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)

Rotational excitation of N2 by electron impact: 1-4 eV

International Nuclear Information System (INIS)

Wong, S.F.; Dube, L.

1978-01-01

Rotational and rotational-vibrational (v = 0 → 1) excitation in N 2 have been studied with a crossed-beam electron-impact apparatus. In the energy range 1-4 eV, the elastic and vibrational energy-loss peaks show large rotational broadening compared with the apparatus profile (full width at half-maximum, 18 meV). The branching ratios for rotational transitions with Δj = 0, +- 2, +- 4 are obtained with a line-shape analysis applied to the energy-loss profiles. The results for rotational-vibrational excitation at 2.27 eV and scattering angles 30-90 0 are in good agreement with the calculations using the resonant dπ waves and the rotational impulse approximation. The corresponding results for pure rotational excitation show that the branches with Δj = +- 2 and +- 4 are predominantly excited via resonances, while the branch with Δj = 0 contains a large contribution from direct scattering. The absolute rotational cross sections for Δj = +- 4 are measured; they exhibit a large magnitude (10 -16 cm 2 ) and peak and valley structures in the 1-4 eV range, reminiscent of well-known resonant vibrational excitation. The energy dependence and the absolute magnitude of the rotational cross sections for Δj = +- 4 can be understood in terms of a ''boomerang'' calculation. A comparison of the experiment with the relevant theoretical calculations is made

Construction of a Vibration Monitoring System for HANARO's Rotating Machinery and Analysis of Pump Vibration Signals

International Nuclear Information System (INIS)

Ryu, Jeong Soo; Yoon, Doo Byung

2005-01-01

HANARO is an open-tank-in-pool type research reactor with a thermal power of 30MW. In order to remove the heat generated by the reactor core and the reflector vessel, primary cooling pumps and reflector cooling pumps circulate coolant. These pumps are installed at the RCI(Reactor Concrete Island) which is covered by heavy concrete hatches. For the prevention of an abnormal operation of these pumps in the RCI, it is necessary to construct a vibration monitoring system that provides an alarm signal to the reactor control room when the rotating speed or the vibration level exceeds the allowable limit. The first objective of this work is to construct a vibration monitoring system for HANARO's rotating machinery. The second objective is to verify the possibility of condition monitoring of the rotating machinery. To construct a vibration monitoring system, as a first step, the standards and references related to the vibration monitoring system were investigated. In addition, to determine the number and the location of sensors that can effectively characterize the overall vibration of a pump, the vibration of the primary cooling pumps and the reflector cooling pumps were measured. Based on these results, detailed construction plans for the vibration monitoring system for HANARO were established. Then, in accordance with the construction plans, the vibration monitoring system for HANARO's rotating machinery was manufactured and installed at HANARO. To achieve the second objective, FFT analysis and bearing fault detection of the measured vibration signals were performed. The analysis results demonstrate that the accelerometers mounted at the bearing locations of the pumps can effectively monitor the pump condition

Rotational and vibrational synthetic spectra of linear parent molecules in comets

International Nuclear Information System (INIS)

Crovisier, J.

1987-01-01

We evaluate and model the excitation conditions of linear parent molecules in cometary atmospheres. The model is valid for most linear molecules without electronic angular momentum. It takes into account collisions and infrared excitation. The molecule rotational population distribution is computed as a function of distance to nucleus. The line intensities of the strongest parallel and perpendicular fundamental vibrational bands, as well as the pure rotational lines, can then be evaluated. This model is applied to several candidate parent molecules, for observing conditions corresponding to available or planned instruments, either ground-based or aboard aircrafts, satellites or space probes

Rotational-vibrational states of nonaxial deformable even-even nuclei

International Nuclear Information System (INIS)

Porodzinskii, Yu.V.; Sukhovitskii, E.Sh.

1991-01-01

The rotational-vibrational excitations of nonaxial even-even nuclei are studied on the basis of a Hamiltonian operator with five dynamical variables. Explicit forms of the wave functions and energies of the rotational-vibrational excitations of such nuclei are obtained. The experimental energies of excited positive-parity states of the 238 U nucleus and those calculated in terms of the model discussed in the article are compared

On selection rules in vibrational and rotational molecular spectroscopy

International Nuclear Information System (INIS)

Guichardet, A.

1986-01-01

The aim of this work is a rigorous proof of the Selection Rules in Molecular Spectroscopy (Vibration and Rotation). To get this we give mathematically rigorous definitions of the (tensor) transition operators, in this case the electric dipole moment; this is done, firstly by considering the molecule as a set of point atomic kernels performing arbitrary motions, secondly by limiting ourselves either to infinitesimal vibration motions, or to arbitrary rotation motions. Then the selection rules follow from an abstract formulation of the Wigner-Eckart theorem. In a last paragraph we discuss the problem of separating vibration and rotation motions; very simple ideas from Differential Geometry, linked with the ''slice theorem'', allow us to define the relative speeds, the solid motions speeds, the Coriolis energies and the moving Eckart frames [fr

Vibration-rotation band intensities in the IR spectra of polyatomic molecules

International Nuclear Information System (INIS)

El'kin, M.D.; Kosterina, E.K.; Berezin

1995-01-01

Using the curvilinear vibrational coordinates for a nuclear subsystem, expressions for the effective dipole-moment operators are derived in order to analyze the vibrational-rotational transitions in the IR spectra of polyatomic rigid molecules. The explicit expressions obtained for the intensities of hot bands allow one to estimate the influence of the vibration-rotation interaction within the framework of the adopted molecular-vibration model. The suggested method is shown to be suitable for Raman spectra analysis. 12 refs

A Study on the Vibration Measurement and Analysis of Rotating Machine Foundations

Energy Technology Data Exchange (ETDEWEB)

Lee, Jong Rim; Jeon, Kyu Sik; Suh, Young Pyo; Cho, Chul Hwan; Kim, Sung Taeg; Lee, Myung Kyu [Korea Electric Power Research Institute, Taejon (Korea, Republic of)

1996-12-31

To search for the cause of vibration problem of rotating machine in the power plant, first the rotating machine is classified according to their type and each vibration characteristic is reviewed. The criteria for the evaluation of mechanical vibration effect on the structure and human being during the design of machine foundation is described below. The foundation of rotating machine is classified according to its shape and some factors are described which should be considered during dynamic modeling analysis for its correct result. Also the methods of incorporating foundation vibration into mechanical vibration analysis are reviewed. Type of vibration measurement and analysis which is used to find out the dynamic characteristic of structure is described in accordance with its signal processing and measuring method. Measurement of vibration and its analysis when there occurs real vibration troubles in power plant are compared with the results of numerical modeling as case studies. (author). 16 refs., 23 figs.

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

Vibrational Suspension of Light Sphere in a Tilted Rotating Cylinder with Liquid

Directory of Open Access Journals (Sweden)

Victor G. Kozlov

2014-01-01

Full Text Available The dynamics of a light sphere in a quickly rotating inclined cylinder filled with liquid under transversal vibrations is experimentally investigated. Due to inertial oscillations of the sphere relative to the cavity, its rotation velocity differs from the cavity one. The intensification of the lagging motion of a sphere and the excitation of the outstripping differential rotation are possible under vibrations. It occurs in the resonant areas where the frequency of vibrations coincides with the fundamental frequency of the system. The position of the sphere in the center of the cylinder could be unstable. Different velocities of the sphere are matched with its various quasistationary positions on the axis of rotating cavity. In tilted rotating cylinder, the axial component of the gravity force appears; however, the light sphere does not float to the upper end wall but gets the stable position at a definite distance from it. It makes possible to provide a vibrational suspension of the light sphere in filled with liquid cavity rotating around the vertical axis. It is found that in the wide range of the cavity inclination angles the sphere position is determined by the dimensionless velocity of body differential rotation.

An expert system for vibration based diagnostics of rotating machines

International Nuclear Information System (INIS)

Korteniemi, A.

1990-01-01

Very often changes in the mechanical condition of the rotating machinery can be observed as changes in its vibration. This paper presents an expert system for vibration-based diagnosis of rotating machines by describing the architecture of the developed prototype system. The importance of modelling the problem solving knowledge as well as the domain knowledge is emphasized by presenting the knowledge in several levels

Multiple scattering approach to the vibrational excitation of molecules by slow electrons

International Nuclear Information System (INIS)

Drukarev, G.

1976-01-01

Another approach to the problem of vibrational excitation of homonuclear two-atomic molecules by slow electrons possibly accompanied by rotational transitions is presented based on the picture of multiple scattering of an electron inside the molecule. The scattering of two fixed centers in the zero range potential model is considered. The results indicate that the multiple scattering determines the order of magnitude of the vibrational excitation cross sections in the energy region under consideration even if the zero range potential model is used. Also the connection between the multiple scattering approach and quasi-stationary molecular ion picture is established. 9 refs

Vibrationally elastic and inelastic scattering of electrons by hydrogen sulphide molecules

International Nuclear Information System (INIS)

Nishimura, Tamio; Itikawa, Yukikazu

1996-01-01

Vibrationally elastic and inelastic cross sections (differential and integral ones) are calculated for electron scattering from hydrogen sulphide (H 2 S) at the collision energies 3-30 eV. Vibrational excitation of all three fundamental modes is considered. The calculation is based on the rotationally sudden and a vibrationally close-coupling method using an ab initio electrostatic potential. The effects of electron exchange and target polarization are taken into account approximately. The resulting cross sections are compared with the experimental data available. The present differential cross sections (DCS) for the elastic scattering reproduce the experimental data well. For the inelastic scattering, the present DCS is too small at 3 eV, compared with the experimental data. This is probably due to a shape resonance, which the present calculation would not be sufficiently accurate to produce. In the higher energy region (i.e. above about 10 eV), the present vibrational cross section should be more reliable, but no experimental data are available so far. (Author)

Characteristics of steady vibration in a rotating hub-beam system

Science.gov (United States)

Zhao, Zhen; Liu, Caishan; Ma, Wei

2016-02-01

A rotating beam features a puzzling character in which its frequencies and modal shapes may vary with the hub's inertia and its rotating speed. To highlight the essential nature behind the vibration phenomena, we analyze the steady vibration of a rotating Euler-Bernoulli beam with a quasi-steady-state stretch. Newton's law is used to derive the equations governing the beam's elastic motion and the hub's rotation. A combination of these equations results in a nonlinear partial differential equation (PDE) that fully reflects the mutual interaction between the two kinds of motion. Via the Fourier series expansion within a finite interval of time, we reduce the PDE into an infinite system of a nonlinear ordinary differential equation (ODE) in spatial domain. We further nondimensionalize the ODE and discretize it via a difference method. The frequencies and modal shapes of a general rotating beam are then determined numerically. For a low-speed beam where the ignorance of geometric stiffening is feasible, the beam's vibration characteristics are solved analytically. We validate our numerical method and the analytical solutions by comparing with either the past experiments or the past numerical findings reported in existing literature. Finally, systematic simulations are performed to demonstrate how the beam's eigenfrequencies vary with the hub's inertia and rotating speed.

Group-theoretical and topological analysis of localized rotation-vibration states

International Nuclear Information System (INIS)

Sadovskii, D.A.; Zhilinskii, B.I.

1993-01-01

A general scheme of qualitative analysis is applied to molecular rovibrational problems. The classical-quantum correspondence provides a description of different classes of localized quantum rotation-vibration states associated with localized classical motion. A description of qualitative features, such as localized motion, and of qualitative changes, such as localization phenomena, is based on the concept of the simplest Hamiltonian. It uses only the topological properties of the compact reduced phase space and the action of the symmetry group on this space. The qualitative changes of the simplest Hamiltonian are analyzed as bifurcations caused by rotational or vibrational excitation. The relation between the stationary points of the classical Hamiltonian function on the reduced phase space and the principal periodic trajectories in the coordinate space is analyzed for vibrational Hamiltonians. In particular, the relation between the nonlinear normal modes, proposed by Montaldi, Roberts, and Stewart [Philos. Trans. R. Soc. London, Ser. A 325, 237 (1988)], and normal- and local-mode models widely used in molecular physics is discussed. Along with a general consideration of localized rotational and vibrational states a more detailed analysis of the vibrational dynamics of an X 3 molecule with the D 3h symmetry, such as the H 3 + molecular ion, is given

Systematic studies of molecular vibrational anharmonicity and vibration-rotation interaction by self-consistent-field higher derivative methods: Applications to asymmetric and symmetric top and linear polyatomic molecules

International Nuclear Information System (INIS)

Clabo, D.A. Jr.

1987-04-01

Inclusion of the anharmonicity normal mode vibrations [i.e., the third and fourth (and higher) derivatives of a molecular Born-Oppenheimer potential energy surface] is necessary in order to theoretically reproduce experimental fundamental vibrational frequencies of a molecule. Although ab initio determinations of harmonic vibrational frequencies may give errors of only a few percent by the inclusion of electron correlation within a large basis set for small molecules, in general, molecular fundamental vibrational frequencies are more often available from high resolution vibration-rotation spectra. Recently developed analytic third derivatives methods for self-consistent-field (SCF) wavefunctions have made it possible to examine with previously unavailable accuracy and computational efficiency the anharmonic force fields of small molecules

Systematic studies of molecular vibrational anharmonicity and vibration-rotation interaction by self-consistent-field higher derivative methods: Applications to asymmetric and symmetric top and linear polyatomic molecules

Energy Technology Data Exchange (ETDEWEB)

Clabo, D.A. Jr.

1987-04-01

Inclusion of the anharmonicity normal mode vibrations (i.e., the third and fourth (and higher) derivatives of a molecular Born-Oppenheimer potential energy surface) is necessary in order to theoretically reproduce experimental fundamental vibrational frequencies of a molecule. Although ab initio determinations of harmonic vibrational frequencies may give errors of only a few percent by the inclusion of electron correlation within a large basis set for small molecules, in general, molecular fundamental vibrational frequencies are more often available from high resolution vibration-rotation spectra. Recently developed analytic third derivatives methods for self-consistent-field (SCF) wavefunctions have made it possible to examine with previously unavailable accuracy and computational efficiency the anharmonic force fields of small molecules.

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.

Simultaneous rotational and vibrational CARS generation through a multiple-frequency combination technique

International Nuclear Information System (INIS)

Alden, M.; Bengtsson, P.E.; Edner, H.

1987-01-01

One most promising laser technique for probing combustion processes is coherent anti-Stokes Raman scattering (CARS), which due to its coherent nature and signal strength is applied in several real-world applications. Until today almost all CARS experiments are based on probing the population of molecular vibrational energy levels. However, there are several reasons rotational CARS, i.e. probing of rotational energy levels, may provide a complement to or even a better choice than vibrational CARS. Recently an alternative way to produce rotational CARS spectra is proposed, which is based on a multiple-frequency combination technique. The energy-level diagram for this process is presented. Two dye laser beams at ω/sub r/, and one fix frequency laser beam at ω/sub g/ are employed. ω/sub r,1/ and ω/sub r,2/ are two frequencies of many possible pairs with a frequency difference matching a rotational transition in a molecule. The excitation induced by ω/sub r,1/ and ω/sub r,2/ is then scattered by the narrowband ω/sub g/ beam resulting in a CARS beam ω/sub g/ at ω/sub g/ + ω/sub r,1/ - ω/sub r,2/. An interesting feature with this technique is that it is possible to generate simultaneously a rotational and vibrational CARS spectrum by using a double-folded boxcars phase matching approach. The authors believe that the proposed technique for producing rotational and vibration CARS spectra could be of interest, e.g., when measuring in highly turbulent flows. In this case the rotational CARS spectra could use for temperature measurements in the cooler parts, whereas vibrational CARS are to be preferred when measuring in the hotter parts

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

Vibration-rotational overtones absorption of solid hydrogens using optoacoustic spectroscopy technique

International Nuclear Information System (INIS)

Vieira, M.M.F.

1985-01-01

Vibrational-rotational overtones absorption solid hydrogens (H 2 , D 2 , HD) is studied using pulsed laser piezoeletric transducer (PULPIT) optoacoustic spectroscopy is studied. A general downward shift in energy from isolated molecular energies is observed. Studying normal-hydrogen it was observed that the phonon excitations associated with double-molecular transitions are predominantly transverse-optical phonons, whereas the excitations associated with single-molecular transitions are predominantly longitudinal - optical phonons. Multiplet structures were observed for certain double transitions in parahydrogen and orthodeuterium. The HD spectrum, besides presenting the sharp zero-phonon lines and the associated phonon side bands, like H 2 and D 2 , showed also two different features. This observation was common to all the transitions involving pure rotational excitation in H 2 and D 2 , which showed broad linewidths. This, together with some other facts (fluorescence lifetime *approx*10 5 sec; weak internal vibration and lattice coupling), led to the proposition of a mechanism for the fast nonradiative relaxation in solid hydrogens, implied from some observed experimental evidences. This relaxation, due to strong coupling, would happen in two steps: the internal vibration modes would relax to the rotational modes of the molecules, and then this rotational modes would relax to the lattice vibration modes. (Author) [pt

Two-dimensional vibrational-electronic spectroscopy

Science.gov (United States)

Courtney, Trevor L.; Fox, Zachary W.; Slenkamp, Karla M.; Khalil, Munira

2015-10-01

Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE) to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (νCN) and either a ligand-to-metal charge transfer transition ([FeIII(CN)6]3- dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN)5FeIICNRuIII(NH3)5]- dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific νCN modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer in a wide range of complex molecular, material, and biological systems.

Two-dimensional vibrational-electronic spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Courtney, Trevor L.; Fox, Zachary W.; Slenkamp, Karla M.; Khalil, Munira, E-mail: mkhalil@uw.edu [Department of Chemistry, University of Washington, Box 351700, Seattle, Washington 98195 (United States)

2015-10-21

Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE) to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (ν{sub CN}) and either a ligand-to-metal charge transfer transition ([Fe{sup III}(CN){sub 6}]{sup 3−} dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN){sub 5}Fe{sup II}CNRu{sup III}(NH{sub 3}){sub 5}]{sup −} dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific ν{sub CN} modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer in a

Design and experimental investigation of a magnetically coupled vibration energy harvester using two inverted piezoelectric cantilever beams for rotational motion

International Nuclear Information System (INIS)

Zou, Hong-Xiang; Zhang, Wen-ming; Li, Wen-Bo; Wei, Ke-Xiang; Gao, Qiu-Hua; Peng, Zhi-Ke; Meng, Guang

2017-01-01

Highlights: • A magnetically coupled two-degree-of-freedom harvester for rotation is proposed. • The electromechanical coupling model is developed and validated experimentally. • The harvester can generate high voltage at low rotating speeds. • The harvester can harvest vibration energy in multiple frequency bands. - Abstract: Energy can be harvested from rotational motion for powering wireless autonomous electronic devices. The paper presents a magnetically coupled two-degree-of-freedom vibration energy harvester for rotary motion applications. The design consists of two inverted piezoelectric cantilever beams whose free ends point to the rotating shaft. The centrifugal force of the inverted cantilever beam is beneficial to producing large amplitude in a low speed range. The electromechanical coupling dynamical model is developed by the energy method from Hamilton’s principle and validated experimentally. The experimental results indicate that the presented harvester is suitable for low speed rotation and can harvest vibration energy in multiple frequency bands. The first and second resonant behaviors of voltage can be obtained at 420 r/min and 550 r/min, and the average output powers are 564 μW and 535.3 μW, respectively.

Rotation and rotation-vibration spectroscopy of the 0+-0- inversion doublet in deuterated cyanamide.

Science.gov (United States)

Kisiel, Zbigniew; Kraśnicki, Adam; Jabs, Wolfgang; Herbst, Eric; Winnewisser, Brenda P; Winnewisser, Manfred

2013-10-03

The pure rotation spectrum of deuterated cyanamide was recorded at frequencies from 118 to 649 GHz, which was complemented by measurement of its high-resolution rotation-vibration spectrum at 8-350 cm(-1). For D2NCN the analysis revealed considerable perturbations between the lowest Ka rotational energy levels in the 0(+) and 0(-) substates of the lowest inversion doublet. The final data set for D2NCN exceeded 3000 measured transitions and was successfully fitted with a Hamiltonian accounting for the 0(+) ↔ 0(-) coupling. A smaller data set, consisting only of pure rotation and rotation-vibration lines observed with microwave techniques was obtained for HDNCN, and additional transitions of this type were also measured for H2NCN. The spectroscopic data for all three isotopic species were fitted with a unified, robust Hamiltonian allowing confident prediction of spectra well into the terahertz frequency region, which is of interest to contemporary radioastronomy. The isotopic dependence of the determined inversion splitting, ΔE = 16.4964789(8), 32.089173(3), and 49.567770(6) cm(-1), for D2NCN, HDNCN, and H2NCN, respectively, is found to be in good agreement with estimates from a simple reduced quartic-quadratic double minimum potential.

Analytic vibration-rotational matrix elements for diatomic molecules

International Nuclear Information System (INIS)

Bouanich, J.P.

1987-01-01

The vibration-rotational matrix elements for infrared or Raman transitions vJ → v'J' of diatomic molecules are calculated for powers of the reduced displacement X from parameters of the Dunham potential-energy function. (orig.)

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.

Three-dimensional analytic probabilities of coupled vibrational-rotational-translational energy transfer for DSMC modeling of nonequilibrium flows

International Nuclear Information System (INIS)

Adamovich, Igor V.

2014-01-01

A three-dimensional, nonperturbative, semiclassical analytic model of vibrational energy transfer in collisions between a rotating diatomic molecule and an atom, and between two rotating diatomic molecules (Forced Harmonic Oscillator–Free Rotation model) has been extended to incorporate rotational relaxation and coupling between vibrational, translational, and rotational energy transfer. The model is based on analysis of semiclassical trajectories of rotating molecules interacting by a repulsive exponential atom-to-atom potential. The model predictions are compared with the results of three-dimensional close-coupled semiclassical trajectory calculations using the same potential energy surface. The comparison demonstrates good agreement between analytic and numerical probabilities of rotational and vibrational energy transfer processes, over a wide range of total collision energies, rotational energies, and impact parameter. The model predicts probabilities of single-quantum and multi-quantum vibrational-rotational transitions and is applicable up to very high collision energies and quantum numbers. Closed-form analytic expressions for these transition probabilities lend themselves to straightforward incorporation into DSMC nonequilibrium flow codes

Vibration Feature Extraction and Analysis for Fault Diagnosis of Rotating Machinery-A Literature Survey

Directory of Open Access Journals (Sweden)

Saleem Riaz

2017-02-01

Full Text Available Safety, reliability, efficiency and performance of rotating machinery in all industrial applications are the main concerns. Rotating machines are widely used in various industrial applications. Condition monitoring and fault diagnosis of rotating machinery faults are very important and often complex and labor-intensive. Feature extraction techniques play a vital role for a reliable, effective and efficient feature extraction for the diagnosis of rotating machinery. Therefore, developing effective bearing fault diagnostic method using different fault features at different steps becomes more attractive. Bearings are widely used in medical applications, food processing industries, semi-conductor industries, paper making industries and aircraft components. This paper review has demonstrated that the latest reviews applied to rotating machinery on the available a variety of vibration feature extraction. Generally literature is classified into two main groups: frequency domain, time frequency analysis. However, fault detection and diagnosis of rotating machine vibration signal processing methods to present their own limitations. In practice, most healthy ingredients faulty vibration signal from background noise and mechanical vibration signals are buried. This paper also reviews that how the advanced signal processing methods, empirical mode decomposition and interference cancellation algorithm has been investigated and developed. The condition for rotating machines based rehabilitation, prevent failures increase the availability and reduce the cost of maintenance is becoming necessary too. Rotating machine fault detection and diagnostics in developing algorithms signal processing based on a key problem is the fault feature extraction or quantification. Currently, vibration signal, fault detection and diagnosis of rotating machinery based techniques most widely used techniques. Furthermore, the researchers are widely interested to make automatic

Structural Characteristics of Rotate Vector Reducer Free Vibration

Directory of Open Access Journals (Sweden)

Chuan Chen

2017-01-01

Full Text Available For RV reducer widely used in robots, vibration significantly affects its performance. A lumped parameter model is developed to investigate free vibration characteristics without and with gyroscopic effects. The dynamic model considers key factors affecting vibration such as involute and cycloid gear mesh stiffness, crankshaft bending stiffness, and bearing stiffness. For both nongyroscopic and gyroscopic systems, free vibrations are examined and compared with each other. Results reveal the specific structure of vibration modes for both systems, which results from symmetry structure of RV reducer. According to vibration of the central components, vibration modes of two systems can be classified into three types, rotational, translational, and planetary component modes. Different from nongyroscopic system, the eigenvalues with gyroscopic effects are complex-valued and speed-dependent. The eigenvalue for a range of carrier speeds is obtained by numerical simulation. Divergence and flutter instability is observed at speeds adjacent to critical speeds. Furthermore, the work studies effects of key factors, which include crankshaft eccentricity and the number of pins, on eigenvalues. Finally, experiment is performed to verify the effectiveness of the dynamic model. The research of this paper is helpful for the analysis on free vibration and dynamic design of RV reducer.

