-equilibrium pressure. Constitutive equations depend on the thermodynamic forces: velocity divergence and chemical reaction/transition affinity. As an application, N 2 flow with vibrational relaxation across a shock wave is investigated. Two distinct processes occur behind the shock: for small values of the distance the affinity is large and vibrational relaxation is in its initial stage; for large distances the affinity is small and the chemical reaction is in its final stage. The affinity contributes more to the transition rate than the velocity divergence and the effect of these two contributions are more important for small distances from the shock front. For the non-equilibrium pressure, the term associated with the bulk viscosity increases by a small amount the hydrostatic pressure

Chemical reaction rates and non-equilibrium pressure of reacting gas mixtures in the state-to-state approach

Energy Technology Data Exchange (ETDEWEB)

Kustova, Elena V., E-mail: e.kustova@spbu.ru [Department of Mathematics and Mechanics, Saint Petersburg State University, 198504 Universitetskiy pr. 28, Saint Petersburg (Russian Federation); Kremer, Gilberto M., E-mail: kremer@fisica.ufpr.br [Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19044, 81531-980 Curitiba (Brazil)

2014-12-05

Highlights: • State-to-state approach for coupled vibrational relaxation and chemical reactions. • Self-consistent model for rates of non-equilibrium reactions and energy transitions. • In viscous flows mass action law is violated. • Cross coupling between reaction rates and non-equilibrium pressure in viscous flow. • Results allow implementing the state-to-state approach for viscous flow simulations. - Abstract: Viscous gas flows with vibrational relaxation and chemical reactions in the state-to-state approach are analyzed. A modified Chapman–Enskog method is used for the determination of chemical reaction and vibrational transition rates and non-equilibrium pressure. Constitutive equations depend on the thermodynamic forces: velocity divergence and chemical reaction/transition affinity. As an application, N{sub 2} flow with vibrational relaxation across a shock wave is investigated. Two distinct processes occur behind the shock: for small values of the distance the affinity is large and vibrational relaxation is in its initial stage; for large distances the affinity is small and the chemical reaction is in its final stage. The affinity contributes more to the transition rate than the velocity divergence and the effect of these two contributions are more important for small distances from the shock front. For the non-equilibrium pressure, the term associated with the bulk viscosity increases by a small amount the hydrostatic pressure.

High-Temperature Vibration Damper

Science.gov (United States)

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.

Ground test for vibration control demonstrator

Science.gov (United States)

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.

Mechanical vibration and shock analysis, sinusoidal vibration

CERN Document Server

Lalanne, Christian

2014-01-01

Everything engineers need to know about mechanical vibration and shock...in one authoritative reference work! This fully updated and revised 3rd edition addresses the entire field of mechanical vibration and shock as one of the most important types of load and stress applied to structures, machines and components in the real world. Examples include everything from the regular and predictable loads applied to turbines, motors or helicopters by the spinning of their constituent parts to the ability of buildings to withstand damage from wind loads or explosions, and the need for cars to m

Release and nonvolatile operation of carbon nanotube nanorelay by resonant vibration

Energy Technology Data Exchange (ETDEWEB)

Kagota, Tatsuya; Takei, Kuniharu; Arie, Takayuki; Akita, Seiji, E-mail: akita@pe.osakafu-u.ac.jp [Department of Physics and Electronics, Osaka Prefecture University, 1-1 Gakuen-cho, Nakaku, Sakai, Osaka 599-8531 (Japan); Nagataki, Atsuko [Department of Physics and Electronics, Osaka Prefecture University, 1-1 Gakuen-cho, Nakaku, Sakai, Osaka 599-8531 (Japan); Materials Analysis Research Center, KRI, Inc., Osaka 554-0051 (Japan)

2013-11-11

We investigated the release of a stuck carbon nanotube (CNT) cantilever beam in nanorelay applications using a nano-manipulator. Even with strong adhesion induced by electrostatic attraction that is 100 times stronger than the van der Waals interaction, successful release of a nanotube arm from a stuck state was realized by the application of a resonant vibration to the stuck CNT arm. Furthermore, nonvolatile operation of the nanotube nanorelay was demonstrated by the application of the resonant vibration to the stuck CNT arm.

Model Predictive Vibration Control Efficient Constrained MPC Vibration Control for Lightly Damped Mechanical Structures

CERN Document Server

Takács, Gergely

2012-01-01

Real-time model predictive controller (MPC) implementation in active vibration control (AVC) is often rendered difficult by fast sampling speeds and extensive actuator-deformation asymmetry. If the control of lightly damped mechanical structures is assumed, the region of attraction containing the set of allowable initial conditions requires a large prediction horizon, making the already computationally demanding on-line process even more complex. Model Predictive Vibration Control provides insight into the predictive control of lightly damped vibrating structures by exploring computationally efficient algorithms which are capable of low frequency vibration control with guaranteed stability and constraint feasibility. In addition to a theoretical primer on active vibration damping and model predictive control, Model Predictive Vibration Control provides a guide through the necessary steps in understanding the founding ideas of predictive control applied in AVC such as: ·         the implementation of ...

A REVIEW OF VIBRATION MACHINE DIAGNOSTICS BY USING ARTIFICIAL INTELLIGENCE METHODS

Directory of Open Access Journals (Sweden)

Grover Zurita

2016-09-01

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

The influence of flywheel micro vibration on space camera and vibration suppression

Science.gov (United States)

Li, Lin; Tan, Luyang; Kong, Lin; Wang, Dong; Yang, Hongbo

2018-02-01

Studied the impact of flywheel micro vibration on a high resolution optical satellite that space-borne integrated. By testing the flywheel micro vibration with six-component test bench, the flywheel disturbance data is acquired. The finite element model of the satellite was established and the unit force/torque were applied at the flywheel mounting position to obtain the micro vibration data of the camera. Integrated analysis of the data of the two parts showed that the influence of flywheel micro vibration on the camera is mainly concentrated around 60-80 Hz and 170-230 Hz, the largest angular displacement of the secondary mirror along the optical axis direction is 0.04″ and the maximum angular displacement vertical to optical axis is 0.032″. After the design and installation of vibration isolator, the maximum angular displacement of the secondary mirror is 0.011″, the decay rate of root mean square value of the angular displacement is more than 50% and the maximum is 96.78%. The whole satellite was suspended to simulate the boundary condition on orbit; the imaging experiment results show that the image motion caused by the flywheel micro vibrationis less than 0.1 pixel after installing the vibration isolator.

Demonstration of a Speckle Based Sensing with Pulse-Doppler Radar for Vibration Detection

Directory of Open Access Journals (Sweden)

Nisan Ozana

2018-05-01

Full Text Available In previous works, an optical technique for extraction and separation of remote static vibrations has been demonstrated. In this paper, we will describe an approach in which RF speckle movement is used to extract remote vibrations of a static target. The use of conventional radar Doppler methods is not suitable for detecting vibrations of static targets. In addition, the speckle method has an important advantage, in that it is able to detect vibrations at far greater distances than what is normally detected in classical optical methods. The experiment described in this paper was done using a motorized vehicle, which engine was turned on and off. The results showed that the system was able to distinguish between the different engine states, and in addition, was able to determine the vibration frequency of the engine. The first step towards real time detection of human vital signs using RF speckle patterns is presented.

Picosecond dynamics of the glutamate receptor in response to agonist-induced vibrational excitation.

Science.gov (United States)

Kubo, Minoru; Shiomitsu, Eiji; Odai, Kei; Sugimoto, Tohru; Suzuki, Hideo; Ito, Etsuro

2004-02-01

Conformational changes of proteins are dominated by the excitation and relaxation processes of their vibrational states. To elucidate the mechanism of receptor activation, the conformation dynamics of receptors must be analyzed in response to agonist-induced vibrational excitation. In this study, we chose the bending vibrational mode of the guanidinium group of Arg485 of the glutamate receptor subunit GluR2 based on our previous studies, and we investigated picosecond dynamics of the glutamate receptor caused by the vibrational excitation of Arg485 via molecular dynamics simulations. The vibrational excitation energy in Arg485 in the ligand-binding site initially flowed into Lys730, and then into the J-helix at the subunit interface of the ligand-binding domain. Consequently, the atomic displacement in the subunit interface around an intersubunit hydrogen bond was evoked in about 3 ps. This atomic displacement may perturb the subunit packing of the receptor, triggering receptor activation. Copyright 2003 Wiley-Liss, Inc.