Vibration of imperfect rotating disk

Directory of Open Access Journals (Sweden)

Půst L.

2011-12-01

Full Text Available This study is concerned with the theoretical and numerical calculations of the flexural vibrations of a bladed disk. The main focus of this study is to elaborate the basic background for diagnostic and identification methods for ascertaining the main properties of the real structure or an experimental model of turbine disks. The reduction of undesirable vibrations of blades is proposed by using damping heads, which on the experimental model of turbine disk are applied only on a limited number of blades. This partial setting of damping heads introduces imperfection in mass, stiffness and damping distribution on the periphery and leads to more complicated dynamic properties than those of a perfect disk. Calculation of FEM model and analytic—numerical solution of disk behaviour in the limited (two modes frequency range shows the splitting of resonance with an increasing speed of disk rotation. The spectrum of resonance is twice denser than that of a perfect disk.

Folding-type coupling potentials in the context of the generalized rotation-vibration model

Science.gov (United States)

Chamon, L. C.; Morales Botero, D. F.

2018-03-01

The generalized rotation-vibration model was proposed in previous works to describe the structure of heavy nuclei. The model was successfully tested in the description of experimental results related to the electron-nucleus elastic and inelastic scattering. In the present work, we consider heavy-ion collisions and assume this model to calculate folding-type coupling potentials for inelastic states, through the corresponding transition densities. As an example, the method is applied to coupled-channel data analyses for the α + 70,72,74,76Ge systems.

Vibrational spectroscopy in the electron microscope.

Science.gov (United States)

Krivanek, Ondrej L; Lovejoy, Tracy C; Dellby, Niklas; Aoki, Toshihiro; Carpenter, R W; Rez, Peter; Soignard, Emmanuel; Zhu, Jiangtao; Batson, Philip E; Lagos, Maureen J; Egerton, Ray F; Crozier, Peter A

2014-10-09

Vibrational spectroscopies using infrared radiation, Raman scattering, neutrons, low-energy electrons and inelastic electron tunnelling are powerful techniques that can analyse bonding arrangements, identify chemical compounds and probe many other important properties of materials. The spatial resolution of these spectroscopies is typically one micrometre or more, although it can reach a few tens of nanometres or even a few ångströms when enhanced by the presence of a sharp metallic tip. If vibrational spectroscopy could be combined with the spatial resolution and flexibility of the transmission electron microscope, it would open up the study of vibrational modes in many different types of nanostructures. Unfortunately, the energy resolution of electron energy loss spectroscopy performed in the electron microscope has until now been too poor to allow such a combination. Recent developments that have improved the attainable energy resolution of electron energy loss spectroscopy in a scanning transmission electron microscope to around ten millielectronvolts now allow vibrational spectroscopy to be carried out in the electron microscope. Here we describe the innovations responsible for the progress, and present examples of applications in inorganic and organic materials, including the detection of hydrogen. We also demonstrate that the vibrational signal has both high- and low-spatial-resolution components, that the first component can be used to map vibrational features at nanometre-level resolution, and that the second component can be used for analysis carried out with the beam positioned just outside the sample--that is, for 'aloof' spectroscopy that largely avoids radiation damage.

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).

Noncontact measurement of rotating blade vibrations. Doyoku shindo no hisesshoku keisokuho no kenkyu

Energy Technology Data Exchange (ETDEWEB)

Matsuda, Yukio; Endo, Masanori; Sugiyama, Nanahisa; Koshinuma, Takeshi

1989-08-01

The noncontact measurement method of rotating blade vibrations was developed for fans, compressors and turbines, and applied to turbofan engines and industrial gas turbines. The method required no machining of blades and rotor except sensors attached to a casing to detect blade-tips. The method allowed to measure simultaneously the vibration of all blades, by measuring elapsed times of blade-tips rotating from a measuring start point to a detecting point, and detecting the time differences between a vibration and non-vibration condition. The measuring system was composed of the detectors and subsystems for signal processing, control, calculation and display. The vibration wave forms of a few blades and the maximum vibration amplitudes of all the blades were displayed on a realtime basis in an on-line monitoring mode, and an off-line data processing mode was also available for subsequent analyses and reviews. The results of application to existing engines favorably agreed with those of strain gage measurements. 16 refs., 75 figs., 3 tabs.

Electron scattering by CO2: Elastic scattering, rotational excitation, and excitation of the asymmetric stretch at 10 eV impact energy

International Nuclear Information System (INIS)

Thirumalai, D.; Onda, K.; Truhlar, D.G.

1981-01-01

Coupled-channels calculations based on an effective potential are presented for electron scattering by CO 2 at 10 eV impact energy. The processes studied are pure elastic scattering, rotational excitation, and vibrational excitation of the asymmetric stretch; the vibrational excitation is always accompanied by rotational excitation. The quantities calculated are differential, partial, integral, and momentum transfer cross sections, both state to state and summed over final rotational states for a given final vibrational level. The effective potential is based on the INDOX2/1s method for the static and polarization potentials and the semiclassical exchange approximation for the exchange potential. There are no empirical parameters. The present calculations are compared to experiment and to previous calculations where available, and we also perform calculations with an altered polarization potential to further elucidate the reasons for the differences from one of the previous calculations. The agreement of the present results with the experimental rotationally summed, vibrationally inelastic differential cross section is excellent

INTERPRETATION OF INFRARED VIBRATION-ROTATION SPECTRA OF INTERSTELLAR AND CIRCUMSTELLAR MOLECULES

International Nuclear Information System (INIS)

Lacy, John H.

2013-01-01

Infrared vibration-rotation lines can be valuable probes of interstellar and circumstellar molecules, especially symmetric molecules, which have no pure rotational transitions. But most such observations have been interpreted with an isothermal absorbing slab model, which leaves out important radiative transfer and molecular excitation effects. A more realistic non-LTE and non-isothermal radiative transfer model has been constructed. The results of this model are in much better agreement with the observations, including cases where lines in one branch of a vibration-rotation band are in absorption and another in emission. In general, conclusions based on the isothermal absorbing slab model can be very misleading, but the assumption of LTE may not lead to such large errors, particularly if the radiation field temperature is close to the gas temperature.

Vibration properties of a rotating piezoelectric energy harvesting device that experiences gyroscopic effects

Science.gov (United States)

Lu, Haohui; Chai, Tan; Cooley, Christopher G.

2018-03-01

This study investigates the vibration of a rotating piezoelectric device that consists of a proof mass that is supported by elastic structures with piezoelectric layers. Vibration of the proof mass causes deformation in the piezoelectric structures and voltages to power the electrical loads. The coupled electromechanical equations of motion are derived using Newtonian mechanics and Kirchhoff's circuit laws. The free vibration behavior is investigated for devices with identical (tuned) and nonidentical (mistuned) piezoelectric support structures and electrical loads. These devices have complex-valued, speed-dependent eigenvalues and eigenvectors as a result of gyroscopic effects caused by their constant rotation. The characteristics of the complex-valued eigensolutions are related to physical behavior of the device's vibration. The free vibration behaviors differ significantly for tuned and mistuned devices. Due to gyroscopic effects, the proof mass in the tuned device vibrates in either forward or backward decaying circular orbits in single-mode free response. This is proven analytically for all tuned devices, regardless of the device's specific parameters or operating speed. For mistuned devices, the proof mass has decaying elliptical forward and backward orbits. The eigenvalues are shown to be sensitive to changes in the electrical load resistances. Closed-form solutions for the eigenvalues are derived for open and close circuits. At high rotation speeds these devices experience critical speeds and instability.

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

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.

Analysis of rotation-vibration relative equilibria on the example of a tetrahedral four atom molecule

NARCIS (Netherlands)

Efstathiou, K; Sadovskii, DA; Zhilinskii, BI

2004-01-01

We study relative equilibria ( RE) of a nonrigid molecule, which vibrates about a well-defined equilibrium configuration and rotates as a whole. Our analysis unifies the theory of rotational and vibrational RE. We rely on the detailed study of the symmetry group action on the initial and reduced

Resonant vibrations and acoustic radiation of rotating spherical structures.

CSIR Research Space (South Africa)

Shatalov, M

2006-07-01

Full Text Available involved into rotation (precession) with respect to the inertial space with scale factors depending on nature of elastic modes and their numbers. Corresponding scales factors or Bryan’s factors of the vibrating mode’s precession are calculated depending...

PGOPHER: A program for simulating rotational, vibrational and electronic spectra

Science.gov (United States)

Western, Colin M.

2017-01-01

The PGOPHER program is a general purpose program for simulating and fitting molecular spectra, particularly the rotational structure. The current version can handle linear molecules, symmetric tops and asymmetric tops and many possible transitions, both allowed and forbidden, including multiphoton and Raman spectra in addition to the common electric dipole absorptions. Many different interactions can be included in the calculation, including those arising from electron and nuclear spin, and external electric and magnetic fields. Multiple states and interactions between them can also be accounted for, limited only by available memory. Fitting of experimental data can be to line positions (in many common formats), intensities or band contours and the parameters determined can be level populations as well as rotational constants. PGOPHER is provided with a powerful and flexible graphical user interface to simplify many of the tasks required in simulating, understanding and fitting molecular spectra, including Fortrat diagrams and energy level plots in addition to overlaying experimental and simulated spectra. The program is open source, and can be compiled with open source tools. This paper provides a formal description of the operation of version 9.1.

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

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.

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.)

Vibration-resistant Er-doped superfluorescent fiber source incorporating a Faraday rotator mirror

Science.gov (United States)

Zhang, Enkang; Yang, Liu; Gao, Zhongxing; Xue, Bing; Zhang, Yonggang

2018-04-01

Improvement in the mean wavelength vibration stability is crucial to the realization of a high-precision fiber-optic gyroscope. We design a vibration-resistant Er-doped superfluorescent fiber source (VR-EDSFS) incorporated with a Faraday rotator mirror and compare it with the conventional Er-doped superfluorescent fiber source (ED-SFS) under different vibration conditions. As shown by experimental results, the mean wavelength vibration stability of the VR-EDSFS is much better than that of the conventional ED-SFS. Under the 1000 to 2000 Hz vibration condition, the former is just 3.4 ppm, which is about 7 ppm less than the latter over 2 h.

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

The role of electron-impact vibrational excitation in electron transport through gaseous tetrahydrofuran

Energy Technology Data Exchange (ETDEWEB)

Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Do, T. P. T. [School of Education, Can Tho University, Campus II, 3/2 Street, Xuan Khanh, Ninh Kieu, Can Tho City (Viet Nam); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Konovalov, D. A.; White, R. D. [College of Science, Technology and Engineering, James Cook University, Townsville (Australia); Brunger, M. J., E-mail: michael.brunger@flinders.edu.au, E-mail: darryl.jones@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia); Jones, D. B., E-mail: michael.brunger@flinders.edu.au, E-mail: darryl.jones@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia)

2015-03-28

In this paper, we report newly derived integral cross sections (ICSs) for electron impact vibrational excitation of tetrahydrofuran (THF) at intermediate impact energies. These cross sections extend the currently available data from 20 to 50 eV. Further, they indicate that the previously recommended THF ICS set [Garland et al., Phys. Rev. A 88, 062712 (2013)] underestimated the strength of the electron-impact vibrational excitation processes. Thus, that recommended vibrational cross section set is revised to address those deficiencies. Electron swarm transport properties were calculated with the amended vibrational cross section set, to quantify the role of electron-driven vibrational excitation in describing the macroscopic swarm phenomena. Here, significant differences of up to 17% in the transport coefficients were observed between the calculations performed using the original and revised cross section sets for vibrational excitation.

Vibrational frame transformation for electron-molecule scattering

International Nuclear Information System (INIS)

Greene, C.H.; Jungen, C.

1985-01-01

The frame-transformation theory of electron interaction with a vibrating diatomic core is extended to allow for energy dependence of its parameters. The Born-Oppenheimer separation of electron and nuclear motion is preserved when the electron penetrates the molecular core. The extended theory reproduces the boomerang-model treatment of vibrational excitation in resonant e-N 2 collisions

Simultaneous analysis of rotational and vibrational-rotational spectra of DF and HF to obtain irreducible molecular constants for HF

International Nuclear Information System (INIS)

Horiai, Koui; Uehara, Hiromichi

2011-01-01

Graphical abstract: Available rotational and vibrational-rotational spectral lines of DF and HF are analyzed simultaneously using a non-Born-Oppenheimer effective Hamiltonian. Research highlights: → Simultaneous analysis of DF and HF spectral data. → Application of a non-Born-Oppenheimer effective Hamiltonian. → Twenty irreducible molecular constants for HF have been determined. - Abstract: Analytic expressions of corrections for the breakdown of the Born-Oppenheimer approximation to Dunham's Y ij with optimal parameters, i.e., determinable clusters of expansion coefficients, are applied to a data analysis of the rotational and vibrational-rotational transitions of HF reported in the literature. All the available spectral lines of the two isotopologues, DF and HF, are simultaneously fitted to a single set of molecular parameters of HF within experimental errors. Fitting of a data set of 595 spectral transitions for DF and HF has generated only 20 minimal independent parameter values, i.e., 'irreducible' molecular constants of HF, that are sufficient to precisely generate 82 Y ij coefficients and 144 band constants in total: 41 Y ij and 72 band constants each for DF and HF.

Vibrationally coupled electron transport through single-molecule junctions

Energy Technology Data Exchange (ETDEWEB)

Haertle, Rainer

2012-04-26

Single-molecule junctions are among the smallest electric circuits. They consist of a molecule that is bound to a left and a right electrode. With such a molecular nanocontact, the flow of electrical currents through a single molecule can be studied and controlled. Experiments on single-molecule junctions show that a single molecule carries electrical currents that can even be in the microampere regime. Thereby, a number of transport phenomena have been observed, such as, for example, diode- or transistor-like behavior, negative differential resistance and conductance switching. An objective of this field, which is commonly referred to as molecular electronics, is to relate these transport phenomena to the properties of the molecule in the contact. To this end, theoretical model calculations are employed, which facilitate an understanding of the underlying transport processes and mechanisms. Thereby, one has to take into account that molecules are flexible structures, which respond to a change of their charge state by a profound reorganization of their geometrical structure or may even dissociate. It is thus important to understand the interrelation between the vibrational degrees of freedom of a singlemolecule junction and the electrical current flowing through the contact. In this thesis, we investigate vibrational effects in electron transport through singlemolecule junctions. For these studies, we calculate and analyze transport characteristics of both generic and first-principles based model systems of a molecular contact. To this end, we employ a master equation and a nonequilibrium Green's function approach. Both methods are suitable to describe this nonequilibrium transport problem and treat the interactions of the tunneling electrons on the molecular bridge non-perturbatively. This is particularly important with respect to the vibrational degrees of freedom, which may strongly interact with the tunneling electrons. We show in detail that the resulting

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

Translational, rotational and vibrational temperatures of a gliding arc discharge at atmospheric pressure air

DEFF Research Database (Denmark)

Zhu, Jiajian; Gao, Jinlong; Ehn, Andreas

2014-01-01

and vibrational temperatures of a gliding arc generated at atmospheric pressure air are investigated. Translational temperatures (about 1100 K) were measured by laser-induced Rayleigh scattering, and two-dimensional temperature imaging was performed. Rotational and vibrational temperatures (about 3600 K and 6700...

WAVELETS AND PRINCIPAL COMPONENT ANALYSIS METHOD FOR VIBRATION MONITORING OF ROTATING MACHINERY

OpenAIRE

Bendjama, Hocine; S. Boucherit, Mohamad

2017-01-01

Fault diagnosis is playing today a crucial role in industrial systems. To improve reliability, safety and efficiency advanced monitoring methods have become increasingly important for many systems. The vibration analysis method is essential in improving condition monitoring and fault diagnosis of rotating machinery. Effective utilization of vibration signals depends upon effectiveness of applied signal processing techniques. In this paper, fault diagnosis is performed using a com...

Identification of forbidden vibration-rotation transitions in 15NH3

Science.gov (United States)

Urban, Š.; D'Cunha, Romola; Narahari Rao, K.

1984-07-01

Forbidden Δk - l = 3 vibration-rotation transitions have been observed in the ν4 band of 15NH3. The analysis of these transitions, together with previously published data on the allowed transitions, has made it possible to determine a set of molecular parameters, including for the first time the rotational constant C as well as the centrifugal distortion constants DK and HKKK, which are necessary for the calculation of energy levels. Some weak forbidden transitions in the ν2 band have also been observed.

Theoretical resonant electron-impact vibrational excitation, dissociative recombination and dissociative excitation cross sections of ro-vibrationally excited BeH"+ ion

International Nuclear Information System (INIS)

Laporta, V.; Chakrabarti, K.; Celiberto, R.; Janev, R. K.; Mezei, J. Zs.; Niyonzima, S.; Tennyson, J.; Schneider, I.F.

2017-01-01

A theoretical study of resonant vibrational excitation, dissociative recombination and dissociative excitation processes of the beryllium monohydride cation, BeH"+ , induced by electron impact, is reported. Full sets of ro-vibrationally-resolved cross sections and of the corresponding Maxwellian rate coefficients are presented for the three processes. Particular emphasis is given to the high-energy behaviour. Potential curves of "2σ"+, "2σ and "2δ symmetries and the corresponding resonance widths, obtained from R-matrix calculations, provide the input for calculations which use a local complex-potential model for resonant collisions in each of the three symmetries. Rotational motion of nuclei and isotopic effects are also discussed. The relevant results are compared with those obtained using a multichannel quantum defect theory method. Full results are available from the Phys4Entry database.

Simultaneous acquisition of pure rotational and vibrational nitrogen spectra using three-laser CARS

International Nuclear Information System (INIS)

Lucht, R.P.; Maris, M.A.

1987-01-01

The author used three-laser coherent anti-Stokes Raman scattering to acquire simultaneously the pure rotational and vibrational spectra from the nitrogen molecule. The energy level schematic for the three-laser CARS process is shown in this paper. Frequency-doubled Nd:YAG laser radiation at frequency ω/sub 1/ is used to pump a broadband dye laser which lasers at a range of frequencies ω/sub s/ and a narrowband dye laser with frequency ω/sub 2/. The three-beams are focused to a common CARS probe volume using a three-dimensional phase-matching geometry. A CARS polarization is established when the frequency difference ω/sub 1/ - ω/sub s/ corresponds to a vibrational Raman resonance. The vibrational polarization scatters the incident ω/sub 2/ beam to produce anti-Stokes radiation at frequency ω/sub 1/ - ω/sub s/ + ω/sub 2/. In a similar fashion, a CARS polarization is also established when the frequency difference ω/sub 2/ - ω/sub s/ is equal to a pure rotational Raman resonance. The pure rotational polarization scatters the Nd:YAG laser radiation at ω/sub 1/ to produce anti-Stokes radiation at ω/sub 2/ - ω/sub s/ + ω/sub 1/

Global Multi-isotopologue fit of measured rotation and vibration-rotation line positions of CO in X1Σ+ state and new set of mass-independent Dunham coefficients

International Nuclear Information System (INIS)

Velichko, T.I.; Mikhailenko, S.N.; Tashkun, S.A.

2012-01-01

A set of mass-independent U mj and Δ mj parameters globally describing vibration-rotation energy levels of the CO molecule in the X 1 Σ + ground electronic state was fitted to more than 19,000 transitions of 12 C 16 O, 13 C 16 O, 14 C 16 O, 12 C 17 O, 13 C 17 O, 12 C 18 O, and 13 C 18 O isotopologues collected from the literature. The maximal values of the vibrational V and the rotational J quantum numbers included in the fit was 41 and 128, respectively. The weighted standard deviation of the fit is .66. Fitted parameters were used for calculation of Dunham coefficients Y mj for nine isotopologues 12 C 16 O, 13 C 16 O, 14 C 16 O, 12 C 17 O, 13 C 17 O, 14 C 17 O, 12 C 18 O, 13 C 18 O, and 14 C 18 O. Calculated transition frequencies based on the fitted parameters were compared with previously reported. A critical analysis of the CO HITRAN and HITEMP data is also presented.

Vibration of rotating-shaft design spindles with flexible bases

Science.gov (United States)

Tseng, Chaw-Wu

The purpose of this study is to demonstrate an accurate mathematical model predicting forced vibration of rotating-shaft HDD spindle motors with flexible stationary parts. The mathematical model consists of three parts: a rotating part, a stationary part, and bearings. The rotating part includes a flexible hub, a flexible shaft press-fit into the hub, and N elastic disks mounted on the hub. The stationary part can include motor bracket (stator), base casting, and top cover. The bearings under consideration can be ball bearings or hydrodynamic bearings (HDB). The rotating disks are modelled through the classical plate theory. The rotating part (except the disks) and the stationary part are modelled through finite element analyses (FEA). With mode shapes and natural frequencies obtained from FEA, the kinetic and potential energies of the rotating and stationary parts are formulated and discretized to compensate for the gyroscopic effects from rotation. Finally, use of Lagrange equation results in the equations of motion. To verify the mathematical model, frequency response functions are measured experimentally for an HDB spindle carrying two identical disks at motor and drive levels. Experimental measurements agree very well with theoretical predictions not only in resonance frequency but also in resonance amplitude.

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.

Fault Diagnosis for Rotating Machinery Using Vibration Measurement Deep Statistical Feature Learning

Directory of Open Access Journals (Sweden)

Chuan Li

2016-06-01

Full Text Available Fault diagnosis is important for the maintenance of rotating machinery. The detection of faults and fault patterns is a challenging part of machinery fault diagnosis. To tackle this problem, a model for deep statistical feature learning from vibration measurements of rotating machinery is presented in this paper. Vibration sensor signals collected from rotating mechanical systems are represented in the time, frequency, and time-frequency domains, each of which is then used to produce a statistical feature set. For learning statistical features, real-value Gaussian-Bernoulli restricted Boltzmann machines (GRBMs are stacked to develop a Gaussian-Bernoulli deep Boltzmann machine (GDBM. The suggested approach is applied as a deep statistical feature learning tool for both gearbox and bearing systems. The fault classification performances in experiments using this approach are 95.17% for the gearbox, and 91.75% for the bearing system. The proposed approach is compared to such standard methods as a support vector machine, GRBM and a combination model. In experiments, the best fault classification rate was detected using the proposed model. The results show that deep learning with statistical feature extraction has an essential improvement potential for diagnosing rotating machinery faults.

Fault Diagnosis for Rotating Machinery Using Vibration Measurement Deep Statistical Feature Learning.

Science.gov (United States)

Li, Chuan; Sánchez, René-Vinicio; Zurita, Grover; Cerrada, Mariela; Cabrera, Diego

2016-06-17

Fault diagnosis is important for the maintenance of rotating machinery. The detection of faults and fault patterns is a challenging part of machinery fault diagnosis. To tackle this problem, a model for deep statistical feature learning from vibration measurements of rotating machinery is presented in this paper. Vibration sensor signals collected from rotating mechanical systems are represented in the time, frequency, and time-frequency domains, each of which is then used to produce a statistical feature set. For learning statistical features, real-value Gaussian-Bernoulli restricted Boltzmann machines (GRBMs) are stacked to develop a Gaussian-Bernoulli deep Boltzmann machine (GDBM). The suggested approach is applied as a deep statistical feature learning tool for both gearbox and bearing systems. The fault classification performances in experiments using this approach are 95.17% for the gearbox, and 91.75% for the bearing system. The proposed approach is compared to such standard methods as a support vector machine, GRBM and a combination model. In experiments, the best fault classification rate was detected using the proposed model. The results show that deep learning with statistical feature extraction has an essential improvement potential for diagnosing rotating machinery faults.

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.

System Detects Vibrational Instabilities

Science.gov (United States)

Bozeman, Richard J., Jr.

1990-01-01

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

Magnetostrictive patch sensor system for battery-less real-time measurement of torsional vibrations of rotating shafts

Science.gov (United States)

Lee, Jun Kyu; Seung, Hong Min; Park, Chung Il; Lee, Joo Kyung; Lim, Do Hyeong; Kim, Yoon Young

2018-02-01

Real-time uninterrupted measurement for torsional vibrations of rotating shafts is crucial for permanent health monitoring. So far, strain gauge systems with telemetry units have been used for real-time monitoring. However, they have a critical disadvantage in that shaft operations must be stopped intermittently to replace telemetry unit batteries. To find an alternative method to carry out battery-less real-time measurement for torsional vibrations of rotating shafts, a magnetostrictive patch sensor system was proposed in the present study. Since the proposed sensor does not use any powered telemetry system, no battery is needed and thus there is no need to stop rotating shafts for battery replacement. The proposed sensor consists of magnetostrictive patches and small magnets tightly bonded onto a shaft. A solenoid coil is placed around the shaft to convert magnetostrictive patch deformation by shaft torsional vibration into electric voltage output. For sensor design and characterization, investigations were performed in a laboratory on relatively small-sized stationary solid shaft. A magnetostrictive patch sensor system was then designed and installed on a large rotating propulsion shaft of an LPG carrier ship in operation. Vibration signals were measured using the proposed sensor system and compared to those measured with a telemetry unit-equipped strain gauge system.

Molecular vibration-rotation spectra starting from the Fues potential

International Nuclear Information System (INIS)

Ley Koo, E.

1976-01-01

The solution of Schroedinger's equation for the Fues potential is analyzed and compared with the corresponding problems for the Coulomb, harmonic oscillator and molecular potentials. These comparisons allow us to emphasize certain pedagogical, conceptual and computational advantages of the Fues potential which make it a favorable alternative as the starting point in the analysis of molecular vibration-rotation and in the determination of potential energy curves. (author)

Fluorescent vibration-rotation excitation of cometary C2

International Nuclear Information System (INIS)

Gredel, R.; Van Dishoeck, E.F.; Black, J.H.

1989-01-01

The statistical equilibrium equations that determine the population densities of the energy levels in cometary C2 molecules due to fluorescent excitation are examined in detail. The adopted model and molecular parameters are discussed, and a theoretical estimate is made of the two intercombination transition moments. From the theoretical population densities in the various rotational levels, flux ratios and synthetic emission profiles are calculated as functions of the a 3Pi(u) - X 1Sigma(g)+ and the c 3Sigma(u)+ - X 3Sigma(g)+ intercombination transition moments. The influence of each of these two transitions separately on the vibrational and rotational excitation temperatures is investigated. The observed emission spectra of the (0,0) Swan band in Comet Halley are presented and compared to the synthetic profiles. 70 references

Fluorescent vibration-rotation excitation of cometary C2

Science.gov (United States)

Gredel, Roland; Van Dishoeck, Ewine F.; Black, John H.

1989-01-01

The statistical equilibrium equations that determine the population densities of the energy levels in cometary C2 molecules due to fluorescent excitation are examined in detail. The adopted model and molecular parameters are discussed, and a theoretical estimate is made of the two intercombination transition moments. From the theoretical population densities in the various rotational levels, flux ratios and synthetic emission profiles are calculated as functions of the a 3Pi(u) - X 1Sigma(g)+ and the c 3Sigma(u)+ - X 3Sigma(g)+ intercombination transition moments. The influence of each of these two transitions separately on the vibrational and rotational excitation temperatures is investigated. The observed emission spectra of the (0,0) Swan band in Comet Halley are presented and compared to the synthetic profiles.

Self-Tuning Vibration Control of a Rotational Flexible Timoshenko Arm Using Neural Networks

Directory of Open Access Journals (Sweden)

Minoru Sasaki

2012-01-01

Full Text Available A self-tuning vibration control of a rotational flexible arm using neural networks is presented. To the self-tuning control system, the control scheme consists of gain tuning neural networks and a variable-gain feedback controller. The neural networks are trained so as to make the root moment zero. In the process, the neural networks learn the optimal gain of the feedback controller. The feedback controller is designed based on Lyapunov's direct method. The feedback control of the vibration of the flexible system is derived by considering the time rate of change of the total energy of the system. This approach has the advantage over the conventional methods in the respect that it allows one to deal directly with the system's partial differential equations without resorting to approximations. Numerical and experimental results for the vibration control of a rotational flexible arm are discussed. It verifies that the proposed control system is effective at controlling flexible dynamical systems.

Efficient forced vibration reanalysis method for rotating electric machines

Science.gov (United States)

Saito, Akira; Suzuki, Hiromitsu; Kuroishi, Masakatsu; Nakai, Hideo

2015-01-01

Rotating electric machines are subject to forced vibration by magnetic force excitation with wide-band frequency spectrum that are dependent on the operating conditions. Therefore, when designing the electric machines, it is inevitable to compute the vibration response of the machines at various operating conditions efficiently and accurately. This paper presents an efficient frequency-domain vibration analysis method for the electric machines. The method enables the efficient re-analysis of the vibration response of electric machines at various operating conditions without the necessity to re-compute the harmonic response by finite element analyses. Theoretical background of the proposed method is provided, which is based on the modal reduction of the magnetic force excitation by a set of amplitude-modulated standing-waves. The method is applied to the forced response vibration of the interior permanent magnet motor at a fixed operating condition. The results computed by the proposed method agree very well with those computed by the conventional harmonic response analysis by the FEA. The proposed method is then applied to the spin-up test condition to demonstrate its applicability to various operating conditions. It is observed that the proposed method can successfully be applied to the spin-up test conditions, and the measured dominant frequency peaks in the frequency response can be well captured by the proposed approach.

Rotational spectroscopy with an optical centrifuge.

Science.gov (United States)

Korobenko, Aleksey; Milner, Alexander A; Hepburn, John W; Milner, Valery

2014-03-07

We demonstrate a new spectroscopic method for studying electronic transitions in molecules with extremely broad range of angular momentum. We employ an optical centrifuge to create narrow rotational wave packets in the ground electronic state of (16)O2. Using the technique of resonance-enhanced multi-photon ionization, we record the spectrum of multiple ro-vibrational transitions between X(3)Σg(-) and C(3)Πg electronic manifolds of oxygen. Direct control of rotational excitation, extending to rotational quantum numbers as high as N ≳ 120, enables us to interpret the complex structure of rotational spectra of C(3)Πg beyond thermally accessible levels.

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.

A microscopic derivation of nuclear collective rotation-vibration model and its application to nuclei

Energy Technology Data Exchange (ETDEWEB)

Gulshani, P., E-mail: matlap@bell.net [NUTECH Services, 3313 Fenwick Crescent, Mississauga, Ontario, L5L 5N1 (Canada)

2016-07-07

We derive a microscopic version of the successful phenomenological hydrodynamic model of Bohr-Davydov-Faessler-Greiner for collective rotation-vibration motion of an axially symmetric deformed nucleus. The derivation is not limited to small oscillation amplitude. The nuclear Schrodinger equation is canonically transformed to collective co-ordinates, which is then linearized using a constrained variational method. The associated constraints are imposed on the wavefunction rather than on the particle co-ordinates. The approach yields three self-consistent, time-reversal invariant, cranking-type Schrodinger equations for the rotation-vibration and intrinsic motions, and a self-consistency equation. For harmonic oscillator mean-field potentials, these equations are solved in closed forms for excitation energy, cut-off angular momentum, and other nuclear properties for the ground-state rotational band in some deformed nuclei. The results are compared with measured data.

Nonlinear modeling of tuned liquid dampers (TLDs) in rotating wind turbine blades for damping edgewise vibrations

DEFF Research Database (Denmark)

Zhang, Zili; Nielsen, Søren R. K.; Basu, Biswajit

2015-01-01

Tuned liquid dampers (TLDs) utilize the sloshing motion of the fluid to suppress structural vibrations and become a natural candidate for damping vibrations in rotating wind turbine blades. The centrifugal acceleration at the tip of a wind turbine blade can reach a magnitude of 7–8g. This facilit......Tuned liquid dampers (TLDs) utilize the sloshing motion of the fluid to suppress structural vibrations and become a natural candidate for damping vibrations in rotating wind turbine blades. The centrifugal acceleration at the tip of a wind turbine blade can reach a magnitude of 7–8g...... free-surface elevation equally well, the one-mode model can still be utilized for the design of TLD. Parametric optimization of the TLD is carried out based on the one-mode model, and the optimized damper effectively improves the dynamic response of wind turbine blades....

Vibrational polarizabilities of hydrogen-bonded water

International Nuclear Information System (INIS)

Torii, Hajime

2013-01-01

Highlights: ► Vibrational polarizabilities of hydrogen-bonded water are analyzed theoretically. ► Total vibrational polarizability is (at least) comparable to the electronic one. ► Molecular translations contribute to the vibrational polarizability below 300 cm −1 . ► Intermolecular charge fluxes along H bonds are induced by molecular translations. ► The results are discussed in relation to the observed dielectric properties. - Abstract: The vibrational polarizabilities and the related molecular properties of hydrogen-bonded water are analyzed theoretically, taking the case of (water) 30 clusters as an example case. It is shown that some off-diagonal dipole derivatives are large for the translations of incompletely hydrogen-bonded molecules, and this is reasonably explained by the scheme of intermolecular charge fluxes induced along hydrogen bonds. In total, because of these intermolecular charge fluxes, molecular translations give rise to the vibrational polarizability of 2.8–3.3 a 0 3 per molecule, which is as large as about 40% of the electronic polarizability, mainly in the frequency region below 300 cm −1 . Adding the contributions of the molecular rotations (librations) and the translation–rotation cross term, the total polarizability (electronic + vibrational) at ∼100 cm −1 is slightly larger than the double of that at >4000 cm −1 . The relation of these results to some observed time- and frequency-dependent dielectric properties of liquid water is briefly discussed

Free vibration analysis of a multiple rotating nano-beams system based on the Eringen nonlocal elasticity theory

Energy Technology Data Exchange (ETDEWEB)

Ghafarian, M.; Ariaei, A., E-mail: ariaei@eng.ui.ac.ir [Department of Mechanical Engineering, Faculty of Engineering, University of Isfahan, Isfahan (Iran, Islamic Republic of)

2016-08-07

The free vibration analysis of a multiple rotating nanobeams' system applying the nonlocal Eringen elasticity theory is presented. Multiple nanobeams' systems are of great importance in nano-optomechanical applications. At nanoscale, the nonlocal effects become non-negligible. According to the nonlocal Euler-Bernoulli beam theory, the governing partial differential equations are derived by incorporating the nonlocal scale effects. Assuming a structure of n parallel nanobeams, the vibration of the system is described by a coupled set of n partial differential equations. The method involves a change of variables to uncouple the equations and the differential transform method as an efficient mathematical technique to solve the nonlocal governing differential equations. Then a number of parametric studies are conducted to assess the effect of the nonlocal scaling parameter, rotational speed, boundary conditions, hub radius, and the stiffness coefficients of the elastic interlayer media on the vibration behavior of the coupled rotating multiple-carbon-nanotube-beam system. It is revealed that the bending vibration of the system is significantly influenced by the rotational speed, elastic mediums, and the nonlocal scaling parameters. This model is validated by comparing the results with those available in the literature. The natural frequencies are in a reasonably good agreement with the reported results.

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

Monitoring of Rotor-Stator Interaction in Pump-Turbine Using Vibrations Measured with On-Board Sensors Rotating with Shaft

Directory of Open Access Journals (Sweden)

Cristian G. Rodriguez

2014-01-01

Full Text Available Current trends in design of pump-turbines have led into higher rotor-stator interaction (RSI loads over impeller-runner. These dynamic loads are of special interest having produced catastrophic failures in pump-turbines. Determining RSI characteristics facilitates the proposal of actions that will prevent these failures. Pressure measurements all around the perimeter of the impeller-runner are appropriate to monitor and detect RSI characteristics. Unfortunately most installed pump-turbines are not manufactured with in-built pressure sensors in appropriate positions to monitor RSI. For this reason, vibration measurements are the preferred method to monitor RSI in industry. Usually vibrations are measured in two perpendicular radial directions in bearings where valuable information could be lost due to bearing response. In this work, in order to avoid the effect of bearing response on measurement, two vibration sensors are installed rotating with the shaft. The RSI characteristics obtained with pressure measurements were compared to those determined using vibration measurements. The RSI characteristics obtained with pressure measurements were also determined using vibrations measured rotating with shaft. These RSI characteristics were not possible to be determined using the vibrations measured in guide bearing. Finally, it is recommended to measure vibrations rotating with shaft to detect RSI characteristics in installed pump-turbines as a more practical and reliable method to monitor RSI characteristics.

Supervision of the vibration of rotating components

International Nuclear Information System (INIS)

1982-06-01

The aim of the investifation was to plead for the systematization and uniformity of surveillance and to form a source of information to the makers of instruments, suppliers of engines, consultants and others. Two essential topics are treated, namely rotor dynamics and measuring methods for vibration control. An inventory of damages and problems of rotating machinery is presented. Recommendations concerning various supervision programs of reactor safety, the importance of components, risk of missiles and erroreous operations are given along with instructions how to get hold of suitable instruments. Experience from nuclear power plants is said to be essential. Experimental activity at Ringhals and/or Forsmark power plant is proposed. (G.B.)

Effect of rotation and magnetic field on free vibrations in a spherical non-homogeneous embedded in an elastic medium

Science.gov (United States)

Bayones, F. S.; Abd-Alla, A. M.

2018-06-01

The prime objective of the present paper is to analyze the effect of magnetic field and rotation on the free vibrations of an elastic hollow sphere. The one-dimensional equation of motion is solved in terms of radial displacement. The frequency equation is obtained when the boundaries are free and fixed boundary conditions. The determination is concerned with the eigenvalues of the natural frequency of the free vibrations in the case of harmonic vibrations. The natural frequencies and the mode shapes are calculated numericall and the effects of rotation and magnetic field are discussed. It was shown that the dispersion curves of waves were significantly influenced by the magnetic field and rotation of the elastic sphere.

One-electron densities of freely rotating Wigner molecules

Science.gov (United States)

Cioslowski, Jerzy

2017-12-01

A formalism enabling computation of the one-particle density of a freely rotating assembly of identical particles that vibrate about their equilibrium positions with amplitudes much smaller than their average distances is presented. It produces densities as finite sums of products of angular and radial functions, the length of the expansion being determined by the interplay between the point-group and permutational symmetries of the system in question. Obtaining from a convolution of the rotational and bosonic components of the parent wavefunction, the angular functions are state-dependent. On the other hand, the radial functions are Gaussians with maxima located at the equilibrium lengths of the position vectors of individual particles and exponents depending on the scalar products of these vectors and the eigenvectors of the corresponding Hessian as well as the respective eigenvalues. Although the new formalism is particularly useful for studies of the Wigner molecules formed by electrons subject to weak confining potentials, it is readily adaptable to species (such as ´balliums’ and Coulomb crystals) composed of identical particles with arbitrary spin statistics and permutational symmetry. Several examples of applications of the present approach to the harmonium atoms within the strong-correlation regime are given.

Comparison of methods for separating vibration sources in rotating machinery

Science.gov (United States)

Klein, Renata

2017-12-01

Vibro-acoustic signatures are widely used for diagnostics of rotating machinery. Vibration based automatic diagnostics systems need to achieve a good separation between signals generated by different sources. The separation task may be challenging, since the effects of the different vibration sources often overlap. In particular, there is a need to separate between signals related to the natural frequencies of the structure and signals resulting from the rotating components (signal whitening), as well as a need to separate between signals generated by asynchronous components like bearings and signals generated by cyclo-stationary components like gears. Several methods were proposed to achieve the above separation tasks. The present study compares between some of these methods. The paper also presents a new method for whitening, Adaptive Clutter Separation, as well as a new efficient algorithm for dephase, which separates between asynchronous and cyclo-stationary signals. For whitening the study compares between liftering of the high quefrencies and adaptive clutter separation. For separating between the asynchronous and the cyclo-stationary signals the study compares between liftering in the quefrency domain and dephase. The methods are compared using both simulated signals and real data.

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.

Free and forced vibrations of an eccentrically rotating string on a viscoelastic foundation

Science.gov (United States)

Soedel, S. M.; Soedel, W.

1989-12-01

Equations of motion of an eccentrically rotating cord on a viscoelastic foundation, derived by way of Hamilton's principle, are solved for free and forced vibrations. The natural frequencies during rotation are bifurcations of the stationary string values. The natural modes are complex and can be interpreted as mode pairs spinning with and against the string rotation. The general forced solution is expanded in terms of these complex modes. Results are given for an example of steady state harmonic response because of its practical significance to aircraft or automobile tire design.

Fluorescence Imaging of Rotational and Vibrational Temperature in a Shock Tunnel Nozzle Flow

Science.gov (United States)

Palma, Philip C.; Danehy, Paul M.; Houwing, A. F. P.

2003-01-01

Two-dimensional rotational and vibrational temperature measurements were made at the nozzle exit of a free-piston shock tunnel using planar laser-induced fluorescence. The Mach 7 flow consisted predominantly of nitrogen with a trace quantity of nitric oxide. Nitric oxide was employed as the probe species and was excited at 225 nm. Nonuniformities in the distribution of nitric oxide in the test gas were observed and were concluded to be due to contamination of the test gas by driver gas or cold test gas.The nozzle-exit rotational temperature was measured and is in reasonable agreement with computational modeling. Nonlinearities in the detection system were responsible for systematic errors in the measurements. The vibrational temperature was measured to be constant with distance from the nozzle exit, indicating it had frozen during the nozzle expansion.

Vibrot, a simple device for the conversion of vibration into rotation mediated by friction: preliminary evaluation.

Directory of Open Access Journals (Sweden)

Ernesto Altshuler

Full Text Available While "vibrational noise" induced by rotating components of machinery is a common problem constantly faced by engineers, the controlled conversion of translational into rotational motion or vice-versa is a desirable goal in many scenarios ranging from internal combustion engines to ultrasonic motors. In this work, we describe the underlying physics after isolating a single degree of freedom, focusing on devices that convert a vibration along the vertical axis into a rotation around this axis. A typical Vibrot (as we label these devices consists of a rigid body with three or more cantilevered elastic legs attached to its bottom at an angle. We show that these legs are capable of transforming vibration into rotation by a "ratchet effect", which is caused by the anisotropic stick-slip-flight motion of the leg tips against the ground. Drawing an analogy with the Froude number used to classify the locomotion dynamics of legged animals, we discuss the walking regime of these robots. We are able to control the rotation frequency of the Vibrot by manipulating the shaking amplitude, frequency or waveform. Furthermore, we have been able to excite Vibrots with acoustic waves, which allows speculating about the possibility of reducing the size of the devices so they can perform tasks into the human body, excited by ultrasound waves from the outside.

Vibration-rotation spectrum of BH X1Σ+ by Fourier transform emission spectroscopy

Science.gov (United States)

Pianalto, F. S.; O'Brien, L. C.; Keller, P. C.; Bernath, P. F.

1988-06-01

The vibration-rotation emission spectrum of the BH X1Σ+ state was observed with the McMath Fourier transform spectrometer at Kitt Peak. The 1-0, 2-1, and 3-2 bands were observed in a microwave discharge of B2H6 in He. Spectroscopic constants of the individual vibrational levels and equilibrium molecular constants were determined. An RKR potential curve was calculated from the equilibrium constants. Alfred P. Sloan Fellow; Camille and Henry Dreyfus Teacher-Scholar.

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.

A low noise discrete velocity method for the Boltzmann equation with quantized rotational and vibrational energy

Science.gov (United States)

Clarke, Peter; Varghese, Philip; Goldstein, David

2018-01-01

A discrete velocity method is developed for gas mixtures of diatomic molecules with both rotational and vibrational energy states. A full quantized model is described, and rotation-translation and vibration-translation energy exchanges are simulated using a Larsen-Borgnakke exchange model. Elastic and inelastic molecular interactions are modeled during every simulated collision to help produce smooth internal energy distributions. The method is verified by comparing simulations of homogeneous relaxation by our discrete velocity method to numerical solutions of the Jeans and Landau-Teller equations, and to direct simulation Monte Carlo. We compute the structure of a 1D shock using this method, and determine how the rotational energy distribution varies with spatial location in the shock and with position in velocity space.

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

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...

Rotation-vibration interactions in the spectra of polycyclic aromatic hydrocarbons: Quinoline as a test-case species

International Nuclear Information System (INIS)

Pirali, O.; Gruet, S.; Kisiel, Z.; Goubet, M.; Martin-Drumel, M. A.; Cuisset, A.; Hindle, F.; Mouret, G.

2015-01-01

Polycyclic aromatic hydrocarbons (PAHs) are highly relevant for astrophysics as possible, though controversial, carriers of the unidentified infrared emission bands that are observed in a number of different astronomical objects. In support of radio-astronomical observations, high resolution laboratory spectroscopy has already provided the rotational spectra in the vibrational ground state of several molecules of this type, although the rotational study of their dense infrared (IR) bands has only recently become possible using a limited number of experimental set-ups. To date, all of the rotationally resolved data have concerned unperturbed spectra. We presently report the results of a high resolution study of the three lowest vibrational states of quinoline C 9 H 7 N, an N-bearing naphthalene derivative. While the pure rotational ground state spectrum of quinoline is unperturbed, severe complications appear in the spectra of the ν 45 and ν 44 vibrational modes (located at about 168 cm −1 and 178 cm −1 , respectively). In order to study these effects in detail, we employed three different and complementary experimental techniques: Fourier-transform microwave spectroscopy, millimeter-wave spectroscopy, and Fourier-transform far-infrared spectroscopy with a synchrotron radiation source. Due to the high density of states in the IR spectra of molecules as large as PAHs, perturbations in the rotational spectra of excited states should be ubiquitous. Our study identifies for the first time this effect and provides some insights into an appropriate treatment of such perturbations

Rotation-vibration interactions in the spectra of polycyclic aromatic hydrocarbons: Quinoline as a test-case species

Science.gov (United States)

Pirali, O.; Kisiel, Z.; Goubet, M.; Gruet, S.; Martin-Drumel, M. A.; Cuisset, A.; Hindle, F.; Mouret, G.