Molecular Structure And Vibrational Frequencies of Tetrafluoro isophthalonitrile By Hartree-Fock And Density Functional Theory Calculations

International Nuclear Information System (INIS)

Ayikoglu, A.

2008-01-01

The molecular structure, vibrational frequencies and corresponding vibrational assignments of tetrafluoro isophthalonitrile (TFPN) in the ground state have been calculated using the Hartree-Fock (HF) and density functional methods (B3LYP) with 6-311++G (d, p) basis set. The calculations were utilized in the CS symmetry of TFPN. The obtained vibrational frequencies and optimized geometric parameters (bond lengths and bond angles) were seen to be in good agreement with the experimental data. The comparison of the observed and calculated results showed that the B3LYP method is superior to the HF method for both the vibrational frequencies and geometric parameters

Analysis of molecular structure and vibrational spectra of hexadecyl (cetyl) trimethylammonium brode (CTAB)

International Nuclear Information System (INIS)

Goekce, H.; Bahceli, S.

2010-01-01

FT-IR and Raman spectra of CTAB [C 1 6H 3 3N(CH 3 ) 3 ] + Br - have been experimentally recorded in the region 550-4000 cm - 1 and 400-3100 cm - 1, respectively. The molecular geometry and vibrational frequencies of CTAB in the ground state have been calculated by using ab initio Hartree-Fock (HF) and density functional theory (DFT/B3LYP) methods with the 6-31+G(d,p) basis set. The obtained optimized geometric parameters (bond lengths and bond angles) and vibrational frequencies were in very good agreement with the experimental data. The comparisons of the observed fundamental vibrational frequencies and calculated results for the fundamental vibrational frequencies of CTAB shows that the scaled B3LYP method is superior compared to the scaled HF method.

Description of low-lying states in odd-odd deformed nuclei taking account of the coupling with core rotations and vibrations. 1

International Nuclear Information System (INIS)

Kvasil, J.; Hrivnacova, I.; Nesterenko, V.O.

1990-01-01

The microscopic approach for description of low-lyinig states in deformed odd-odd nuclei is formulated as a generalization of the quasiparticle-phonon model (QPM) with including the rotational degrees of freedom and n-p interaction between external nucleons into the QPM. In comparison with other models, the approach proposed includes all three the most important effects coupling with rotational and vibrational degrees of freedom of doubly-even core and p-n interaction mentioned above even treates them on the microscopic base. 36 refs

An SVM-Based Classifier for Estimating the State of Various Rotating Components in Agro-Industrial Machinery with a Vibration Signal Acquired from a Single Point on the Machine Chassis

Directory of Open Access Journals (Sweden)

Ruben Ruiz-Gonzalez

2014-11-01

Full Text Available The goal of this article is to assess the feasibility of estimating the state of various rotating components in agro-industrial machinery by employing just one vibration signal acquired from a single point on the machine chassis. To do so, a Support Vector Machine (SVM-based system is employed. Experimental tests evaluated this system by acquiring vibration data from a single point of an agricultural harvester, while varying several of its working conditions. The whole process included two major steps. Initially, the vibration data were preprocessed through twelve feature extraction algorithms, after which the Exhaustive Search method selected the most suitable features. Secondly, the SVM-based system accuracy was evaluated by using Leave-One-Out cross-validation, with the selected features as the input data. The results of this study provide evidence that (i accurate estimation of the status of various rotating components in agro-industrial machinery is possible by processing the vibration signal acquired from a single point on the machine structure; (ii the vibration signal can be acquired with a uniaxial accelerometer, the orientation of which does not significantly affect the classification accuracy; and, (iii when using an SVM classifier, an 85% mean cross-validation accuracy can be reached, which only requires a maximum of seven features as its input, and no significant improvements are noted between the use of either nonlinear or linear kernels.