2015-03-01

Polycyclic aromatic hydrocarbons (PAHs) are highly relevant for astrophysics as possible, though controversial, carriers of the unidentified infrared emission bands that are observed in a number of different astronomical objects. In support of radio-astronomical observations, high resolution laboratory spectroscopy has already provided the rotational spectra in the vibrational ground state of several molecules of this type, although the rotational study of their dense infrared (IR) bands has only recently become possible using a limited number of experimental set-ups. To date, all of the rotationally resolved data have concerned unperturbed spectra. We presently report the results of a high resolution study of the three lowest vibrational states of quinoline C9H7N, an N-bearing naphthalene derivative. While the pure rotational ground state spectrum of quinoline is unperturbed, severe complications appear in the spectra of the ν45 and ν44 vibrational modes (located at about 168 cm-1 and 178 cm-1, respectively). In order to study these effects in detail, we employed three different and complementary experimental techniques: Fourier-transform microwave spectroscopy, millimeter-wave spectroscopy, and Fourier-transform far-infrared spectroscopy with a synchrotron radiation source. Due to the high density of states in the IR spectra of molecules as large as PAHs, perturbations in the rotational spectra of excited states should be ubiquitous. Our study identifies for the first time this effect and provides some insights into an appropriate treatment of such perturbations.

Rotation-vibration interactions in the spectra of polycyclic aromatic hydrocarbons: Quinoline as a test-case species

Energy Technology Data Exchange (ETDEWEB)

Pirali, O.; Gruet, S. [AILES Beamline, Synchrotron SOLEIL, l’Orme des Merisiers, Saint-Aubin, 91192 Gif-sur-Yvette cedex (France); Institut des Sciences Moléculaires d’Orsay, UMR8214 CNRS – Université Paris-Sud, Bât. 210, 91405 Orsay cedex (France); Kisiel, Z. [Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland); Goubet, M. [Laboratoire de Physique des Lasers, Atomes et Molécules, UMR 8523 CNRS - Université Lille 1, Bâtiment P5, F-59655 Villeneuve d’Ascq Cedex (France); Martin-Drumel, M. A.; Cuisset, A.; Hindle, F.; Mouret, G. [Laboratoire de Physico-Chimie de l’Atmosphère, EA-4493, Université du Littoral – Côte d’Opale, 59140 Dunkerque (France)

2015-03-14

Polycyclic aromatic hydrocarbons (PAHs) are highly relevant for astrophysics as possible, though controversial, carriers of the unidentified infrared emission bands that are observed in a number of different astronomical objects. In support of radio-astronomical observations, high resolution laboratory spectroscopy has already provided the rotational spectra in the vibrational ground state of several molecules of this type, although the rotational study of their dense infrared (IR) bands has only recently become possible using a limited number of experimental set-ups. To date, all of the rotationally resolved data have concerned unperturbed spectra. We presently report the results of a high resolution study of the three lowest vibrational states of quinoline C{sub 9}H{sub 7}N, an N-bearing naphthalene derivative. While the pure rotational ground state spectrum of quinoline is unperturbed, severe complications appear in the spectra of the ν{sub 45} and ν{sub 44} vibrational modes (located at about 168 cm{sup −1} and 178 cm{sup −1}, respectively). In order to study these effects in detail, we employed three different and complementary experimental techniques: Fourier-transform microwave spectroscopy, millimeter-wave spectroscopy, and Fourier-transform far-infrared spectroscopy with a synchrotron radiation source. Due to the high density of states in the IR spectra of molecules as large as PAHs, perturbations in the rotational spectra of excited states should be ubiquitous. Our study identifies for the first time this effect and provides some insights into an appropriate treatment of such perturbations.

Rotation-vibrational spectra of diatomic molecules and nuclei with Davidson interactions

CERN Document Server

Rowe, D J

1998-01-01

Complete rotation-vibrational spectra and electromagnetic transition rates are obtained for Hamiltonians of diatomic molecules and nuclei with Davidson interactions. Analytical results are derived by dynamical symmetry methods for diatomic molecules and a liquid-drop model of the nucleus. Numerical solutions are obtained for a many-particle nucleus with quadrupole Davidson interactions within the framework of the microscopic symplectic model. (author)

An Efficient Method of Vibration Diagnostics For Rotating Machinery Using a Decision Tree

Directory of Open Access Journals (Sweden)

Bo Suk Yang

2000-01-01

Full Text Available This paper describes an efficient method to automatize vibration diagnosis for rotating machinery using a decision tree, which is applicable to vibration diagnosis expert system. Decision tree is a widely known formalism for expressing classification knowledge and has been used successfully in many diverse areas such as character recognition, medical diagnosis, and expert systems, etc. In order to build a decision tree for vibration diagnosis, we have to define classes and attributes. A set of cases based on past experiences is also needed. This training set is inducted using a result-cause matrix newly developed in the present work instead of using a conventionally implemented cause-result matrix. This method was applied to diagnostics for various cases taken from published work. It is found that the present method predicts causes of the abnormal vibration for test cases with high reliability.

Semi-analytical Vibration Characteristics of Rotating Timoshenko Beams Made of Functionally Graded Materials

Directory of Open Access Journals (Sweden)

Farzad Ebrahimia

Full Text Available AbstractFree vibration analysis of rotating functionally graded (FG thick Timoshenko beams is presented. The material properties of FG beam vary along the thickness direction of the constituents according to power law model. Governing equations are derived through Hamilton's principle and they are solved applying differential transform method. The good agreement between the results of this article and those available in literature validated the presented approach. The emphasis is placed on investigating the effect of several beam parameters such as constituent volume fractions, slenderness ratios, rotational speed and hub radius on natural frequencies and mode shapes of the rotating thick FG beam.

Molecular rotation-vibration dynamics of low-symmetric hydrate crystal in the terahertz region.

Science.gov (United States)

Fu, Xiaojian; Wu, Hongya; Xi, Xiaoqing; Zhou, Ji

2014-01-16

The rotational and vibrational dynamics of molecules in copper sulfate pentahydrate crystal are investigated with terahertz dielectric spectra. It is shown that the relaxation-like dielectric dispersion in the low frequency region is related to the reorientation of water molecules under the driving of terahertz electric field, whereas the resonant dispersion can be ascribed to lattice vibration. It is also found that, due to the hydrogen-bond effect, the vibrational mode at about 1.83 THz along [-111] direction softens with decreasing temperature, that is, the crystal expands in this direction when cooled. On the contrary, the mode hardens in the direction perpendicular to [-111] during the cooling process. This contributes to the further understanding of the molecular structure and bonding features of hydrate crystals.

Nonlinear vibrations analysis of rotating drum-disk coupling structure

Science.gov (United States)

Chaofeng, Li; Boqing, Miao; Qiansheng, Tang; Chenyang, Xi; Bangchun, Wen

2018-04-01

A dynamic model of a coupled rotating drum-disk system with elastic support is developed in this paper. By considering the effects of centrifugal and Coriolis forces as well as rotation-induced hoop stress, the governing differential equation of the drum-disk is derived by Donnell's shell theory. The nonlinear amplitude-frequency characteristics of coupled structure are studied. The results indicate that the natural characteristics of the coupling structure are sensitive to the supporting stiffness of the disk, and the sensitive range is affected by rotating speeds. The circumferential wave numbers can affect the characteristics of the drum-disk structure. If the circumferential wave number n = 1 , the vibration response of the drum keeps a stable value under an unbalanced load of the disk, there is no coupling effect if n ≠ 1 . Under the excitation, the nonlinear hardening characteristics of the forward traveling wave are more evident than that of the backward traveling wave. Moreover, because of the coupling effect of the drum and the disk, the supporting stiffness of the disk has certain effect on the nonlinear characteristics of the forward and backward traveling waves. In addition, small length-radius and thickness-radius ratios have a significant effect on the nonlinear characteristics of the coupled structure, which means nonlinear shell theory should be adopted to design rotating drum's parameter for its specific structural parameters.

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.

Use of piezoelectric actuators in active vibration control of rotating machinery

Science.gov (United States)

Lin, Reng Rong; Palazzolo, Alan B.; Kascak, Albert F.; Montague, Gerald

1990-01-01

Theoretical and test results for the development of piezoelectric-actuator-based active vibration control (AVC) are presented. The evolution of this technology starts with an ideal model of the actuator and progresses to a more sophisticated model where the pushers force the squirrel cage ball bearing supports of a rotating shaft. The piezoelectric pushers consist of a stack of piezoelectric ceramic disks that are arranged on top of one another and connected in parallel electrically. This model consists of a prescribed displacement that is proportional to the input voltage and a spring that represents the stiffness of the stack of piezoelectric disks. System tests were carried out to stabilize the AVC system, verify its effectiveness in controlling vibration, and confirm the theory presented.

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

KAUST Repository

Bakulin, Artem A.

2015-08-06

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

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

KAUST Repository

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

2015-01-01

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

Manipulation of molecular vibrational motions via pure rotational excitations

DEFF Research Database (Denmark)

Shu, Chuan-Cun; Henriksen, Niels Engholm

2015-01-01

The coupling between different molecular degrees of freedom plays a decisive role in many quantum phenomena, including electron transfer and energy redistribution. Here, we demonstrate a quantum-mechanical time-dependent simulation to explore how a vibrational motion in a molecule can be affected...

Vibrational analysis of a shipboard free electron laser beam path

OpenAIRE

Gallant, Bryan M.

2011-01-01

This thesis explores the deployment of a free electron laser (FEL) weapon system in a shipboard vibration environment. A concept solid model of a shipboard FEL is developed and used as a basis for a finite element model which is subjected to vibration simulation in MATLAB. Vibration input is obtained from ship shock trials data and wave excited motion data from ship motion simulation software. Emphasis is placed on the motion of electron beam path components of the FEL and the feasibility of ...

An analysis of vibration-rotation lines of OH in the solar infrared spectrum

NARCIS (Netherlands)

Grevesse, N.; Sauval, A.J.; Dishoeck, van E.F.

1984-01-01

High resolution solar spectra have permitted the measurement with great accuracy of equivalent widths of vibration-rotation lines of OH in the X2Pi state near 3-micron wavelength. Using recent theoretical results for the transition probabilities, a solar oxygen abundance of (8.93 + or - 0.02) is

Vibration Signal Forecasting on Rotating Machinery by means of Signal Decomposition and Neurofuzzy Modeling

Directory of Open Access Journals (Sweden)

Daniel Zurita-Millán

2016-01-01

Full Text Available Vibration monitoring plays a key role in the industrial machinery reliability since it allows enhancing the performance of the machinery under supervision through the detection of failure modes. Thus, vibration monitoring schemes that give information regarding future condition, that is, prognosis approaches, are of growing interest for the scientific and industrial communities. This work proposes a vibration signal prognosis methodology, applied to a rotating electromechanical system and its associated kinematic chain. The method combines the adaptability of neurofuzzy modeling with a signal decomposition strategy to model the patterns of the vibrations signal under different fault scenarios. The model tuning is performed by means of Genetic Algorithms along with a correlation based interval selection procedure. The performance and effectiveness of the proposed method are validated experimentally with an electromechanical test bench containing a kinematic chain. The results of the study indicate the suitability of the method for vibration forecasting in complex electromechanical systems and their associated kinematic chains.

Rotational Parameters from Vibronic Eigenfunctions of Jahn-Teller Active Molecules

Science.gov (United States)

Garner, Scott M.; Miller, Terry A.

2017-06-01

The structure in rotational spectra of many free radical molecules is complicated by Jahn-Teller distortions. Understanding the magnitudes of these distortions is vital to determining the equilibrium geometric structure and details of potential energy surfaces predicted from electronic structure calculations. For example, in the recently studied {\\widetilde{A}^2E^{''} } state of the NO_3 radical, the magnitudes of distortions are yet to be well understood as results from experimental spectroscopic studies of its vibrational and rotational structure disagree with results from electronic structure calculations of the potential energy surface. By fitting either vibrationally resolved spectra or vibronic levels determined by a calculated potential energy surface, we obtain vibronic eigenfunctions for the system as linear combinations of basis functions from products of harmonic oscillators and the degenerate components of the electronic state. Using these vibronic eigenfunctions we are able to predict parameters in the rotational Hamiltonian such as the Watson Jahn-Teller distortion term, h_1, and compare with the results from the analysis of rotational experiments.

Measurement of plasma conductivity using faraday rotation of submillimeter waves

International Nuclear Information System (INIS)

Kuzmenko, P.J.; Self, S.A.

1983-01-01

This paper examines the application of Faraday rotation to the measurement of electron combustion MHD plasmas. Details on the design of a working system are given, including the selection of operating wavelength. A theoretical comparison between the Faraday rotation technique and two-path interferometry shows Faraday rotation in its simplest form to be somewhat less sensitive to changes in electron concentration. This deficit can be balanced against greater immunity to vibration and thermal drift. Improved techniques of measuring the rotation angle promise greater sensitivity. A preliminary experiment has verified the technique

Vibrational motions in rotating nuclei studied by Coulomb excitations

Energy Technology Data Exchange (ETDEWEB)

Shimizu, Yoshifumi R [Kyushu Univ., Fukuoka (Japan). Dept. of Physics

1998-03-01

As is well-known Coulomb excitation is an excellent tool to study the nuclear collective motions. Especially the vibrational excitations in rotating nuclei, which are rather difficult to access by usual heavy-ion fusion reactions, can be investigated in detail. Combined with the famous 8{pi}-Spectrometer, which was one of the best {gamma}-ray detector and had discovered some of superdeformed bands, such Coulomb excitation experiments had been carried out at Chalk River laboratory just before it`s shutdown of physics division. In this meeting some of the experimental data are presented and compared with the results of theoretical investigations. (author)

Vibration of a rotating shaft on hydrodynamic bearings: multi-scales surface effects

International Nuclear Information System (INIS)

Rebufa, Jocelyn

2016-01-01

The hydrodynamic bearing provides good damping properties in rotating machineries. However, the performances of rotor-bearings systems are highly impacted by nonlinear effects that are difficult to analyze. The rotor dynamics prediction requires advanced models for the flow in the bearings. The surface of the bearings seems to have a strong impact on the lubricant flow, acting on the static and dynamic properties of the rotating parts. This study aims to enhance the simulation of the bearings' surface state effect on the motion of the rotating shaft. The flexible shaft interacts with textured hydrodynamic bearings. Multi-scales homogenization is used in a multi-physics algorithm in order to describe the fluid-structure interaction. Different models are used to account for the cavitation phenomenon in the bearings. Nonlinear harmonic methods allow efficient parametric studies of periodic solutions as well as their stability. Moreover, a test rig has been designed to compare predictions to real measurements. Several textured shaft samples modified with femto-seconds LASER surface texturing are tested. In most cases the experimental study showed similar results than the simulation. Enhancements of the vibration behaviors of the rotor-bearing system have been revealed for certain texturing patterns. The self-excited vibration, also known as 'oil whirl' phenomenon, is stabilized on a wide rotating frequency range. However, the simulation tool does not predict well the enhancements that are observed. Vortices in surface texturing patterns have been revealed numerically with Navier-Stokes equation resolution. These results are opposed to the classical lubrication hypothesis. It is also a possible explanation of the enhancements that are experimentally measured with textured bearings. (author) [fr

Steady flow instability in an annulus with deflectors at rotational vibration

Energy Technology Data Exchange (ETDEWEB)

Kozlov, Nikolai V [Lab. Vibrational Hydromechanics, Perm State-Humanitarian Pedagogical University 24 Sibirskaya av., 614990 Perm (Russian Federation); Pareau, Dominique; Stambouli, Moncef [Lab. Chemical Engineering, CentraleSupélec-Université Paris Saclay, Grande Voie des Vignes, 92295 Châtenay-Malabry (France); Ivantsov, Andrey, E-mail: kozlov.n@icmm.ru [Lab. Computational Hydrodynamics Institute of Continuous Media Mechanics UB RAS1 Acad. Korolev st., 614013 Perm (Russian Federation)

2016-12-15

Experimental study and direct numerical simulation of the dynamics of an isothermal low-viscosity fluid are done in a coaxial gap of a cylindrical container making rotational vibrations relative to its axis. On the inner surface of the outer wall of the container, semicircular deflectors are regularly situated, playing the role of flow activators. As a result of vibrations, the activators oscillate tangentially. In the simulation, a 2D configuration is considered, excluding the end-wall effects. In the experiment, a container with a large aspect ratio is used. Steady streaming is generated in the viscous boundary layers on the activators. On each of the latter, beyond the viscous domain, a symmetric vortices pair is formed. The steady streaming in the annulus has an azimuthal periodicity. With an increase in the vibration intensity, a competition between the vortices occurs, as a result of which one of the vortices (let us call it even) approaches the activator and the other one (odd) rolls away and couples with the vortices from the neighbouring pairs. Streamlines of the odd vortices close on each other, forming a cog-wheel shaped flow that encircles the inner wall. Comparison of the experiment and the simulation reveals an agreement at moderate vibration intensity. (paper)

The role of rotational mechanisms in electron swarm parameters at low reduced electric field in N2, O2 and H2

International Nuclear Information System (INIS)

Ridenti, M A; Amorim, J; Alves, L L; Guerra, V

2015-01-01

The homogeneous Boltzmann equation for electrons in N 2 , O 2 and H 2 is solved under the classical two-term approximation, for reduced electric fields in the interval 10   −  4   −10 Td where the electron-neutral encounters are limited to elastic, rotational and vibrational collisions. Rotational excitations/de-excitations are described using the following three different approaches: the discrete inelastic/superelastic collisional operator, written for a number of rotational levels that depends on the molecular gas and the specific rotational cross sections considered; the continuous approximation for rotations; a modified version of the continuous approximation for rotations, including a Chapman–Cowling corrective term proportional to the gas temperature. The expression of the rotational collision operator for this latter approach is deduced here and the results show that it bridges the gap between the discrete and the continuous descriptions at low/intermediate reduced electric fields. The calculations are compared with the measurements for the available swarm parameters to assess the validity of the different approaches and cross sections adopted to describe the rotational mechanisms. (paper)

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

Electron-excited molecule interactions

International Nuclear Information System (INIS)

Christophorou, L.G.; Tennessee Univ., Knoxville, TN

1991-01-01

In this paper the limited but significant knowledge to date on electron scattering from vibrationally/rotationally excited molecules and electron scattering from and electron impact ionization of electronically excited molecules is briefly summarized and discussed. The profound effects of the internal energy content of a molecule on its electron attachment properties are highlighted focusing in particular on electron attachment to vibrationally/rotationally and to electronically excited molecules. The limited knowledge to date on electron-excited molecule interactions clearly shows that the cross sections for certain electron-molecule collision processes can be very different from those involving ground state molecules. For example, optically enhanced electron attachment studies have shown that electron attachment to electronically excited molecules can occur with cross sections 10 6 to 10 7 times larger compared to ground state molecules. The study of electron-excited molecule interactions offers many experimental and theoretical challenges and opportunities and is both of fundamental and technological significance. 54 refs., 15 figs

Rotational-vibrational coupling in the BPS Skyrme model of baryons

Energy Technology Data Exchange (ETDEWEB)

Adam, C.; Naya, C.; Sanchez-Guillen, J. [Departamento de Física de Partículas, Universidad de Santiago de Compostela and Instituto Galego de Física de Altas Enerxias (IGFAE), E-15782 Santiago de Compostela (Spain); Wereszczynski, A. [Institute of Physics, Jagiellonian University, Reymonta 4, Kraków (Poland)

2013-11-04

We calculate the rotational-vibrational spectrum in the BPS Skyrme model for the hedgehog skyrmion with baryon number one. The resulting excitation energies for the nucleon and delta Roper resonances are slightly above their experimental values. Together with the fact that in the standard Skyrme model these excitation energies are significantly lower than the experimental ones, this provides strong evidence for the conjecture that the inclusion of the BPS Skyrme model is required for a successful quantitative description of physical properties of baryons and nuclei.

Theoretical and Spectroscopic investigations of conformations, rotational barriers and scaled vibrations of 2,3-dimethyl hexane

Directory of Open Access Journals (Sweden)

Aziz Aboulmouhajir

2017-01-01

Full Text Available The 2,3-dimethyl hexane conformational isomerism has been investigated in detail, based on HF, Post-HF and DFT calculations at different basis set. The effect of size of basis, ZPE, thermal contributions, electronic correlation and optimization methods on the conformational stability was discussed. The rotational barriers from the most stable conformer to the lowest energy secondary conformers and their correspondent inversion barriers at both HF and MP2 methods using 6-31G* basis set have also been approached. A normal mode calculation of the most and less-stable conformers using a scaled ab initio force field in terms of non-redundant local symmetry coordinates have been made to elucidate the conformational dependence of the vibrational spectra.

Damage-free vibrational spectroscopy of biological materials in the electron microscope.

Science.gov (United States)

Rez, Peter; Aoki, Toshihiro; March, Katia; Gur, Dvir; Krivanek, Ondrej L; Dellby, Niklas; Lovejoy, Tracy C; Wolf, Sharon G; Cohen, Hagai

2016-03-10

Vibrational spectroscopy in the electron microscope would be transformative in the study of biological samples, provided that radiation damage could be prevented. However, electron beams typically create high-energy excitations that severely accelerate sample degradation. Here this major difficulty is overcome using an 'aloof' electron beam, positioned tens of nanometres away from the sample: high-energy excitations are suppressed, while vibrational modes of energies electron energy loss spectra from biogenic guanine crystals in their native state, resolving their characteristic C-H, N-H and C=O vibrational signatures with no observable radiation damage. The technique opens up the possibility of non-damaging compositional analyses of organic functional groups, including non-crystalline biological materials, at a spatial resolution of ∼10 nm, simultaneously combined with imaging in the electron microscope.

Symbolic derivation of high-order Rayleigh-Schroedinger perturbation energies using computer algebra: Application to vibrational-rotational analysis of diatomic molecules

Energy Technology Data Exchange (ETDEWEB)

Herbert, John M. [Kansas State Univ., Manhattan, KS (United States). Dept. of Chemistry

1997-01-01

Rayleigh-Schroedinger perturbation theory is an effective and popular tool for describing low-lying vibrational and rotational states of molecules. This method, in conjunction with ab initio techniques for computation of electronic potential energy surfaces, can be used to calculate first-principles molecular vibrational-rotational energies to successive orders of approximation. Because of mathematical complexities, however, such perturbation calculations are rarely extended beyond the second order of approximation, although recent work by Herbert has provided a formula for the nth-order energy correction. This report extends that work and furnishes the remaining theoretical details (including a general formula for the Rayleigh-Schroedinger expansion coefficients) necessary for calculation of energy corrections to arbitrary order. The commercial computer algebra software Mathematica is employed to perform the prohibitively tedious symbolic manipulations necessary for derivation of generalized energy formulae in terms of universal constants, molecular constants, and quantum numbers. As a pedagogical example, a Hamiltonian operator tailored specifically to diatomic molecules is derived, and the perturbation formulae obtained from this Hamiltonian are evaluated for a number of such molecules. This work provides a foundation for future analyses of polyatomic molecules, since it demonstrates that arbitrary-order perturbation theory can successfully be applied with the aid of commercially available computer algebra software.

Rotational laser cooling of vibrationally and translationally cold molecular ions

DEFF Research Database (Denmark)

Staanum, Peter; Højbjerre, Klaus; Skyt, Peter Sandegaard

2010-01-01

Stationary molecules in well-defined internal states are of broad interest for physics and chemistry. In physics, this includes metrology 1, 2, 3 , quantum computing 4, 5 and many-body quantum mechanics 6, 7 , whereas in chemistry, state-prepared molecular targets are of interest for uni......-molecular reactions with coherent light fields 8, 9 , for quantum-state-selected bi-molecular reactions 10, 11, 12 and for astrochemistry 12 . Here, we demonstrate rotational ground-state cooling of vibrationally and translationally cold MgH+ ions, using a laser-cooling scheme based on excitation of a single...

Simulation Study of Electronic Damping of Microphonic Vibrations in Superconducting Cavities

International Nuclear Information System (INIS)

Alicia Hofler; Jean Delayen

2005-01-01

Electronic damping of microphonic vibrations in superconducting rf cavities involves an active modulation of the cavity field amplitude in order to induce ponderomotive forces that counteract the effect of ambient vibrations on the cavity frequency. In lightly beam loaded cavities, a reduction of the microphonics-induced frequency excursions leads directly to a reduction of the rf power required for phase and amplitude stabilization. Jefferson Lab is investigating such an electronic damping scheme that could be applied to the JLab 12 GeV upgrade, the RIA driver, and possibly to energy-recovering superconducting linacs. This paper discusses a model and presents simulation results for electronic damping of microphonic vibrations

Critical evaluation of measured rotational-vibrational transitions of four sulphur isotopologues of S16O2

Science.gov (United States)

Tóbiás, Roland; Furtenbacher, Tibor; Császár, Attila G.; Naumenko, Olga V.; Tennyson, Jonathan; Flaud, Jean-Marie; Kumar, Praveen; Poirier, Bill

2018-03-01

A critical evaluation and validation of the complete set of previously published experimental rotational-vibrational line positions is reported for the four stable sulphur isotopologues of the semirigid SO2 molecule - i.e., 32S16O2, 33S16O2, 34S16O2, and 36S16O2. The experimentally measured, assigned, and labeled transitions are collated from 43 sources. The 32S16O2, 33S16O2, 34S16O2, and 36S16O2 datasets contain 40,269, 15,628, 31,080, and 31 lines, respectively. Of the datasets collated, only the extremely limited 36S16O2 dataset is not subjected to a detailed analysis. As part of a detailed analysis of the experimental spectroscopic networks corresponding to the ground electronic states of the 32S16O2, 33S16O2, and 34S16O2 isotopologues, the MARVEL (Measured Active Rotational-Vibrational Energy Levels) procedure is used to determine the rovibrational energy levels. The rovibrational levels and their vibrational parent and asymmetric-top quantum numbers are compared to ones obtained from accurate variational nuclear-motion computations as well as to results of carefully designed effective Hamiltonian models. The rovibrational energy levels of the three isotopologues having the same labels are also compared against each other to ensure self-consistency. This careful, multifaceted analysis gives rise to 15,130, 5852, and 10,893 validated rovibrational energy levels, with a typical accuracy of a few 0.0001 cm-1 , for 32S16O2, 33S16O2, and 34S16O2, respectively. The extensive list of validated experimental lines and empirical (MARVEL) energy levels of the S16O2 isotopologues studied are deposited in the Supplementary Material of this article, as well as in the distributed information system ReSpecTh (http://respecth.hu).

Vibrational-rotational temperature measurement of N2 in the lower thermosphere by the rocket experiment

Science.gov (United States)

Kurihara, J.; Oyama, K.; Suzuki, K.; Iwagami, N.

The vibrational temperature (Tv), the rotational temperature (Tr) and the density of atmospheric N2 between 100 - 150 km were measured in situ by a sounding rocket S310-30, over Kagoshima, Japan at 10:30 UT on February 6, 2002. The main purpose of this rocket experiment is to study the dynamics and the thermal energy budget in the lower thermosphere. N2 was ionized using an electron gun and the emission of the 1st negative bands of N2+ was measured by a sensitive spectrometer. Tv and Tr were determined by fitting the observed spectrum for the simulated spectrum, and the number density was deduced from the intensities of the spectrum. We will report preliminary results of our measurement and discuss the observed thermal structure that indicates the effect of tides and gravity waves.

The effect of gas and fluid flows on nonlinear lateral vibrations of rotating drill strings

Science.gov (United States)

Khajiyeva, Lelya; Kudaibergenov, Askar; Kudaibergenov, Askat

2018-06-01

In this work we develop nonlinear mathematical models describing coupled lateral vibrations of a rotating drill string under the effect of external supersonic gas and internal fluid flows. An axial compressive load and a torque also affect the drill string. The mathematical models are derived by the use of Novozhilov's nonlinear theory of elasticity with implementation of Hamilton's variation principle. Expressions for the gas flow pressure are determined according to the piston theory. The fluid flow is considered as added mass inside the curved tube of the drill string. Using an algorithm developed in the Mathematica computation program on the basis of the Galerkin approach and the stiffness switching method the numerical solution of the obtained approximate differential equations is found. Influences of the external loads, drill string angular speed of rotation, parameters of the gas and fluid flows on the drill string vibrations are shown.

A novel vibration-based fault diagnostic algorithm for gearboxes under speed fluctuations without rotational speed measurement

Science.gov (United States)

Hong, Liu; Qu, Yongzhi; Dhupia, Jaspreet Singh; Sheng, Shuangwen; Tan, Yuegang; Zhou, Zude

2017-09-01

The localized failures of gears introduce cyclic-transient impulses in the measured gearbox vibration signals. These impulses are usually identified from the sidebands around gear-mesh harmonics through the spectral analysis of cyclo-stationary signals. However, in practice, several high-powered applications of gearboxes like wind turbines are intrinsically characterized by nonstationary processes that blur the measured vibration spectra of a gearbox and deteriorate the efficacy of spectral diagnostic methods. Although order-tracking techniques have been proposed to improve the performance of spectral diagnosis for nonstationary signals measured in such applications, the required hardware for the measurement of rotational speed of these machines is often unavailable in industrial settings. Moreover, existing tacho-less order-tracking approaches are usually limited by the high time-frequency resolution requirement, which is a prerequisite for the precise estimation of the instantaneous frequency. To address such issues, a novel fault-signature enhancement algorithm is proposed that can alleviate the spectral smearing without the need of rotational speed measurement. This proposed tacho-less diagnostic technique resamples the measured acceleration signal of the gearbox based on the optimal warping path evaluated from the fast dynamic time-warping algorithm, which aligns a filtered shaft rotational harmonic signal with respect to a reference signal assuming a constant shaft rotational speed estimated from the approximation of operational speed. The effectiveness of this method is validated using both simulated signals from a fixed-axis gear pair under nonstationary conditions and experimental measurements from a 750-kW planetary wind turbine gearbox on a dynamometer test rig. The results demonstrate that the proposed algorithm can identify fault information from typical gearbox vibration measurements carried out in a resource-constrained industrial environment.

Rotational and High-resolution Infrared Spectrum of HC3N: Global Ro-vibrational Analysis and Improved Line Catalog for Astrophysical Observations

Science.gov (United States)

Bizzocchi, Luca; Tamassia, Filippo; Laas, Jacob; Giuliano, Barbara M.; Degli Esposti, Claudio; Dore, Luca; Melosso, Mattia; Canè, Elisabetta; Pietropolli Charmet, Andrea; Müller, Holger S. P.; Spahn, Holger; Belloche, Arnaud; Caselli, Paola; Menten, Karl M.; Garrod, Robin T.

2017-11-01

HC3N is a ubiquitous molecule in interstellar environments, from external galaxies to Galactic interstellar clouds, star-forming regions, and planetary atmospheres. Observations of its rotational and vibrational transitions provide important information on the physical and chemical structures of the above environments. We present the most complete global analysis of the spectroscopic data of HC3N. We recorded the high-resolution infrared spectrum from 450 to 1350 cm-1, a region dominated by the intense {ν }5 and {ν }6 fundamental bands, located at 660 and 500 cm-1, respectively, and their associated hot bands. Pure rotational transitions in the ground and vibrationally excited states were recorded in the millimeter and submillimeter regions in order to extend the frequency range so far considered in previous investigations. All of the transitions from the literature and from this work involving energy levels lower than 1000 cm-1 were fitted together to an effective Hamiltonian. Because of the presence of various anharmonic resonances, the Hamiltonian includes a number of interaction constants, in addition to the conventional rotational and vibrational l-type resonance terms. The data set contains about 3400 ro-vibrational lines of 13 bands and some 1500 pure rotational lines belonging to 12 vibrational states. More than 120 spectroscopic constants were determined directly from the fit, without any assumption deduced from theoretical calculations or comparisons with similar molecules. An extensive list of highly accurate rest frequencies was produced to assist astronomical searches and data interpretation. These improved data enabled a refined analysis of the ALMA observations toward Sgr B2(N2).

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)

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

Science.gov (United States)

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

2016-03-21

Electronic devices composed of single molecules constitute the ultimate limit in the continued downscaling of electronic components. A key challenge for single-molecule electronics is to control the temperature of these junctions. Controlling heating and cooling effects in individual vibrational modes can, in principle, be utilized to increase stability of single-molecule junctions under bias, to pump energy into particular vibrational modes to perform current-induced reactions, or to increase the resolution in inelastic electron tunneling spectroscopy by controlling the life-times of phonons in a molecule by suppressing absorption and external dissipation processes. Under bias the current and the molecule exchange energy, which typically results in heating of the molecule. However, the opposite process is also possible, where energy is extracted from the molecule by the tunneling current. Designing a molecular "heat sink" where a particular vibrational mode funnels heat out of the molecule and into the leads would be very desirable. It is even possible to imagine how the vibrational energy of the other vibrational modes could be funneled into the "cooling mode," given the right molecular design. Previous efforts to understand heating and cooling mechanisms in single molecule junctions have primarily been concerned with small models, where it is unclear which molecular systems they correspond to. In this paper, our focus is on suppressing heating and obtaining current-induced cooling in certain vibrational modes. Strategies for cooling vibrational modes in single-molecule junctions are presented, together with atomistic calculations based on those strategies. Cooling and reduced heating are observed for two different cooling schemes in calculations of atomistic single-molecule junctions.

Image-based tracking system for vibration measurement of a rotating object using a laser scanning vibrometer

Energy Technology Data Exchange (ETDEWEB)

Kim, Dongkyu, E-mail: akein@gist.ac.kr; Khalil, Hossam; Jo, Youngjoon; Park, Kyihwan, E-mail: khpark@gist.ac.kr [School of Mechatronics, Gwangju Institute of Science and Technology, Buk-gu, Gwangju, South Korea, 500-712 (Korea, Republic of)

2016-06-28

An image-based tracking system using laser scanning vibrometer is developed for vibration measurement of a rotating object. The proposed system unlike a conventional one can be used where the position or velocity sensor such as an encoder cannot be attached to an object. An image processing algorithm is introduced to detect a landmark and laser beam based on their colors. Then, through using feedback control system, the laser beam can track a rotating object.

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

Commutator perturbation method in the study of vibrational-rotational spectra of diatomic molecules

International Nuclear Information System (INIS)

Matamala-Vasquez, A.; Karwowski, J.

2000-01-01

The commutator perturbation method, an algebraic version of the Van Vleck-Primas perturbation method, expressed in terms of ladder operators, has been applied to solving the eigenvalue problem of the Hamiltonian describing the vibrational-rotational motion of a diatomic molecule. The physical model used in this work is based on Dunham's approach. The method facilitates obtaining both energies and eigenvectors in an algebraic way

Intermediate energy electron impact excitation of composite vibrational modes in phenol

Energy Technology Data Exchange (ETDEWEB)

Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, G.P.O. Box 2100, Adelaide, SA 5001 (Australia); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, Minas Gerais (Brazil); Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, G.P.O. Box 2100, Adelaide, SA 5001 (Australia); Lopes, M. C. A.; Nixon, K. L. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, Minas Gerais (Brazil); Oliveira, E. M. de; Lima, M. A. P. [Instituto de Física ‘Gleb Wataghin,’ Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo (Brazil); Costa, R. F. da [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, São Paulo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, C.P. 66318, 05315-970 São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, C.P. 19044, 81531-990 Curitiba, Paraná (Brazil); Silva, G. B. da [Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, G.P.O. Box 2100, Adelaide, SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)

2015-05-21

We report differential cross section results from an experimental investigation into the electron impact excitation of a number of the low-lying composite (unresolved) vibrational modes in phenol (C{sub 6}H{sub 5}OH). The measurements were carried out at incident electron energies in the range 15–40 eV and for scattered-electron angles in the range 10–90°. The energy resolution of those measurements was typically ∼80 meV. Calculations, using the GAMESS code, were also undertaken with a B3LYP/aug-cc-pVDZ level model chemistry, in order to enable us to assign vibrational modes to the features observed in our energy loss spectra. To the best of our knowledge, the present cross sections are the first to be reported for vibrational excitation of the C{sub 6}H{sub 5}OH molecule by electron impact.

Vibration suppression of a rotating flexible cantilever pipe conveying fluid using piezoelectric layers

Directory of Open Access Journals (Sweden)

S. Khajehpour

Full Text Available AbstractIn this study, the governing equations of a rotating cantilever pipe conveying fluid are derived and the longitudinal and lateral induced vibrations are controlled. The pipe considered as an Euler Bernoulli beam with tip mass which piezoelectric layers attached both side of it as sensors and actuators. The follower force due to the fluid discharge causes both conservative and non-conservative work. For mathematical modeling, the Lagrange-Rayleigh-Ritz technique is utilized. An adaptive-robust control scheme is applied to suppress the vibration of the pipe. The adaptive-robust control method is robust against parameter uncertainties and disturbances. Finally, the system is simulated and the effects of varying parameters are studied. The simulation results show the excellent performance of the controller.

Vibrational excitation of D2 by low energy electrons

International Nuclear Information System (INIS)

Buckman, S.J.; Phelps, A.V.

1985-01-01

Excitation coefficients for the production of vibrationally exicted D 2 by low energy electrons have been determined from measurements of the intensity of infrared emission from mixtures of D 2 and small concentrations of CO 2 or CO. The measurements were made using the electron drift tube technique and covered electric field to gas density ratios (E/n) from (5 to 80) x 10 -21 V m 2 , corresponding to mean electron energies between 0.45 and 4.5 eV. The CO 2 and CO concentrations were chosen to allow efficient excitation transfer from the D 2 to the carbon containing molecule, but to minimize direct excitation of the CO 2 or CO. The measured infrared intensities were normalized to predicted values for N 2 --CO 2 and N 2 --CO mixtures at E/n where the efficiency of vibrational excitation is known to be very close to 100%. The experimental excitation coefficients are in satisfactory agreement with predictions based on electron--D 2 cross sections at mean electron energies below 1 eV, but are about 50% too high at mean energies above about 2 eV. Application of the technique to H 2 did not yield useful vibrational excitation coefficients. The effective coefficients in H 2 --CO 2 mixtures were a factor of about 3 times the predicted values. For our H 2 --CO mixtures the excitation of CO via excitation transfer from H 2 is small compared to direct electron excitation of CO molecules. Published experiments and theories on electron--H 2 and electron--D 2 collisions are reviewed to obtain the cross sections used in the predictions

Vibration analysis of rotating nanobeam systems using Eringen's two-phase local/nonlocal model

Science.gov (United States)

Khaniki, Hossein Bakhshi

2018-05-01

Due to the inability of differential form of nonlocal elastic theory in modelling cantilever beams and inaccurate results for some type of boundaries, in this study, a reliable investigation on transverse vibrational behavior of rotating cantilever size-dependent beams is presented. Governing higher order equations are written in the framework of Eringen's two-phase local/nonlocal model and solved using a modified generalized differential quadrature method. In order to indicate the influence of different material and scale parameters, a comprehensive parametric study is presented. It is shown that increasing the nonlocality term leads to lower natural frequency terms for cantilever nanobeams especially for the fundamental frequency parameter which differential nonlocal model is unable to track appropriately. Moreover, it is shown that rotating speed and hub radius have a remarkable effect in varying the mechanical behavior of rotating cantilever nanobeams. This study is a step forward in analyzing nanorotors, nanoturbines, nanoblades, etc.

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.

Relationships for electron-vibrational coupling in conjugated π organic systems

Science.gov (United States)

O'Neill, L.; Lynch, P.; McNamara, M.; Byrne, H. J.

2005-06-01

A series of π conjugated systems were studied by absorption, photoluminescence and vibrational spectroscopy. As is common for these systems, a linear relationship between the positioning of the absorption and photoluminescence maxima plotted against inverse conjugation length is observed. The relationships are in good agreement with the simple particle in a box method, one of the earliest descriptions of the properties of one-dimensional organic molecules. In addition to the electronic transition energies, it was observed that the Stokes shift also exhibited a well-defined relationship with increasing conjugation length, implying a correlation between the electron-vibrational coupling and chain length. This correlation is further examined using Raman spectroscopy, whereby the integrated Raman scattering is seen to behave superlinearly with chain length. There is a clear indication that the vibrational activity and thus nonradiative decay processes are controllable through molecular structure. The correlations between the Stokes energies and the vibrational structure are also observed in a selection of PPV based polymers and a clear trend of increasing luminescence efficiency with decreasing vibrational activity and Stokes shift is observable. The implications of such structure property relationships in terms of materials design are discussed.

Ultra high energy electrons powered by pulsar rotation.

Science.gov (United States)

Mahajan, Swadesh; Machabeli, George; Osmanov, Zaza; Chkheidze, Nino

2013-01-01

A new mechanism of particle acceleration, driven by the rotational slow down of the Crab pulsar, is explored. The rotation, through the time dependent centrifugal force, can efficiently excite unstable Langmuir waves in the electron-positron (hereafter e(±)) plasma of the star magnetosphere. These waves, then, Landau damp on electrons accelerating them in the process. The net transfer of energy is optimal when the wave growth and the Landau damping times are comparable and are both very short compared to the star rotation time. We show, by detailed calculations, that these are precisely the conditions for the parameters of the Crab pulsar. This highly efficient route for energy transfer allows the electrons in the primary beam to be catapulted to multiple TeV (~ 100 TeV) and even PeV energy domain. It is expected that the proposed mechanism may, unravel the puzzle of the origin of ultra high energy cosmic ray electrons.

Effect of room temperature lattice vibration on the electron transport in graphene nanoribbons

Science.gov (United States)

Liu, Yue-Yang; Li, Bo-Lin; Chen, Shi-Zhang; Jiang, Xiangwei; Chen, Ke-Qiu

2017-09-01

We observe directly the lattice vibration and its multifold effect on electron transport in zigzag graphene nanoribbons in simulation by utilizing an efficient combined method. The results show that the electron transport fluctuates greatly due to the incessant lattice vibration of the nanoribbons. More interestingly, the lattice vibration behaves like a double-edged sword that it boosts the conductance of symmetric zigzag nanoribbons (containing an even number of zigzag chains along the width direction) while weakens the conductance of asymmetric nanoribbons. As a result, the reported large disparity between the conductances of the two kinds of nanoribbons at 0 K is in fact much smaller at room temperature (300 K). We also find that the spin filter effect that exists in perfect two-dimensional symmetric zigzag graphene nanoribbons is destroyed to some extent by lattice vibrations. Since lattice vibrations or phonons are usually inevitable in experiments, the research is very meaningful for revealing the important role of lattice vibrations play in the electron transport properties of two-dimensional materials and guiding the application of ZGNRs in reality.

Electron scattering from the octupole band in 238U

International Nuclear Information System (INIS)

Hirsch, A.; Creswell, C.; Bertozzi, W.; Heisenberg, J.; Hynes, M.V.; Kowalski, S.; Miska, H.; Norum, B.; Rad, F.N.; Sargent, C.P.; Sasanuma, T.; Turchinetz, W.

1978-01-01

A simple model for nuclear surface vibrations in permanently deformed nuclei does well in reproducing electron scattering cross sections of rotational levels built on a K/sup π/= 0 - intrinsic octupole vibration in 238 U

Directing the path of light-induced electron transfer at a molecular fork using vibrational excitation

Science.gov (United States)

Delor, Milan; Archer, Stuart A.; Keane, Theo; Meijer, Anthony J. H. M.; Sazanovich, Igor V.; Greetham, Gregory M.; Towrie, Michael; Weinstein, Julia A.

2017-11-01

Ultrafast electron transfer in condensed-phase molecular systems is often strongly coupled to intramolecular vibrations that can promote, suppress and direct electronic processes. Recent experiments exploring this phenomenon proved that light-induced electron transfer can be strongly modulated by vibrational excitation, suggesting a new avenue for active control over molecular function. Here, we achieve the first example of such explicit vibrational control through judicious design of a Pt(II)-acetylide charge-transfer donor-bridge-acceptor-bridge-donor 'fork' system: asymmetric 13C isotopic labelling of one of the two -C≡C- bridges makes the two parallel and otherwise identical donor→acceptor electron-transfer pathways structurally distinct, enabling independent vibrational perturbation of either. Applying an ultrafast UVpump(excitation)-IRpump(perturbation)-IRprobe(monitoring) pulse sequence, we show that the pathway that is vibrationally perturbed during UV-induced electron transfer is dramatically slowed down compared to its unperturbed counterpart. One can thus choose the dominant electron transfer pathway. The findings deliver a new opportunity for precise perturbative control of electronic energy propagation in molecular devices.

A study on the annular leakage-flow-induced vibrations. 1st report. Stability for translational and rotational single-degree-of-freedom systems

International Nuclear Information System (INIS)

Li, Dong-Wei; Kaneko, Shigehiko; Hayama, Shinji

1999-01-01

This study reports the stability of annular leakage-flow-induced vibrations. The pressure distribution of fluid between a fixed outer cylinder and a vibrating inner cylinder was obtained in the case of a translationally and rotationally coupled motion of the inner cylinder. The unsteady fluid force acting on the inner cylinder in the case of translational and rotational single-degree-of-freedom vibrations was then expressed in terms proportional to the acceleration, velocity, and displacement. Then the critical flow rate (at which stability was lost) was determined for an annular leakage-flow-induced vibration. Finally, the stability was investigated theoretically. It is known that instability will occur in the case of a divergent passage, but the critical flow rate depends on the passage increment in a limited range: the eccentricity of the passage and the pressure loss factor at the inlet of the passage lower the stability. (author)

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

KAUST Repository

Song, Yin

2015-06-07

© 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 coherence plays during the electron transfer process since vibrational coherence from the ground- and excited-electronic states is usually temporally and spectrally overlapped. Here, we performed 2-dimensional electronic spectroscopy (2D ES) measurements on poly(3-hexylthiophene) (P3HT) films. By Fourier transforming the whole 2D ES datasets (S (λ 1, T∼ 2, λ 3)) along the population time (T∼ 2) axis, we develop and propose a protocol capable of separating vibrational coherence from the ground- and excited-electronic states in 3D rephasing and nonrephasing beating maps (S (λ 1, ν∼ 2, λ 3)). We found that the vibrational coherence from pure excited electronic states appears at positive frequency (+ ν∼ 2) in the rephasing beating map and at negative frequency (- ν∼ 2) in the nonrephasing beating map. Furthermore, we also found that vibrational coherence from excited electronic state had a long dephasing time of 244 fs. The long-lived excited-state vibrational coherence indicates that coherence may be involved in the electron transfer process. Our findings not only shed light on the mechanism of ultrafast electron transfer in organic photovoltaics but also are beneficial for the study of the coherence effect on photoexcited dynamics in other systems.

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

International Nuclear Information System (INIS)

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

2015-01-01

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 coherence plays during the electron transfer process since vibrational coherence from the ground- and excited-electronic states is usually temporally and spectrally overlapped. Here, we performed 2-dimensional electronic spectroscopy (2D ES) measurements on poly(3-hexylthiophene) (P3HT) films. By Fourier transforming the whole 2D ES datasets (S(λ 1 ,T ~ 2 ,λ 3 )) along the population time (T ~ 2 ) axis, we develop and propose a protocol capable of separating vibrational coherence from the ground- and excited-electronic states in 3D rephasing and nonrephasing beating maps (S(λ 1 ,ν ~ 2 ,λ 3 )). We found that the vibrational coherence from pure excited electronic states appears at positive frequency (+ν ~ 2 ) in the rephasing beating map and at negative frequency (−ν ~ 2 ) in the nonrephasing beating map. Furthermore, we also found that vibrational coherence from excited electronic state had a long dephasing time of 244 fs. The long-lived excited-state vibrational coherence indicates that coherence may be involved in the electron transfer process. Our findings not only shed light on the mechanism of ultrafast electron transfer in organic photovoltaics but also are beneficial for the study of the coherence effect on photoexcited dynamics in other systems

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.