Automated Bearing Fault Diagnosis Using 2D Analysis of Vibration Acceleration Signals under Variable Speed Conditions

Directory of Open Access Journals (Sweden)

Sheraz Ali Khan

2016-01-01

Full Text Available Traditional fault diagnosis methods of bearings detect characteristic defect frequencies in the envelope power spectrum of the vibration signal. These defect frequencies depend upon the inherently nonstationary shaft speed. Time-frequency and subband signal analysis of vibration signals has been used to deal with random variations in speed, whereas design variations require retraining a new instance of the classifier for each operating speed. This paper presents an automated approach for fault diagnosis in bearings based upon the 2D analysis of vibration acceleration signals under variable speed conditions. Images created from the vibration signals exhibit unique textures for each fault, which show minimal variation with shaft speed. Microtexture analysis of these images is used to generate distinctive fault signatures for each fault type, which can be used to detect those faults at different speeds. A k-nearest neighbor classifier trained using fault signatures generated for one operating speed is used to detect faults at all the other operating speeds. The proposed approach is tested on the bearing fault dataset of Case Western Reserve University, and the results are compared with those of a spectrum imaging-based approach.

A comment on "Ab initio study: the potential energy curves and ro-vibrational spectrum of low-lying excited states of HCl+ cation"

Science.gov (United States)

Liu, Ya-Jun; Cheng, Xin-Lu; Chen, Hua-Jun; Cheng, Jun-Xia; Song, Xiao-Shu

2018-02-01

Since the 2Π state in HCl+ is an inverted doublet, the energy of the 2Π1/2 state is higher than the 2Π3/2. Therefore, the larger value of intensity correspond to the transition of 2Π3/2. We calculated the Einstein A coefficients and radiation lifetimes for the A2Σ+-X2Π transition. Our results are in good agreement with the experimental data and theoretical values. Then the ro-vibrational line intensities of the 1-0 band were calculated for the 2Π3/2 and 2Π1/2 states of HCl+. Employing the RKR potential, the predicted band origins for Δν=1-0 are 2569.3 and 2568.55 cm-1 for 2Π3/2 and 2Π1/2, respectively.

Vibrations of rotating machinery

CERN Document Server

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

2017-01-01

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

Evolution from vibration to rotation in 108Cd nucleus within microscopic theory

International Nuclear Information System (INIS)

Ni Shaoyong; Tong Hong; Zhao Xingzhi; Shi Zhuyi; The Secon Northwest Inst. for Minority, Yinchuan; Zhang Chunmei; Lei Yuxi

2008-01-01

Based on the microscopic sdIBM-F max model and the single-particle energies from experiment, with the use of the most general Hamiltonian, the vibrational band and rotational band in 108 Cd nucleus as well as its evolutional process were reproduced very well by two different groups of nucleon-nucleon effective interaction parameters. And phenomenological study identifies that: 1) The coexisting region of two excitation models is on the interval between the state 8+ and state 14 1 + (this is a interval with E x =3.683-5.503 MeV), and the 8 1 + state is a state preponderant in the vibrational model, the 14 1 + state is one predominant in the rotational model, while the state 10 1 + is a cross- bencher state relative to the two models; 2) The yrast states from the ground-state up to the 24 1 + state all are collective states, hereafter the first breaking up and aligning state maybe is a two-quasiparticle state of neutron on the intruder orbits h 11/2 ; 3) This structure evolution has been achieved via the moderate changes of the pair coupling probability of valence nucleons in the coexisting region, and thus is not very rapidly. (authors)

Urban vibrations

DEFF Research Database (Denmark)

Morrison, Ann; Knudsen, L.; Andersen, Hans Jørgen

2012-01-01

In   this   paper   we   describe   a   field   study   conducted   with   a   wearable   vibration   belt   where   we   test   to   determine   the   vibration   intensity   sensitivity   ranges   on   a   large   diverse   group   of   participants   with   evenly   distributed  ages  and...