ExoMol line lists - IV. The rotation-vibration spectrum of methane up to 1500 K

Science.gov (United States)

Yurchenko, Sergei N.; Tennyson, Jonathan

2014-05-01

A new hot line list is calculated for 12CH4 in its ground electronic state. This line list, called 10to10, contains 9.8 billion transitions and should be complete for temperatures up to 1500 K. It covers the wavelengths longer than 1 μm and includes all transitions to upper states with energies below hc · 18 000 cm-1 and rotational excitation up to J = 39. The line list is computed using the eigenvalues and eigenfunctions of CH4 obtained by variational solution of the Schrödinger equation for the rotation-vibration motion of nuclei employing program TROVE and a new `spectroscopic' potential energy surface (PES) obtained by refining an ab initio PES (CCSD(T)-F12c/aug-cc-pVQZ) through least-squares fitting to the experimentally derived energies with J = 0-4 and a previously reported ab initio dipole moment surface (CCSD(T)-F12c/aug-cc-pVTZ). Detailed comparisons with other available sources of methane transitions including HITRAN, experimental compilations and other theoretical line lists show that these sources lack transitions both higher temperatures and near-infrared wavelengths. The 10to10 line list is suitable for modelling atmospheres of cool stars and exoplanets. It is available from the CDS data base as well as at www.exomol.com.

Electronic Rydberg wavepacket effects on molecular vibration

International Nuclear Information System (INIS)

Hughes, I.G.; Meacher, D.R.

1994-01-01

Electronic wavepacket states of molecular hydrogen are considered which represent the situation of a spectator electron orbiting a molecular core. A quantum defect theory approach is used to determine the energy level structure, wavefunctions and molecular potentials, which is valid in regions where the quantum defects approach zero. In such a region the orbital motion of the wavepacket leads to a periodic variation in the molecular vibration frequency of the order of 100 cm -1 . Possible detection schemes are discussed. (author)

A study of vibrational relaxation of electronically-excited molecules

International Nuclear Information System (INIS)

Datsyuk, V.V.; Izmailov, I.A.; Kochelap, V.A.

1992-09-01

The time kinetics of the vibrational relaxation of excimers is studied in the diffusional approximation. Simple formulae for functions of nonstationary vibrational distribution are found for the electronically excited molecules. Some spectral-kinetic dependencies of the excimer luminescence are explained in a new way. The possibilities of the determination of excimer parameters are discussed. The dependence of energetical characteristics of excimer lasers on these parameters is particularly emphasized. (author). 22 refs, 5 figs

Excitation of vibrational quanta in furfural by intermediate-energy electrons

Science.gov (United States)

Jones, D. B.; Neves, R. F. C.; Lopes, M. C. A.; da Costa, R. F.; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; García, G.; Blanco, F.; Brunger, M. J.

2015-12-01

We report cross sections for electron-impact excitation of vibrational quanta in furfural, at intermediate incident electron energies (20, 30, and 40 eV). The present differential cross sections are measured over the scattered electron angular range 10°-90°, with corresponding integral cross sections subsequently being determined. Furfural is a viable plant-derived alternative to petrochemicals, being produced via low-temperature plasma treatment of biomass. Current yields, however, need to be significantly improved, possibly through modelling, with the present cross sections being an important component of such simulations. To the best of our knowledge, there are no other cross sections for vibrational excitation of furfural available in the literature, so the present data are valuable for this important molecule.

Excitation of vibrational quanta in furfural by intermediate-energy electrons

Energy Technology Data Exchange (ETDEWEB)

Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, MG (Brazil); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, MG (Brazil); Costa, R. F. da [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, 13083-859 São Paulo (Brazil); Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Santo André, 09210-580 São Paulo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo, São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil); Lima, M. A. P. [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, 13083-859 São Paulo (Brazil); García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); and others

2015-12-14

We report cross sections for electron-impact excitation of vibrational quanta in furfural, at intermediate incident electron energies (20, 30, and 40 eV). The present differential cross sections are measured over the scattered electron angular range 10°–90°, with corresponding integral cross sections subsequently being determined. Furfural is a viable plant-derived alternative to petrochemicals, being produced via low-temperature plasma treatment of biomass. Current yields, however, need to be significantly improved, possibly through modelling, with the present cross sections being an important component of such simulations. To the best of our knowledge, there are no other cross sections for vibrational excitation of furfural available in the literature, so the present data are valuable for this important molecule.

Excitation of vibrational quanta in furfural by intermediate-energy electrons

International Nuclear Information System (INIS)

Jones, D. B.; Neves, R. F. C.; Lopes, M. C. A.; Costa, R. F. da; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; García, G.

2015-01-01

We report cross sections for electron-impact excitation of vibrational quanta in furfural, at intermediate incident electron energies (20, 30, and 40 eV). The present differential cross sections are measured over the scattered electron angular range 10°–90°, with corresponding integral cross sections subsequently being determined. Furfural is a viable plant-derived alternative to petrochemicals, being produced via low-temperature plasma treatment of biomass. Current yields, however, need to be significantly improved, possibly through modelling, with the present cross sections being an important component of such simulations. To the best of our knowledge, there are no other cross sections for vibrational excitation of furfural available in the literature, so the present data are valuable for this important molecule

Design and Experimental Characterization of a Vibration Energy Harvesting Device for Rotational Systems

Directory of Open Access Journals (Sweden)

Lutao Yan

2013-01-01

Full Text Available This paper presents a new vibration based electromagnetic power generator to transfer energy from stationary to rotating equipment, which can be a new attempt to substitute slip ring in rotational systems. The natural frequencies and modes are simulated in order to have a maximum and steady power output from the device. Parameters such as piezoelectric disk location and relative motion direction of the magnet are theoretically and experimentally analyzed. The results show that the position that is close to the fixed end of the cantilever and the relative motion along the long side gives higher power output. Moreover, the capability of the energy harvester to extract power from lower energy environment is experimentally validated. The voltage and power output are measured at different excitation frequencies.

Vibrational frequencies and dephasing times in excited electronic states by femtosecond time-resolved four-wave mixing

Science.gov (United States)

Joo, Taiha; Albrecht, A. C.

1993-06-01

Time-resolved degenerate four-wave mixing (TRDFWM) for an electronically resonant system in a phase-matching configuration that measures population decay is reported. Because the spectral width of input light exceeds the vibrational Bohr frequency of a strong Raman active mode, the vibrational coherence produces strong oscillations in the TRDFWM signal together with the usual population decay from the excited electronic state. The data are analyzed in terms of a four-level system: ground and excited electronic states each split by a vibrational quantum of a Raman active mode. Absolute frequencies and their dephasing times of the vibrational modes at ≈590 cm -1 are obtained for the excited as well as the ground electronic state. The vibrational dephasing rate in the excited electronic state is about an order of magnitude faster than that in the ground state, the origin of which is speculated upon.

Can an Electron Rotate a Brick?

Science.gov (United States)

Bohren, Craig F.

2009-01-01

In "The Theory of Almost Everything", Robert Oerter asserts the following: "Take a beam of electrons that are all spinning in the same direction and fire it at, say, a brick. If you could keep this up for long enough, and if there were no other forces acting on the brick, the electrons would transfer their rotation to the brick, and it would begin…

ExoMol molecular line lists - XVII. The rotation-vibration spectrum of hot SO₃

DEFF Research Database (Denmark)

Underwood, Daniel S.; Yurchenko, Sergei N.; Tennyson, Jonathan

2016-01-01

Sulphur trioxide (SO3) is a trace species in the atmospheres of the Earth and Venus, as well as being an industrial product and an environmental pollutant. A variational line list for 32S16O3, named UYT2, is presented containing 21 billion vibration-rotation transitions. UYT2 can be used to model...

Absolute Configuration of 3-METHYLCYCLOHEXANONE by Chiral Tag Rotational Spectroscopy and Vibrational Circular Dichroism

Science.gov (United States)

Evangelisti, Luca; Holdren, Martin S.; Mayer, Kevin J.; Smart, Taylor; West, Channing; Pate, Brooks

2017-06-01

The absolute configuration of 3-methylcyclohexanone was established by chiral tag rotational spectroscopy measurements using 3-butyn-2-ol as the tag partner. This molecule was chosen because it is a benchmark measurement for vibrational circular dichroism (VCD). A comparison of the analysis approaches of chiral tag rotational spectroscopy and VCD will be presented. One important issue in chiral analysis by both methods is the conformational flexibility of the molecule being analyzed. The analysis of conformational composition of samples will be illustrated. In this case, the high spectral resolution of molecular rotational spectroscopy and potential for spectral simplification by conformational cooling in the pulsed jet expansion are advantages for chiral tag spectroscopy. The computational chemistry requirements for the two methods will also be discussed. In this case, the need to perform conformer searches for weakly bound complexes and to perform reasonably high level quantum chemistry geometry optimizations on these complexes makes the computational time requirements less favorable for chiral tag rotational spectroscopy. Finally, the issue of reliability of the determination of the absolute configuration will be considered. In this case, rotational spectroscopy offers a "gold standard" analysis method through the determination of the ^{13}C-subsitution structure of the complex between 3-methylcyclohexanone and an enantiopure sample of the 3-butyn-2-ol tag.

Vibration Suppression of Electronic Box by a Dual Function Piezoelectric Energy Harvester-Tuned Vibration Absorber

Directory of Open Access Journals (Sweden)

Sajid Rafique

2014-04-01

Full Text Available Over the past few years, remarkable developments in piezoelectric materials have motivated many researchers to work in the field of vibration energy harvesting by using piezoelectric beam like smart structures. This paper aimed to present the most recent application of a dual function piezoelectric device which can suppress vibration and harvest vibration energy simultaneously and a brief illustration of conventional mechanical and electrical TVAs (Tuned Vibration Absorber. It is shown that the proposed dual function device combines the benefits of conventional mechanical and electrical TVAs and reduces their relative disadvantages. Conversion of mechanical energy into electrical energy introduces damping and, hence, the optimal damping required by this TVA is generated by the energy harvesting effects. This paper presents the methodology of implementing the theory of 'electromechanical' TVAs to suppress the response of any real world structure. The work also illustrates the prospect of extensive applications of such novel "electromechanical" TVAs in defence and industry. The results show that the optimum degree of vibration suppression of an electronic box is achieved by this dual function TVA through suitable tuning of the attached electrical circuitry

Vibration suppression of electronic box by a dual function piezoelectric energy harvester-tuned vibration absorber

International Nuclear Information System (INIS)

Rafique, S.; Shah, S.

2014-01-01

Over the past few years, remarkable developments in piezoelectric materials have motivated many researchers to work in the field of vibration energy harvesting by using piezoelectric beam like smart structures. This paper aimed to present the most recent application of a dual function piezoelectric device which can suppress vibration and harvest vibration energy simultaneously and a brief illustration of conventional mechanical and electrical TVAs (Tuned Vibration Absorber). It is shown that the proposed dual function device combines the benefits of conventional mechanical and electrical TVAs and reduces their relative disadvantages. Conversion of mechanical energy into electrical energy introduces damping and, hence, the optimal damping required by this TVA is generated by the energy harvesting effects. This paper presents the methodology of implementing the theory of electromechanical TVAs to suppress the response of any real world structure. The work also illustrates the prospect of extensive applications of such novel electromechanical TVAs in defence and industry. The results show that the optimum degree of vibration suppression of an electronic box is achieved by this dual function TVA through suitable tuning of the attached electrical circuitry. (author)

Computational molecular spectroscopy of X ˜ 2 Π NCS: Electronic properties and ro-vibrationally averaged structure

Science.gov (United States)

Hirano, Tsuneo; Nagashima, Umpei; Jensen, Per

2018-04-01

For NCS in the X ˜ 2 Π electronic ground state, three-dimensional potential energy surfaces (3D PESs) have been calculated ab initio at the core-valence, full-valence MR-SDCI+Q/[aug-cc-pCVQZ (N, C, S)] level of theory. The ab initio 3D PESs are employed in second-order-perturbation-theory and DVR3D calculations to obtain various molecular constants and ro-vibrationally averaged structures. The 3D PESs show that the X ˜ 2 Π NCS has its potential minimum at a linear configuration, and hence it is a "linear molecule." The equilibrium structure has re (N-C) = 1.1778 Å, re (C-S) = 1.6335 Å, and ∠e (N-C-S) = 180°. The ro-vibrationally averaged structure, determined as expectation values over DVR3D wavefunctions, has 〈 r (N-C)〉0 = 1.1836 Å, 〈 r (C-S)〉0 = 1.6356 Å, and 〈 ∠ (N-C-S)〉0 = 172.5°. Using these expectation values as the initial guess, a bent r0 structure having an 〈 ∠ (N-C-S)〉0 of 172.2° is deduced from the experimentally reported B0 values for NC32S and NC34S. Our previous prediction that a linear molecule, in any ro-vibrational state including the ro-vibrational ground state, is to be "observed" as being bent on ro-vibrational average, has been confirmed here theoretically through the expectation value for the bond-angle deviation from linearity, 〈 ρ bar 〉 , and experimentally through the interpretation of the experimentally derived rotational-constant values.

Influence of weak vibrational-electronic couplings on 2D electronic spectra and inter-site coherence in weakly coupled photosynthetic complexes

Energy Technology Data Exchange (ETDEWEB)

Monahan, Daniele M.; Whaley-Mayda, Lukas; 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, California 94720 (United States); Kavli Energy NanoSciences Institute at Berkeley, Berkeley, California 94720 (United States); Ishizaki, Akihito [Institute for Molecular Science, National Institutes of Natural Sciences, Okazaki 444-8585 (Japan)

2015-08-14

Coherence oscillations measured in two-dimensional (2D) electronic spectra of pigment-protein complexes may have electronic, vibrational, or mixed-character vibronic origins, which depend on the degree of electronic-vibrational mixing. Oscillations from intrapigment vibrations can obscure the inter-site coherence lifetime of interest in elucidating the mechanisms of energy transfer in photosynthetic light-harvesting. Huang-Rhys factors (S) for low-frequency vibrations in Chlorophyll and Bacteriochlorophyll are quite small (S ≤ 0.05), so it is often assumed that these vibrations influence neither 2D spectra nor inter-site coherence dynamics. In this work, we explore the influence of S within this range on the oscillatory signatures in simulated 2D spectra of a pigment heterodimer. To visualize the inter-site coherence dynamics underlying the 2D spectra, we introduce a formalism which we call the “site-probe response.” By comparing the calculated 2D spectra with the site-probe response, we show that an on-resonance vibration with Huang-Rhys factor as small as S = 0.005 and the most strongly coupled off-resonance vibrations (S = 0.05) give rise to long-lived, purely vibrational coherences at 77 K. We moreover calculate the correlation between optical pump interactions and subsequent entanglement between sites, as measured by the concurrence. At 77 K, greater long-lived inter-site coherence and entanglement appear with increasing S. This dependence all but vanishes at physiological temperature, as environmentally induced fluctuations destroy the vibronic mixing.

A Computer Assisted Procedure of Assignments of Vibration-Rotation Bands of Asymmetric and Symmetric Top Molecules

Czech Academy of Sciences Publication Activity Database

Urban, Štěpán; Behrend, J.; Pracna, Petr

2004-01-01

Roč. 690, - (2004), s. 105-114 ISSN 0022-2860 R&D Projects: GA MŠk ME 445; GA ČR GA203/01/1274 Institutional research plan: CEZ:AV0Z4040901 Keywords : assigments of vibration-rotation spectra * combination differences * Loomis-Wood algorithm Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.200, year: 2004

Transmission of High Frequency Vibrations in Rotating Systems. Application to Cavitation Detection in Hydraulic Turbines

Directory of Open Access Journals (Sweden)

David Valentín

2018-03-01

Full Text Available One of the main causes of damage in hydraulic turbines is cavitation. While not all cavitation appearing in a turbine is of a destructive type, erosive cavitation can severely affect the structure, thus increasing maintenance costs and reducing the remaining useful life of the machine. Of all types of cavitation, the maximum erosion occurs when clouds of bubbles collapse on the runner surface (cloud cavitation. When this occurs it is associated with a substantial increase in noise, and vibrations that are propagated everywhere throughout the machine. The generation of these cavitation clouds may occur naturally or it may be the response to a periodic pressure fluctuation, like the rotor/stator interaction in a hydraulic turbine. Erosive bubble cavitation generates high-frequency vibrations that are modulated by the shedding frequency. Therefore, the methods for the detection of erosive cavitation in hydraulic turbines are based on the measurement and demodulation of high-frequency vibrations. In this paper, the feasibility of detecting erosive cavitation in hydraulic turbines is investigated experimentally in a rotating disk system, which represents a simplified hydraulic turbine structure. The test rig used consists of a rotating disk submerged in a tank of water and confined with nearby axial and radial rigid surfaces. The excitation patterns produced by cloud cavitation are reproduced with a PZT (piezoelectric patch located on the disk. These patterns include pseudo-random excitations of different frequency bands modulated by one low carrier frequency, which model the erosive cavitation characteristics. Different types of sensors have been placed in the stationary and in the rotating parts (accelerometers, acoustic emission (AE, and a microphone in order to detect the excitation pattern. The results obtained for all the sensors tested have been compared in detail for the different excitation patterns applied to the disk. With this information

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

ExoMol line lists - VII. The rotation-vibration spectrum of phosphine up to 1500 K

Science.gov (United States)

Sousa-Silva, Clara; Al-Refaie, Ahmed F.; Tennyson, Jonathan; Yurchenko, Sergei N.

2015-01-01

A comprehensive hot line list is calculated for 31PH3 in its ground electronic state. This line list, called SAlTY, contains almost 16.8 billion transitions between 7.5 million energy levels and it is suitable for simulating spectra up to temperatures of 1500 K. It covers wavelengths longer than 1 μm and includes all transitions to upper states with energies below hc × 18 000 cm-1 and rotational excitation up to J = 46. The line list is computed by variational solution of the Schrödinger equation for the rotation-vibration motion employing the nuclear-motion program TROVE. A previously reported ab initio dipole moment surface is used as well as an updated `spectroscopic' potential energy surface, obtained by refining an existing ab initio surface through least-squares fitting to the experimentally derived energies. Detailed comparisons with other available sources of phosphine transitions confirms SAlTY's accuracy and illustrates the incompleteness of previous experimental and theoretical compilations for temperatures above 300 K. Atmospheric models are expected to severely underestimate the abundance of phosphine in disequilibrium environments, and it is predicted that phosphine will be detectable in the upper troposphere of many substellar objects. This list is suitable for modelling atmospheres of many astrophysical environments, namely carbon stars, Y dwarfs, T dwarfs, hot Jupiters and Solar system gas giant planets. It is available in full from the Strasbourg data centre, CDS, and at www.exomol.com.

Anharmonic vibrational properties in periodic systems: energy, electron-phonon coupling, and stress

OpenAIRE

Monserrat, Bartomeu; Drummond, N. D.; Needs, R. J.

2013-01-01

A unified approach is used to study vibrational properties of periodic systems with first-principles methods and including anharmonic effects. Our approach provides a theoretical basis for the determination of phonon-dependent quantities at finite temperatures. The low-energy portion of the Born-Oppenheimer energy surface is mapped and used to calculate the total vibrational energy including anharmonic effects, electron-phonon coupling, and the vibrational contribution to the stress tensor. W...

The rotational spectrum of IBr

International Nuclear Information System (INIS)

Tiemann, E.; Moeller, T.

1975-01-01

The microwave spectrum of IBr was measured in the low rotational transition J = 3 → 2 in order to resolve the hyperfine structure as completely as possible. Rotational constants and quadrupole coupling constants were derived for both nuclei. The observation of the rotational spectrum in different vibrational states yields the vibrational dependence of the rotational constants as well as of the hyperfine parameters. The Dunham potential coefficients α 0 , α 1 , α 2 , α 3 are given. (orig.) [de

A projection-based model reduction strategy for the wave and vibration analysis of rotating periodic structures

Science.gov (United States)

Beli, D.; Mencik, J.-M.; Silva, P. B.; Arruda, J. R. F.

2018-05-01

The wave finite element method has proved to be an efficient and accurate numerical tool to perform the free and forced vibration analysis of linear reciprocal periodic structures, i.e. those conforming to symmetrical wave fields. In this paper, its use is extended to the analysis of rotating periodic structures, which, due to the gyroscopic effect, exhibit asymmetric wave propagation. A projection-based strategy which uses reduced symplectic wave basis is employed, which provides a well-conditioned eigenproblem for computing waves in rotating periodic structures. The proposed formulation is applied to the free and forced response analysis of homogeneous, multi-layered and phononic ring structures. In all test cases, the following features are highlighted: well-conditioned dispersion diagrams, good accuracy, and low computational time. The proposed strategy is particularly convenient in the simulation of rotating structures when parametric analysis for several rotational speeds is usually required, e.g. for calculating Campbell diagrams. This provides an efficient and flexible framework for the analysis of rotordynamic problems.

Asymptotically-correct description of vibration-rotation spectrum of diatomic molecule with hydrogen iodide molecule as example

International Nuclear Information System (INIS)

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

1990-01-01

Asymptotically correct series of perturbation theory was constructed analytically to describe the vibration-rotational spectrum of diatomic molecule in Born-Oppenheimer approximation. The series was used for processing of precision experimental data on frequencies of absorption of hydrogen iodide molecule. Advantage of this approach over Dunham approach is shown. Isotope ratios for spectroscopic constants of asymptotically correct series are considered

Differential cross sections for electron-impact vibrational-excitation of tetrahydrofuran at intermediate impact energies

Energy Technology Data Exchange (ETDEWEB)

Do, T. P. T. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); School of Education, Can Tho University, Campus II, 3/2 Street, Xuan Khanh, Ninh Kieu, Can Tho City (Viet Nam); Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Konovalov, D. A.; White, R. D. [College of Science, Technology and Engineering, James Cook University, Townsville (Australia); Brunger, M. J., E-mail: michael.brunger@flinders.edu.au, E-mail: darryl.jones@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia); Jones, D. B., E-mail: michael.brunger@flinders.edu.au, E-mail: darryl.jones@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia)

2015-03-28

We report differential cross sections (DCSs) for electron-impact vibrational-excitation of tetrahydrofuran, at intermediate incident electron energies (15-50 eV) and over the 10°-90° scattered electron angular range. These measurements extend the available DCS data for vibrational excitation for this species, which have previously been obtained at lower incident electron energies (≤20 eV). Where possible, our data are compared to the earlier measurements in the overlapping energy ranges. Here, quite good agreement was generally observed where the measurements overlapped.

Electron-impact excitation of molecular ions

International Nuclear Information System (INIS)

Neufeld, D.A.; Dalgarno, A.

1989-01-01

A simple expression is derived that relates the rate coefficient for dipole-allowed electron-impact excitation of a molecular ion in the Coulomb-Born approximation to the Einstein A coefficient for the corresponding radiative decay. Results are given for several molecular ions of astrophysical interest. A general analytic expression is obtained for the equilibrium rotational level populations in the ground vibrational state of any molecular ion excited by collisions with electrons. The expression depends only upon the electron temperature, the electron density, and the rotational constant of the molecular ion. A similar expression is obtained for neutral polar molecules

Electronic and vibrational hopping transport in boron carbides

International Nuclear Information System (INIS)

Emin, D.