The Role of Self-Interaction Corrections, Vibrations, and Spin-Orbit in Determining the Ground Spin State in a Simple Heme

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Der-you Kao

2017-10-01

Full Text Available Without self-interaction corrections or the use of hybrid functionals, approximations to the density-functional theory (DFT often favor intermediate spin systems over high-spin systems. In this paper, we apply the recently proposed Fermi–Löwdin-orbital self-interaction corrected density functional formalism to a simple tetra-coordinated Fe(II-porphyrin molecule and show that the energetic orderings of the S = 1 and S = 2 spin states are changed qualitatively relative to the results of Generalized Gradient Approximation (developed by Perdew, Burke, and Ernzerhof, PBE-GGA and Local Density Approximation (developed by Perdew and Wang, PW92-LDA. Because the energetics, associated with changes in total spin, are small, we have also calculated the second-order spin–orbit energies and the zero-point vibrational energies to determine whether such corrections could be important in metal-substituted porphins. Our results find that the size of the spin–orbit and vibrational corrections to the energy orderings are small compared to the changes due to the self-interaction correction. Spin dependencies in the Infrared (IR/Raman spectra and the zero-field splittings are provided as a possible means for identifying the spin in porphyrins containing Fe(II.

Natural convection enhancement by a discrete vibrating plate and a cross-flow opening: a numerical investigation

Science.gov (United States)

Florio, L. A.; Harnoy, A.

2011-06-01

In this study, a unique combination of a vibrating plate and a cross-flow passage is proposed as a means of enhancing natural convection cooling. The enhancement potential was estimated based on numerical studies involving a representative model which includes a short, transversely oscillating plate, placed over a transverse cross-flow opening in a uniformly heated vertical channel wall dividing two adjacent vertical channels. The resulting velocity and temperature fields are analyzed, with the focus on the local thermal effects near the opening. The simulation indicates up to a 50% enhancement in the local heat transfer coefficient for vibrating plate amplitudes of at least 30% of the mean clearance space and frequencies of over 82 rad/s.

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

Science.gov (United States)

Lerner, Edan; Bouchbinder, Eran

2017-08-01

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

Surface vibrational spectroscopy

International Nuclear Information System (INIS)

Erskine, J.L.

1984-01-01

A brief review of recent studies which combine measurements of surface vibrational energies with lattice dynamical calculations is presented. These results suggest that surface vibrational spectroscopy offers interesting prospects for use as a molecular-level probe of surface geometry, adsorbate bond distances and molecular orientations

Fast vibrational configuration interaction using generalized curvilinear coordinates and self-consistent basis.

Science.gov (United States)

Scribano, Yohann; Lauvergnat, David M; Benoit, David M

2010-09-07

In this paper, we couple a numerical kinetic-energy operator approach to the direct-vibrational self-consistent field (VSCF)/vibrational configuration interaction (VCI) method for the calculation of vibrational anharmonic frequencies. By combining this with fast-VSCF, an efficient direct evaluation of the ab initio potential-energy surface (PES), we introduce a general formalism for the computation of vibrational bound states of molecular systems exhibiting large-amplitude motion such as methyl-group torsion. We validate our approach on an analytical two-dimensional model and apply it to the methanol molecule. We show that curvilinear coordinates lead to a significant improvement in the VSCF/VCI description of the torsional frequency in methanol, even for a simple two-mode coupling expansion of the PES. Moreover, we demonstrate that a curvilinear formulation of the fast-VSCF/VCI scheme improves its speed by a factor of two and its accuracy by a factor of 3.

Vibration-induced particle formation during yogurt fermentation-Effect of frequency and amplitude.