1991-01-01

General concepts of hopping-type transport and localization are reviewed. Disorder, electronic correlations and atomic displacements, effects ignored in electronic band structure calculations, foster localization of electronic charge carriers. Examples are given that illustrate the efficacy of these effects in producing localization. This introduction is followed by a brief discussion of the relation between hopping-type transport and localization. The fundamentals of the formation, localization, and hopping transport of small polarons and/or bipolarons is then described. Electronic transport in boron carbides is presented as an example of the adiabatic hopping of small bipolarons. Finally, the notion of vibrational hopping is introduced. The high-temperature thermal diffusion in boron carbides is presented as a potential application of this idea

Abnormal vibration of turbine due to oil whip

International Nuclear Information System (INIS)

Koo, Jae Raeyang; Hwang, Jae Hyeon

2001-01-01

Almost all rotating machinery has bearings. Bearing is one of the most important part of rotating machinery. Vibration of rotating machinery depend on its bearing conditions. Bearing conditions are following; oil gap, bearing type, bearing temperature, bearing oil condition. Especially, bearing oil condition influences on rotating machinery vibration directly. In this paper we have discussed the abnormal vibration of turbine due to oil condition. Oil whip problem was occurred in the certain power plant and we had solved this problem through the control of operating values and alignment

State-to-state dynamics at the gas-liquid metal interface: rotationally and electronically inelastic scattering of NO[2Π(1/2)(0.5)] from molten gallium.

Science.gov (United States)

Ziemkiewicz, Michael P; Roscioli, Joseph R; Nesbitt, David J

2011-06-21

Jet cooled NO molecules are scattered at 45° with respect to the surface normal from a liquid gallium surface at E(inc) from 1.0(3) to 20(6) kcal/mol to probe rotationally and electronically inelastic scattering from a gas-molten metal interface (numbers in parenthesis represent 1σ uncertainty in the corresponding final digits). Scattered populations are detected at 45° by confocal laser induced fluorescence (LIF) on the γ(0-0) and γ(1-1) A(2)Σ ← X(2)Π(Ω) bands, yielding rotational, spin-orbit, and λ-doublet population distributions. Scattering of low speed NO molecules results in Boltzmann distributions with effective temperatures considerably lower than that of the surface, in respectable agreement with the Bowman-Gossage rotational cooling model [J. M. Bowman and J. L. Gossage, Chem. Phys. Lett. 96, 481 (1983)] for desorption from a restricted surface rotor state. Increasing collision energy results in a stronger increase in scattered NO rotational energy than spin-orbit excitation, with an opposite trend noted for changes in surface temperature. The difference between electronic and rotational dynamics is discussed in terms of the possible influence of electron hole pair excitations in the conducting metal. While such electronically non-adiabatic processes can also influence vibrational dynamics, the γ(1-1) band indicates rotational energy transfer is compared from a hard cube model perspective with previous studies of NO scattering from single crystal solid surfaces. Despite a lighter atomic mass (70 amu), the liquid Ga surface is found to promote translational to rotational excitation more efficiently than Ag(111) (108 amu) and nearly as effectively as Au(111) (197 amu). The enhanced propensity for Ga(l) to transform incident translational energy into rotation is discussed in terms of temperature-dependent capillary wave excitation of the gas-liquid metal interface. © 2011 American Institute of Physics

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.)

Rotational total skin electron irradiation with a linear accelerator

Science.gov (United States)

Evans, Michael D.C.; Devic, Slobodan; Parker, William; Freeman, Carolyn R.; Roberge, David; Podgorsak, Ervin B.

2008-01-01

The rotational total skin electron irradiation (RTSEI) technique at our institution has undergone several developments over the past few years. Replacement of the formerly used linear accelerator has prompted many modifications to the previous technique. With the current technique, the patient is treated with a single large field while standing on a rotating platform, at a source‐to‐surface distance of 380 cm. The electron field is produced by a Varian 21EX linear accelerator using the commercially available 6 MeV high dose rate total skin electron mode, along with a custom‐built flattening filter. Ionization chambers, radiochromic film, and MOSFET (metal oxide semiconductor field effect transistor) detectors have been used to determine the dosimetric properties of this technique. Measurements investigating the stationary beam properties, the effects of full rotation, and the dose distributions to a humanoid phantom are reported. The current treatment technique and dose regimen are also described. PACS numbers: 87.55.ne, 87.53.Hv, 87.53.Mr

Algebraic descriptions of nuclear and molecular rotation-vibration spectra

International Nuclear Information System (INIS)

Roosmalen, O.S. van.

1982-01-01

The application of algebraic models to the description of rotational and vibrational degrees of freedom of nuclei and molecules are discussed. Simple model Hamiltonians are shown to give good agreement with the energy spectra of diatomic molecules and nuclei. Some formal aspects of path integral methods for many-boson systems are treated. The two representations for the quantum mechanical propagator are compared and appear to be identical in leading order in 1/N (N is the number of bosons). Approximations for both are static and dynamic problems are discussed. Applications of mean field techniques are also treated. A description of tri- and tetra-atomic molecules in terms of a U(4)xU(4) and U(4)xU(4)xU(4) group structure is given. Linear molecules appear to correspond with symmetries of O(4) type. S-matrix elements are calculated to test mean field methods, and the results compared with exact calculations. (Auth.)

Time delay for resonant vibrational excitation in electron--molecule collisions

International Nuclear Information System (INIS)

Gauyacq, J.P.

1990-01-01

An analysis of the time delay associated with vibrational excitation in electron--molecule collision is presented. It consists of a direct study of the time dependence of the process for three model systems. An electron wave packet, that is narrow in time, is sent on the target and the amplitudes in the different inelastic channels are studied as functions of time. The time delay is found to correspond to very different time effects: broadenings, shifts in time of the wave packet, but also complex distortions that cannot be represented by a time delay. The direct analysis of the scattered wave also provides new insights into the vibrational excitation process. It should be a useful tool to analyze complex collision processes

Automated misfire diagnosis in engines using torsional vibration and block rotation

International Nuclear Information System (INIS)

Chen, J; Randall, R B; Peeters, B; Auweraer, H Van der; Desmet, W

2012-01-01

Even though a lot of research has gone into diagnosing misfire in IC engines, most approaches use torsional vibration of the crankshaft, and only a few use the rocking motion (roll) of the engine block. Additionally, misfire diagnosis normally requires an expert to interpret the analysis results from measured vibration signals. Artificial Neural Networks (ANNs) are potential tools for the automated misfire diagnosis of IC engines, as they can learn the patterns corresponding to various faults. This paper proposes an ANN-based automated diagnostic system which combines torsional vibration and rotation of the block for more robust misfire diagnosis. A critical issue with ANN applications is the network training, and it is improbable and/or uneconomical to expect to experience a sufficient number of different faults, or generate them in seeded tests, to obtain sufficient experimental results for the network training. Therefore, new simulation models, which can simulate combustion faults in engines, were developed. The simulation models are based on the thermodynamic and mechanical principles of IC engines and therefore the proposed misfire diagnostic system can in principle be adapted for any engine. During the building process of the models, based on a particular engine, some mechanical and physical parameters, for example the inertial properties of the engine parts and parameters of engine mounts, were first measured and calculated. A series of experiments were then carried out to capture the vibration signals for both normal condition and with a range of faults. The simulation models were updated and evaluated by the experimental results. Following the signal processing of the experimental and simulation signals, the best features were selected as the inputs to ANN networks. The automated diagnostic system comprises three stages: misfire detection, misfire localization and severity identification. Multi-layer Perceptron (MLP) and Probabilistic Neural Networks were

Electron affinities of atoms, molecules, and radicals

International Nuclear Information System (INIS)

Christodoulides, A.A.; McCorkle, D.L.; Christophorou, L.G.

1982-01-01

We review briefly but comprehensively the theoretical, semiempirical and experimental methods employed to determine electron affinities (EAs) of atoms, molecules and radicals, and summarize the EA data obtained by these methods. The detailed processes underlying the principles of the experimental methods are discussed very briefly. It is, nonetheless, instructive to recapitulate the definition of EA and those of the related quantities, namely, the vertical detachment energy, VDE, and the vertical attachment energy, VAE. The EA of an atom is defined as the difference in total energy between the ground state of the neutral atom (plus the electron at rest at infinity) and its negative ion. The EA of a molecule is defined as the difference in energy between the neutral molecule plus an electron at rest at infinity and the molecular negative ion when both, the neutral molecules and the negative ion, are in their ground electronic, vibrational and rotational states. The VDE is defined as the minimum energy required to eject the electron from the negative ion (in its ground electronic and nuclear state) without changing the internuclear separation; since the vertical transition may leave the neutral molecule in an excited vibrational/rotational state, the VDE, although the same as the EA for atoms is, in general, different (larger than), from the EA for molecules. Similarly, the VAE is defined as the difference in energy between the neutral molecule in its ground electronic, vibrational and rotational states plus an electron at rest at infinity and the molecular negative ion formed by addition of an electron to the neutral molecule without allowing a change in the intermolecular separation of the constituent nuclei; it is a quantity appropriate to those cases where the lowest negative ion state lies above the ground states of the neutral species and is less or equal to EA

A new potential energy surface for vibration-vibration coupling in HF-HF collisions. Formulation and quantal scattering calculations

Science.gov (United States)

Schwenke, David W.; Truhlar, Donald G.

1988-04-01

We present new ab initio calculations of the HF-HF interaction potential for the case where both molecules are simultaneously displaced from their equilibrium internuclear distance. These and previous ab initio calculations are then fit to a new analytic representation which is designed to be efficient to evaluate and to provide an especially faithful account of the forces along the vibrational coordinates. We use the new potential for two sets of quantal scattering calculations for collisions in three dimensions with total angular momentum zero. First we test that the angular harmonic representation of the anisotropy is adequate by comparing quantal rigid rotator calculations to those carried out for potentials involving higher angular harmonics and for which the expansion in angular harmonics is systematically increased to convergence. Then we carry out large-scale quantal calculations of vibration-vibration energy transfer including the coupling of both sets of vibrational and rotational coordinates. These calculations indicate that significant rotational energy transfer accompanies the vibration-to-vibration energy transfer process.

Vibrational lifetimes of hydrogen on lead films: An ab initio molecular dynamics with electronic friction (AIMDEF) study

Energy Technology Data Exchange (ETDEWEB)

Saalfrank, Peter [Institut für Chemie, Universität Potsdam, Karl-Liebknecht-Strasse 24-25, D-14476 Potsdam (Germany); Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain); Juaristi, J. I. [Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain); Centro de Física de Materiales CFM/MPC (CSIC-UPV/EHU), Paseo Manuel de Lardizabal 5, 20018 Donostia-San Sebastián (Spain); Departamento de Física de Materiales, Facultad de Químicas UPV/EHU, Apartado 1072, 20018 Donostia-San Sebastián (Spain); Alducin, M.; Muiño, R. Díez [Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain); Centro de Física de Materiales CFM/MPC (CSIC-UPV/EHU), Paseo Manuel de Lardizabal 5, 20018 Donostia-San Sebastián (Spain); Blanco-Rey, M. [Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain); Departamento de Física de Materiales, Facultad de Químicas UPV/EHU, Apartado 1072, 20018 Donostia-San Sebastián (Spain)

2014-12-21

Using density functional theory and Ab Initio Molecular Dynamics with Electronic Friction (AIMDEF), we study the adsorption and dissipative vibrational dynamics of hydrogen atoms chemisorbed on free-standing lead films of increasing thickness. Lead films are known for their oscillatory behaviour of certain properties with increasing thickness, e.g., energy and electron spillout change in discontinuous manner, due to quantum size effects [G. Materzanini, P. Saalfrank, and P. J. D. Lindan, Phys. Rev. B 63, 235405 (2001)]. Here, we demonstrate that oscillatory features arise also for hydrogen when chemisorbed on lead films. Besides stationary properties of the adsorbate, we concentrate on finite vibrational lifetimes of H-surface vibrations. As shown by AIMDEF, the damping via vibration-electron hole pair coupling dominates clearly over the vibration-phonon channel, in particular for high-frequency modes. Vibrational relaxation times are a characteristic function of layer thickness due to the oscillating behaviour of the embedding surface electronic density. Implications derived from AIMDEF for frictional many-atom dynamics, and physisorbed species will also be given.

Rotational Laser Cooling of Vibrationally and Translationally Cold Molecular Ions

DEFF Research Database (Denmark)

Drewsen, Michael

2011-01-01

an excellent alternative to atomic qubits in the realization of a practical ion trap based quantum computer due to favourable internal state decoherence rates. In chemistry, state prepared molecular targets are an ideal starting point for uni-molecular reactions, including coherent control...... of photofragmentation through the application of various laser sources [5,6]. In cold bi-molecular reactions, where the effect of even tiny potential barriers becomes significant, experiments with state prepared molecules can yield important information on the details of the potential curves of the molecular complexes...... by sympathetic cooling with Doppler laser cooled Mg+ ions. Giving the time for the molecules to equilibrate internally to the room temperature blackbody radiation, the vibrational degree of freedom will freeze out, leaving only the rotational degree of freedom to be cooled. We report here on the implementation...

Electronic, vibrational and related properties of group IV metal oxides by ab initio calculations

International Nuclear Information System (INIS)

Leite Alves, H.W.; Silva, C.C.; Lino, A.T.; Borges, P.D.; Scolfaro, L.M.R.; Silva, E.F. da

2008-01-01

We present our theoretical results for the structural, electronic, vibrational and optical properties of MO 2 (M = Sn, Zr, Hf and Ti) obtained by first-principles calculations. Relativistic effects are demonstrated to be important for a realistic description of the detailed structure of the electronic frequency-dependent dielectric function, as well as of the carrier effective masses. Based on our results, we found that the main contribution of the high values calculated for the oxides dielectric constants arises from the vibrational properties of these oxides, and the vibrational static dielectric constant values diminish with increasing pressure

Electron impact study of potassium hydroxide

International Nuclear Information System (INIS)

Vuskovic, L.; Trajmar, S.

1979-01-01

An ''elastic'' scattering study for low impact energies (5--20 ev) is reported for electron impact excitation of KOH. The ''elastic'' scattering is regarded as the sum of elastic rotational and vibrational contributions to the scattering

Some fundamental questions concerning the kinetic theory of electrons in molecular gases and the e H2 vibrational cross section controversy

Science.gov (United States)

Robson, R. E.; White, R. D.; Morrison, Michael A.

2003-10-01

We commence a fundamental re-examination of the kinetic theory of charged particle swarms in molecular gases, focusing on collisional excitation of molecular rotational and ro-vibrational states by electrons. Modern day analysis of electron swarms has been based upon the kinetic equation of Wang-Chang et al, which simply treats all processes as scalar energy excitations, and ignores angular momentum conservation and the vector dynamics associated with rotational excitation. It is pointed out that there is no alternative, more exact kinetic equation readily available for electrons which enables one to directly ascertain the degree of error introduced by this approximation. Thus in this preliminary study, we approach the problem indirectly, from the standpoint of the neutral molecules, using the Waldmann-Snider quantum kinetic equation, and insist that an electron-molecule collision must look the same from the perspective of both electron and molecule. We give a formula for quantitatively assessing the importance of scalar versus vectorial treatments of rotational excitation by looking at the post-collisional 'echo' produced by an electron swarm as it passes through the gas. It is then pointed out that in order to remedy any deficiency, it will be necessary to introduce a kinetic collisional operator non-local in space to properly account for angular momentum conservation, as has long been established in the literature. This is a major exercise and given the preliminary nature of this study, we consider the inclusion of such effects from a formal point of view only. In particular we show how non-local effects lead to a spatially dependent 'source' term in the equation of continuity, and hence to corrections for both drift velocity and diffusion coefficients. The magnitude of these corrections has yet to be established.

Some fundamental questions concerning the kinetic theory of electrons in molecular gases and the e-H2 vibrational cross section controversy

International Nuclear Information System (INIS)

Robson, R E; White, R D; Morrison, Michael A

2003-01-01

We commence a fundamental re-examination of the kinetic theory of charged particle swarms in molecular gases, focusing on collisional excitation of molecular rotational and ro-vibrational states by electrons. Modern day analysis of electron swarms has been based upon the kinetic equation of Wang-Chang et al, which simply treats all processes as scalar energy excitations, and ignores angular momentum conservation and the vector dynamics associated with rotational excitation. It is pointed out that there is no alternative, more exact kinetic equation readily available for electrons which enables one to directly ascertain the degree of error introduced by this approximation. Thus in this preliminary study, we approach the problem indirectly, from the standpoint of the neutral molecules, using the Waldmann-Snider quantum kinetic equation, and insist that an electron-molecule collision must look the same from the perspective of both electron and molecule. We give a formula for quantitatively assessing the importance of scalar versus vectorial treatments of rotational excitation by looking at the post-collisional 'echo' produced by an electron swarm as it passes through the gas. It is then pointed out that in order to remedy any deficiency, it will be necessary to introduce a kinetic collisional operator non-local in space to properly account for angular momentum conservation, as has long been established in the literature. This is a major exercise and given the preliminary nature of this study, we consider the inclusion of such effects from a formal point of view only. In particular we show how non-local effects lead to a spatially dependent 'source' term in the equation of continuity, and hence to corrections for both drift velocity and diffusion coefficients. The magnitude of these corrections has yet to be established

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

Rotational structure in molecular infrared spectra

CERN Document Server

di Lauro, Carlo

2013-01-01

Recent advances in infrared molecular spectroscopy have resulted in sophisticated theoretical and laboratory methods that are difficult to grasp without a solid understanding of the basic principles and underlying theory of vibration-rotation absorption spectroscopy. Rotational Structure in Molecular Infrared Spectra fills the gap between these recent, complex topics and the most elementary methods in the field of rotational structure in the infrared spectra of gaseous molecules. There is an increasing need for people with the skills and knowledge to interpret vibration-rotation spectra in many scientific disciplines, including applications in atmospheric and planetary research. Consequently, the basic principles of vibration-rotation absorption spectroscopy are addressed for contemporary applications. In addition to covering operational quantum mechanical methods, spherical tensor algebra, and group theoretical methods applied to molecular symmetry, attention is also given to phase conventions and their effe...

Performance enhancement of a rotational energy harvester utilizing wind-induced vibration of an inclined stay cable

International Nuclear Information System (INIS)

Kim, In-Ho; Jung, Hyung-Jo; Jang, Seon-Jun

2013-01-01

In this paper, an innovative strategy for improving the performance of a recently developed rotational energy harvester is proposed. Its performance can be considerably enhanced by replacing the electromagnetic induction part, consisting of moving permanent magnets and a fixed solenoid coil, with a moving mass and a rotational generator (i.e., an electric motor). The proposed system is easily tuned to the natural frequency of a target structure using the position change of a proof mass. Owing to the high efficiency of the rotational generator, the device can more effectively harness electrical energy from the wind-induced vibration of a stay cable. Also, this new configuration makes the device more compact and geometrically tunable. In order to validate the effectiveness of the new configuration, a series of laboratory and field tests are carried out with the prototype of the proposed device, which is designed and fabricated based on the dynamic characteristics of the vibration of a stay cable installed in an in-service cable-stayed bridge. From the field test, it is observed that the normalized output power of the proposed system is 35.67 mW (m s −2 ) −2 , while that of the original device is just 5.47 mW (m s −2 ) −2 . These results show that the proposed device generates much more electrical energy than the original device. Moreover, it is verified that the proposed device can generate sufficient electricity to power a wireless sensor node placed on a cable under gentle–moderate wind conditions. (paper)

Rotational Laser Cooling of Vibrationally and Translationally Cold Molecular Ions

DEFF Research Database (Denmark)

Drewsen, Michael

2011-01-01

[7,8,9]. Furthermore, in order to learn more about the chemistry in interstellar clouds, astrochemists can benefit greatly from direct measurements on cold reactions in laboratories [9]. Working with MgH+ molecular ions in a linear Paul trap, we routinely cool their translational degree of freedom...... by sympathetic cooling with Doppler laser cooled Mg+ ions. Giving the time for the molecules to equilibrate internally to the room temperature blackbody radiation, the vibrational degree of freedom will freeze out, leaving only the rotational degree of freedom to be cooled. We report here on the implementation...... results imply that, through this technique, cold molecular-ion experiments can now be carried out at cryogenic temperatures in room-temperature set-ups. References [1] Koelemeij, J. C. J., Roth, B., Wicht, A., Ernsting, I. and Schiller, S., Phys. Rev. Lett. 98, 173002 (2007). [2] Hudson, J. J., Sauer, B...

The Impact of Complex Forcing on the Viscous Torsional Vibration Damper’s Work in the Crankshaft of the Rotating Combustion Engine

Directory of Open Access Journals (Sweden)

Jagiełowicz-Ryznar C.

2016-12-01

Full Text Available The numerical calculations results of torsional vibration of the multi-cylinder crankshaft in the serial combustion engine (MC, including a viscous damper (VD, at complex forcing, were shown. In fact, in the MC case the crankshaft rotation forcings spectrum is the sum of harmonic forcing whose amplitude can be compared with the amplitude of the 1st harmonic. A significant impact, in the engine operational velocity, on the vibration damping process of MC, may be the amplitude of the 2nd harmonic of a forcing moment. The calculations results of MC vibration, depending on the amplitude of the 2nd harmonic of the forcing moment, for the first form of the torsional vibration, were shown. Higher forms of torsional vibrations have no practical significance. The calculations assume the optimum damping coefficient VD, when the simple harmonic forcing is equal to the base critical velocity of the MC crankshaft.

Research on Free Vibration Frequency Characteristics of Rotating Functionally Graded Material Truncated Conical Shells with Eccentric Functionally Graded Material Stringer and Ring Stiffeners

Directory of Open Access Journals (Sweden)

Dao Van Dung

Full Text Available Abstract In this research work, an exact analytical solution for frequency characteristics of the free vibration of rotating functionally graded material (FGM truncated conical shells reinforced by eccentric FGM stringers and rings has been investigated by the displacement function method. Material properties of shell and stiffeners are assumed to be graded in the thickness direction according to a simple power law distribution. The change of spacing between stringers is considered. Using the Donnell shell theory, Leckhnisky smeared stiffeners technique and taking into account the influences of centrifugal force and Coriolis acceleration the governing equations are derived. For stiffened FGM conical shells, it is difficult that free vibration equations are a couple set of three variable coefficient partial differential equations. By suitable transformations and applying Galerkin method, this difficulty is overcome in the paper. The sixth order polynomial equation for w is obtained and it is used to analyze the frequency characteristics of rotating ES-FGM conical shells. Effects of stiffener, geometrics parameters, cone angle, vibration modes and rotating speed on frequency characteristics of the shell forward and backward wave are discussed in detail. The present approach proves to be reliable and accurate by comparing with published results available in the literature.

Vibrational and electronic excitation of hexatriacontane thin films by low energy electron impact

International Nuclear Information System (INIS)

Vilar, M.R.; Schott, M.; Pfluger, P.

1990-01-01

Thin polycrystalline films of hexatriacontane (HTC) were irradiated with low energy (E=0.5--15 eV) electrons, and off-specular backscattered electron spectra were measured. Below E∼7 eV, single and multiple vibrational excitations only are observed, which relax the electrons down to the bottom of the HTC conduction band. Due to the negative electron affinity of HTC, thermal electrons are emitted into vacuum. Structure in the backscattered electron current at kinetic energies about 1.5 and 4 eV are associated to conduction band density of states. Above E∼7 eV, the dominant losses correspond to electronic excitations, excitons, or above a threshold (energy of the electron inside the HTC film) at 9.2±0.1 eV, electron--hole pair generation. The latter process is very efficient and reaches a yield of the order of one ∼11 eV. Evidence for chemical reaction above E∼4 eV is observed

Nonlinear CARS measurement of nitrogen vibrational and rotational temperatures behind hypervelocity strong shock wave

Science.gov (United States)

Osada, Takashi; Endo, Youichi; Kanazawa, Chikara; Ota, Masanori; Maeno, Kazuo

2009-02-01

The hypervelocity strong shock waves are generated, when the space vehicles reenter the atmosphere from space. Behind the shock wave radiative and non-equilibrium flow is generated in front of the surface of the space vehicle. Many studies have been reported to investigate the phenomena for the aerospace exploit and reentry. The research information and data on the high temperature flows have been available to the rational heatproof design of the space vehicles. Recent development of measurement techniques with laser systems and photo-electronics now enables us to investigate the hypervelocity phenomena with greatly advanced accuracy. In this research strong shock waves are generated in low-density gas to simulate the reentry range gas flow with a free-piston double-diaphragm shock tube, and CARS (Coherent Anti-stokes Raman Spectroscopy) measurement method is applied to the hypervelocity flows behind the shock waves, where spectral signals of high space/time resolution are acquired. The CARS system consists of YAG and dye lasers, a spectroscope, and a CCD camera system. We obtain the CARS signal spectrum data by this special time-resolving experiment, and the vibrational and rotational temperatures of N2 are determined by fitting between the experimental spectroscopic profile data and theoretically estimated spectroscopic data.