Science.gov (United States)

Körzendörfer, Adrian; Temme, Philipp; Schlücker, Eberhard; Hinrichs, Jörg; Nöbel, Stefan

2018-05-01

Machinery such as pumps used for the commercial production of fermented milk products cause vibrations that can spread to the fermentation tanks. During fermentation, such vibrations can disturb the gelation of milk proteins by causing texture defects including lumpiness and syneresis. To study the effect of vibrations on yogurt structure systematically, an experimental setup was developed consisting of a vibration exciter to generate defined vibrational states and accelerometers for monitoring. During the fermentation of skim milk, vibrations (frequency sweep: 25 to 1,005 Hz) were introduced at different pH (5.7 to 5.1, step width 0.1 units) for 200 s. Physical properties of set gels (syneresis, firmness) and resultant stirred yogurts (visible particles, rheology, laser diffraction) were analyzed. Vibrational treatments at pH 5.5 to 5.2 increased syneresis, gel firmness, and the number of large particles (d > 0.9 mm); hence, this period was considered critical. The particle number increased from 34 ± 5 to 242 ± 16 particles per 100 g of yogurt due to vibrations at pH 5.4. In further experiments, yogurts were excited with fixed frequencies (30, 300, and 1,000 Hz). All treatments increased syneresis, firmness, and particle formation. As the strongest effect was observed by applying 30 Hz, the amplitude was set to vibration accelerations of a = 5, 10, 15, 20, and 25 m/s 2 in the final experiments. The number of large particles was increased due to each treatment and a positive correlation with the amplitude was found. We concluded that vibrations during gelation increase the collision probability of aggregating milk proteins, resulting in a compressed set gel with syneresis. Resultant stirred yogurts exhibit large particles with a compact structure leading to a reduced water-holding capacity and product viscosity. Copyright © 2018 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Coherent vibrational dynamics

CERN Document Server

Lanzani, Guglielmo; De Silvestri, Sandro

2007-01-01

Vibrational spectroscopy is a powerful investigation tool for a wide class of materials covering diverse areas in physics, chemistry and biology. The continuous development in the laser field regarding ultrashort pulse generation has led to the possibility of producing light pulses that can follow vibrational motion coupled to the electronic transitions in molecules and solids in real time. Aimed at researchers and graduate students using vibrational spectroscopy, this book provides both introductory chapters as well as more advanced contents reporting on recent progress. It also provides a good starting point for scientists seeking a sound introduction to ultrafast optics and spectroscopic techniques.

B (E2) values of transitions from kπ= 0+→ 2+ vibrational bands in some well deformed heavy nuclei

International Nuclear Information System (INIS)

Singh, M.; Varshney, Mani; Gupta, D.K.; Bihari, Chhail; Singh, Yuvraj; Varshney, A.K.; Gupta, K.K

2009-01-01

There is simultaneous reduced B (E2) values of low-lying K π= 0 + → 2 + states, indicating a beta vibration like structure as well as the two particle transfer cross-section which suggest a pairing vibration like character and interpreted that low-lying k π= 0 + → 2 + resonance are classical beta vibrations. Recently, similar doubts about the origin of beta vibrations from surface oscillation have also been published

Contactless Diagnostics of Turbine Blade Vibration and Damage

International Nuclear Information System (INIS)

Prochazka, Pavel; Vanek, Frantisek

2011-01-01

The study deals with the contactless diagnostic method used for the identification of steam turbine blade strain, vibration and damage. The tip-timing method based on the evaluation of time differences of blade passages in different rotor revolutions has been modified and improved to provide more precise and reliable results. A new approach to the analysis of the amplitude and time differences of impulse signals generated by a blade passage has been applied. Amplitudes and frequencies of vibrations and static position of blades ascertained by the diagnostic process are used to establish the state of blade damage. A contactless diagnostic system VDS-UT based on magneto-resistive sensors was developed in the Institute of Thermomechanics Academy of Sciences of the Czech Republic. The system provides on-line monitoring of vibration amplitudes and frequencies of all blades and notification of possible blade damage. Evaluation of the axial and circumferential components of the deflections by measuring the amplitude of blade impulse signals results in an overall improvement of the method. Using magneto-resistive sensors, blade elongation and untwisting can be determined as well.

Quasi-classical trajectory study of the role of vibrational and translational energy in the Cl(2P) + NH3 reaction.

Science.gov (United States)