Nonlinear CARS measurement of nitrogen vibrational and rotational temperatures behind hypervelocity strong shock wave

Energy Technology Data Exchange (ETDEWEB)

Osada, Takashi; Endo, Youichi [Graduate Student, Chiba University 1-33 Yayoi, Inage, Chiba, 263-8522 (Japan); Kanazawa, Chikara [Undergraduate, Chiba University 1-33 Yayoi, Inage, Chiba, 63-8522 (Japan); Ota, Masanori; Maeno, Kazuo, E-mail: maeno@faculty.chiba-u.j [Graduate School of Engineering, Chiba University 1-33 Yayoi, Inage, Chiba, 263-8522 (Japan)

2009-02-01

The hypervelocity strong shock waves are generated, when the space vehicles reenter the atmosphere from space. Behind the shock wave radiative and non-equilibrium flow is generated in front of the surface of the space vehicle. Many studies have been reported to investigate the phenomena for the aerospace exploit and reentry. The research information and data on the high temperature flows have been available to the rational heatproof design of the space vehicles. Recent development of measurement techniques with laser systems and photo-electronics now enables us to investigate the hypervelocity phenomena with greatly advanced accuracy. In this research strong shock waves are generated in low-density gas to simulate the reentry range gas flow with a free-piston double-diaphragm shock tube, and CARS (Coherent Anti-stokes Raman Spectroscopy) measurement method is applied to the hypervelocity flows behind the shock waves, where spectral signals of high space/time resolution are acquired. The CARS system consists of YAG and dye lasers, a spectroscope, and a CCD camera system. We obtain the CARS signal spectrum data by this special time-resolving experiment, and the vibrational and rotational temperatures of N{sub 2} are determined by fitting between the experimental spectroscopic profile data and theoretically estimated spectroscopic data.

Nonlinear CARS measurement of nitrogen vibrational and rotational temperatures behind hypervelocity strong shock wave

International Nuclear Information System (INIS)

Osada, Takashi; Endo, Youichi; Kanazawa, Chikara; Ota, Masanori; Maeno, Kazuo

2009-01-01

The hypervelocity strong shock waves are generated, when the space vehicles reenter the atmosphere from space. Behind the shock wave radiative and non-equilibrium flow is generated in front of the surface of the space vehicle. Many studies have been reported to investigate the phenomena for the aerospace exploit and reentry. The research information and data on the high temperature flows have been available to the rational heatproof design of the space vehicles. Recent development of measurement techniques with laser systems and photo-electronics now enables us to investigate the hypervelocity phenomena with greatly advanced accuracy. In this research strong shock waves are generated in low-density gas to simulate the reentry range gas flow with a free-piston double-diaphragm shock tube, and CARS (Coherent Anti-stokes Raman Spectroscopy) measurement method is applied to the hypervelocity flows behind the shock waves, where spectral signals of high space/time resolution are acquired. The CARS system consists of YAG and dye lasers, a spectroscope, and a CCD camera system. We obtain the CARS signal spectrum data by this special time-resolving experiment, and the vibrational and rotational temperatures of N 2 are determined by fitting between the experimental spectroscopic profile data and theoretically estimated spectroscopic data.

Faraday rotation in an electron-positron plasma containing a fraction of ions

International Nuclear Information System (INIS)

Hall, J.O.; Shukla, P.K.

2005-01-01

The Faraday rotation in a magnetized electron-positron plasma containing a fraction of ions is investigated by using a multifluid description. It is shown that the Faraday rotation for circularly polarized electromagnetic waves with frequencies much larger than the electron/positron plasma and electron gyrofrequencies is proportional to the ion number density and the magnitude of the ambient magnetic-field strength. The results are relevant for astrophysical observations and diagnostics of laboratory electron-positron-ion magnetoplasmas

Observations of rotation in JET plasmas with electron heating by ion cyclotron resonance heating

DEFF Research Database (Denmark)

Hellsten, T.; Johnson, T. J.; Van Eester, D.

2012-01-01

The rotation of L-mode plasmas in the JET tokamak heated by waves in the ion cyclotron range of frequencies (ICRF) damped on electrons, is reported. The plasma in the core is found to rotate in the counter-current direction with a high shear and in the outer part of the plasma with an almost......, electron absorption of the fast magnetosonic wave by transit time magnetic pumping and electron Landau damping (TTMP/ELD) is the dominating absorption mechanism. Inverted mode conversion is done in (He-3)-H plasmas where the mode converted waves are essentially absorbed by electron Landau damping. Similar...... rotation profiles are seen when heating at the second harmonic cyclotron frequency of He-3 and with mode conversion at high concentrations of He-3. The magnitude of the counter-rotation is found to decrease with an increasing plasma current. The correlation of the rotation with the electron temperature...

Quantum decoherence in electronic current flowing through carbon nanotubes induced by thermal atomic vibrations

Science.gov (United States)

Ishizeki, Keisuke; Sasaoka, Kenji; Konabe, Satoru; Souma, Satofumi; Yamamoto, Takahiro

2018-06-01

We theoretically investigate quantum decoherence in electronic currents flowing through metallic carbon nanotubes caused by thermal atomic vibrations using the time-dependent Schrödinger equation for an open system. We reveal that the quantum coherence of conduction electrons decays exponentially with tube length at a fixed temperature, and that the decay rate increases with temperature. We also find that the phase relaxation length due to the thermal atomic vibrations is inversely proportional to temperature.

Effect of slow, small movement on the vibration-evoked kinesthetic illusion.

Science.gov (United States)

Cordo, P J; Gurfinkel, V S; Brumagne, S; Flores-Vieira, C

2005-12-01

The study reported in this paper investigated how vibration-evoked illusions of joint rotation are influenced by slow (0.3 degrees /s), small (2-4 degrees ) passive rotation of the joint. Normal human adults (n=15) matched the perceived position of the left ("reference") arm with the right ("matching") arm while vibration (50 pps, 0.5 mm) was applied for 30 s to the relaxed triceps brachii of the reference arm. Both arms were constrained to rotate horizontally at the elbow. Three experimental conditions were investigated: (1) vibration of the stationary reference arm, (2) slow, small passive extension or flexion of the reference arm during vibration, and (3) slow, small passive extension or flexion of the reference arm without vibration. Triceps brachii vibration at 50 pps induced an illusion of elbow flexion. The movement illusion began after several seconds, relatively fast to begin with and gradually slowing down to a stop. On average, triceps vibration produced illusory motion at an average latency of 6.3 s, amplitude of 9.7 degrees , velocity of 0.6 degrees /s, and duration of 16.4 s. During vibration, slow, small ( approximately 0.3 degrees /s, 1.3 degrees ) passive rotations of the joint dramatically enhanced, stopped, or reversed the direction of illusory movement, depending on the direction of the passive joint rotation. However, the subjects' perceptions of these passive elbow rotations were exaggerated: 2-3 times the size of the actual movement. In the absence of vibration, the subjects accurately reproduced these passive joint rotations. We discuss whether the exaggerated perception of slow, small movement during vibration is better explained by contributions of non muscle spindle Ia afferents or by changes in the mechanical transmission of vibration to the receptor.

Effect of electron-vibration interactions on the thermoelectric efficiency of molecular junctions.

Science.gov (United States)

Hsu, Bailey C; Chiang, Chi-Wei; Chen, Yu-Chang

2012-07-11

From first-principles approaches, we investigate the thermoelectric efficiency of a molecular junction where a benzene molecule is connected directly to the platinum electrodes. We calculate the thermoelectric figure of merit ZT in the presence of electron-vibration interactions with and without local heating under two scenarios: linear response and finite bias regimes. In the linear response regime, ZT saturates around the electrode temperature T(e) = 25 K in the elastic case, while in the inelastic case we observe a non-saturated and a much larger ZT beyond T(e) = 25 K attributed to the tail of the Fermi-Dirac distribution. In the finite bias regime, the inelastic effects reveal the signatures of the molecular vibrations in the low-temperature regime. The normal modes exhibiting structures in the inelastic profile are characterized by large components of atomic vibrations along the current density direction on top of each individual atom. In all cases, the inclusion of local heating leads to a higher wire temperature T(w) and thus magnifies further the influence of the electron-vibration interactions due to the increased number of local phonons.

The Impact of Complex Forcing on the Viscous Torsional Vibration Damper’s Work in the Crankshaft of the Rotating Combustion Engine

OpenAIRE

Jagiełowicz-Ryznar C.

2016-01-01

The numerical calculations results of torsional vibration of the multi-cylinder crankshaft in the serial combustion engine (MC), including a viscous damper (VD), at complex forcing, were shown. In fact, in the MC case the crankshaft rotation forcings spectrum is the sum of harmonic forcing whose amplitude can be compared with the amplitude of the 1st harmonic. A significant impact, in the engine operational velocity, on the vibration damping process of MC, may be the amplitude of the 2nd harm...

Intermediate energy cross sections for electron-impact vibrational-excitation of pyrimidine

Energy Technology Data Exchange (ETDEWEB)

Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Ellis-Gibbings, L.; García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); Nixon, K. L. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); School of Biology, Chemistry and Forensic Science, University of Wolverhampton, Wolverhampton WV1 1LY (United Kingdom); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); 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)

2015-09-07

We report differential cross sections (DCSs) and integral cross sections (ICSs) for electron-impact vibrational-excitation of pyrimidine, at incident electron energies in the range 15–50 eV. The scattered electron angular range for the DCS measurements was 15°–90°. The measurements at the DCS-level are the first to be reported for vibrational-excitation in pyrimidine via electron impact, while for the ICS we extend the results from the only previous condensed-phase study [P. L. Levesque, M. Michaud, and L. Sanche, J. Chem. Phys. 122, 094701 (2005)], for electron energies ⩽12 eV, to higher energies. Interestingly, the trend in the magnitude of the lower energy condensed-phase ICSs is much smaller when compared to the corresponding gas phase results. As there is no evidence for the existence of any shape-resonances, in the available pyrimidine total cross sections [Baek et al., Phys. Rev. A 88, 032702 (2013); Fuss et al., ibid. 88, 042702 (2013)], between 10 and 20 eV, this mismatch in absolute magnitude between the condensed-phase and gas-phase ICSs might be indicative for collective-behaviour effects in the condensed-phase results.

Welding by using doubly-deflected rotating electron beam

International Nuclear Information System (INIS)

Dabek, J.W.; Friedel, K.

1997-01-01

The paper presents the welding process by using double-deflected rotating electron beam, as a method to obtain good quality welds. It is shown possible variants of work of modified beam, principles of creation, process control and results of welding. Comparison of quality welds obtained by using traditional and modified electron beams is made too. (author). 11 refs, 8 figs

Influence of vibrations and rotations of diatomic molecules on their physical properties: II. Refractive index, reactivity and diffusion coefficients

International Nuclear Information System (INIS)

Sharipov, Alexander S; Loukhovitski, Boris I; Starik, Alexander M

2016-01-01

The influence of the excitation of vibrational and rotational states of diatomic molecules (H 2 , N 2 , O 2 , NO, OH, CO, CH, HF and HCl) on refractive index, reactivity and transport coefficients was analyzed by using ab initio calculated data on the effective state-specific dipole moment and static polarizability obtained in the preceding paper of the present series. It has been revealed that, for non-polar molecules, the excitation both of vibrational and rotational degrees of freedom increases the averaged polarizability and, as a consequence, the refractive index. Meanwhile, for polar molecules, the effect of molecule excitation is more complex: it can either increase or decrease the refractive index. It was also shown that the excitation of molecules slightly influences the rate constants of barrierless chemical reactions between neutral particles; whereas, for ion–molecule reactions, this effect can be more pronounced. Analysis of the variation of diffusion coefficients, taking into account the effect of molecule excitation both on the collision diameter and on the well depth of intermolecular potential, exhibited that, for non-polar molecules, the effect associated with the change of collision diameter prevails. However, for polar molecules, the effect of the excitation of vibrational states on the well depth of intermolecular potential can compensate or even exceed the decrease of diffusion coefficient due to the averaged collision diameter rise. (paper)

Rotatable spin-polarized electron source for inverse-photoemission experiments

International Nuclear Information System (INIS)

Stolwijk, S. D.; Wortelen, H.; Schmidt, A. B.; Donath, M.

2014-01-01

We present a ROtatable Spin-polarized Electron source (ROSE) for the use in spin- and angle-resolved inverse-photoemission (SR-IPE) experiments. A key feature of the ROSE is a variable direction of the transversal electron beam polarization. As a result, the inverse-photoemission experiment becomes sensitive to two orthogonal in-plane polarization directions, and, for nonnormal electron incidence, to the out-of-plane polarization component. We characterize the ROSE and test its performance on the basis of SR-IPE experiments. Measurements on magnetized Ni films on W(110) serve as a reference to demonstrate the variable spin sensitivity. Moreover, investigations of the unoccupied spin-dependent surface electronic structure of Tl/Si(111) highlight the capability to analyze complex phenomena like spin rotations in momentum space. Essentially, the ROSE opens the way to further studies on complex spin-dependent effects in the field of surface magnetism and spin-orbit interaction at surfaces

Vibrations of beams with a variable cross-section fixed on rotational rigid disks

Directory of Open Access Journals (Sweden)

Slawomir Zolkiewski

Full Text Available The work is focused on the problem of vibrating beams with a variable cross-section fixed on a rotational rigid disk. The beam is loaded by a transversal time varying force orthogonal to an axis of the beam and simultaneously parallel to the disk's plane. There are many ways of usage of the technical moveable systems composed of elements with the variable cross-sections. The main applications are used in numerous types of turbines and pumps. The paper is a kind of introduction to the dynamic analysis of above mentioned beam systems. The equations of motion of rotational beams fixed on the rigid disks were derived. After introducing the Coriolis forces and the centrifugal forces, the transportation effect in the mathematical model was considered. This particular project is the first stage research, where there were proposed certain solutions of problems connected with the linear variable cross-sections systems. The further investigation considering the nonlinear systems has been proceeding. The results, analysis and comparison will be presented in the future works.

Piezoelectric shunt damping of a circular saw blade with autonomous power supply for noise and vibration reduction

Science.gov (United States)

Pohl, Martin; Rose, Michael

2016-01-01

Circular saws are widespread tools for machining metal, wood or even ceramics. Due to the thin blade and excitation by the workpiece contact of the cutting edges, circular saws are prone to vibration and intense noise emission. Damping the blade will lower the hearing protection requirements of the users and possibly increase precision. Therefore a new damping concept for circular saw blades is presented in this paper. It is based on negative capacitance shunted piezoelectric transducers which are applied to the saw blade core. The required energy for the electronics is harvested from the rotation by a generator, so that no change of the machine tool is required. All components are integrated into an autonomous saw tool. Finally, the system is experimentally investigated without rotation, in idling and in cutting condition in a circular saw test stand in the Institute for Machine Tools and Production Engineering (IWF) at TU Braunschweig. The experimental investigation shows a good reduction of the vibration amplitude over a wide frequency range in the non-rotating condition. When rotating, the damping effect is lower and limited to some narrow frequency bands. The proposed reason for the reduced damping effect in rotating condition consists in the saturation of the electronic circuits due to the limited supply voltage capabilities.

NRC sponsored rotating equipment vibration research: a program description and progress report

International Nuclear Information System (INIS)

Nitzel, M.E.

1986-01-01

The Idaho National Engineering Laboratory (INEL) is currently involved in a research project sponsored by the United States Nuclear Regulatory Commission (NRC) regarding operational vibration in rotating equipment. The object of this program is to assess the nature of vibrational failures and the effect that improved qualification standards may have in reducing the incidence of failure. In order to limit the scope of the initial effort, safety injection (SI) pumps were chosen as the component group for concentrated study. The task has been oriented to addressing the issues of whether certain SI pumps experience more failures than others, examining the dynamic environments in operation, examining the adequacy of current qualification standards, and examining what performance parameters could be used more efficiently to predict degradation or failure. Results of a literature search performed to survey SI pump failures indicate that failures are due to a diversity of causes, many of which may not be influenced by qualification criteria. Cooperative efforts have been undertaken with a limited number of nuclear utilities to describe the variety of possible operating environments and to analyze available data. The results of this analysis as they apply to the research issues are presented and possibilities for the future direction of the program are discussed

Simulation of electron beam from two strip electron guns and control of power density by rotation of gun

International Nuclear Information System (INIS)

Sahu, G K; Baruah, S; Thakur, K B

2012-01-01

Electron beam is preferably used for large scale evaporation of refractory materials. Material evaporation from a long and narrow source providing a well collimated wedge shaped atomic beam has applications in isotopic purification of metals relevant to nuclear industry. The electron beam from an electron gun with strip type filament provides a linear heating source. However, the high power density of the electron beam can lead to turbulence of the melt pool and undesirable splashing of molten metal. For obtaining quiet surface evaporation, the linear electron beam is generally scanned along its length. To further reduce the power density to maintain quiet evaporation the width of the vapour source can be controlled by rotating the electron gun on its plane, thereby scanning an inclined beam over the molten pool. The rotation of gun has further advantages. When multiple strip type electron guns are used for scaling up evaporation length, a dark zone appears between two beams due to physical separation of adjacent guns. This dark zone can be reduced by rotating the gun and thereby bringing two adjacent beams closer. The paper presented here provides the simulation results of the electron beam trajectory and incident power density originating from two strip electron guns by using in-house developed code. The effect of electron gun rotation on the electron beam trajectory and power density is studied. The simulation result is experimentally verified with the image of molten pool and heat affected zone taken after experiment. This technique can be gainfully utilized in controlling the time averaged power density of the electron beam and obtaining quiet evaporation from the metal molten pool.

First-Principles Vibrational Electron Energy Loss Spectroscopy of β -Guanine

Science.gov (United States)

Radtke, G.; Taverna, D.; Lazzeri, M.; Balan, E.

2017-07-01

A general approach to model vibrational electron energy loss spectra obtained using an electron beam positioned away from the specimen is presented. The energy-loss probability of the fast electron is evaluated using first-principles quantum mechanical calculations (density functional theory) of the dielectric response of the specimen. The validity of the method is assessed using recently measured anhydrous β -guanine, an important molecular solid used by animals to produce structural colors. The good agreement between theory and experiments lays the basis for a quantitative interpretation of this spectroscopy in complex systems.

Gerotor and bearing system for whirling mass orbital vibrator

Energy Technology Data Exchange (ETDEWEB)

Brett, James Ford; Westermark, Robert Victor; Turner, Jr., Joey Earl; Lovin, Samuel Scott; Cole, Jack Howard; Myers, Will

2007-02-27

A gerotor and bearing apparatus for a whirling mass orbital vibrator which generates vibration in a borehole. The apparatus includes a gerotor with an inner gear rotated by a shaft having one less lobe than an outer gear. A whirling mass is attached to the shaft. At least one bearing is attached to the shaft so that the bearing engages at least one sleeve. A mechanism is provided to rotate the inner gear, the mass and the bearing in a selected rotational direction in order to cause the mass, the inner gear, and the bearing to backwards whirl in an opposite rotational direction. The backwards whirling mass creates seismic vibrations.

MARVEL analysis of the rotational-vibrational states of the molecular ions H2D+ and D2H+.

Science.gov (United States)

Furtenbacher, Tibor; Szidarovszky, Tamás; Fábri, Csaba; Császár, Attila G

2013-07-07

Critically evaluated rotational-vibrational line positions and energy levels, with associated critically reviewed labels and uncertainties, are reported for two deuterated isotopologues of the H3(+) molecular ion: H2D(+) and D2H(+). The procedure MARVEL, standing for Measured Active Rotational-Vibrational Energy Levels, is used to determine the validated levels and lines and their self-consistent uncertainties based on the experimentally available information. The spectral ranges covered for the isotopologues H2D(+) and D2H(+) are 5.2-7105.5 and 23.0-6581.1 cm(-1), respectively. The MARVEL energy levels of the ortho and para forms of the ions are checked against ones determined from accurate variational nuclear motion computations employing the best available adiabatic ab initio potential energy surfaces of these isotopologues. The number of critically evaluated, validated and recommended experimental (levels, lines) are (109, 185) and (104, 136) for H2D(+) and D2H(+), respectively. The lists of assigned MARVEL lines and levels and variational levels obtained for H2D(+) and D2H(+) as part of this study are deposited in the ESI to this paper.

Axis vibration detection device for reactor recycling pump

International Nuclear Information System (INIS)

Ide, Katsuki.

1995-01-01

The present invention provides a device for detecting, in a contactless manner, vibrations of a recycling pump shaft disposed in a reactor pressure vessel of a BWR type reactor. Namely, the vibration detector comprises an eddy current type displacement gauge having a sensing portion at one end of a linear tube type metal holder. It also comprises a rotational member made of an electroconductive material rotating integrally with a rotational pump shaft. The vibration detector is inserted into an attaching hole passing through a pump casing at a position where the sensing portion faces the outer circumference of the rotational member. The attaching hole is closed by a holder of the oscillation detector and a metal cap integrated to one end of the holder. A high pressure hermetic seal connector is disposed at a position outer side of the attaching hole of the vibration detector for electrically connecting the inside and the outside thereof. The device of the present invention can directly detect the vibration of the pump shaft. As a result, an abnormality, if should occur, in the recycling pump can be found in an early stage. Since the vibration detector is covered with a metal and shielded by the high pressure hermetic seal connector, it can sufficiently ensure pressure resistance. (I.S.)

Nuclear structure and nuclear reaction aspects of Faessler and Greiner's rotation-vibration coupling theory

International Nuclear Information System (INIS)

Aspelund, O.

In the nuclear structure part, the foundations of Faessler and Greiner's rotation-vibration coupling theory are reviewed, whereafter an alternative derivation of Faessler and Greiner's Hamiltonian is presented. A non-spherical quadrupole phonon number N is defined and used in the matrix elements reported for odd-even/even-odd nuclei. These matrix elements are shown to evince oblate-prolate effects that can be exploited for assessing the signs of quadrupole deformations. In the nuclear reaction part, the wave functions emerging from the structure part are applied in a complete and consistent description of elastic and inelastic particle scattering, one-nucleon transfer, and particle/γ-ray angular correlations. The intentions are to demonstrate that anomolous angular distributions and 1=2 j-effects observed in one-nucleon transfer are interrelated phenomena, that can be satisfactorily explained in terms of the elementary vibrational excitation modes inherent in Faessler and Greiner's theory. The latter is regarded as a non-spherical approach to the theory of the quadrupole component of the nuclear potential energy surface. (Auth.)

Fragmentation of molecular ions in slow electron collisions

International Nuclear Information System (INIS)

Novotny, Steffen

2008-01-01

The fragmentation of positively charged hydrogen molecular ions by the capture of slow electrons, the so called dissociative recombination (DR), has been investigated in storage ring experiments at the TSR, Heidelberg, where an unique twin-electron-beam arrangement was combined with high resolution fragment imaging detection. Provided with well directed cold electrons the fragmentation kinematics were measured down to meV collision energies where pronounced rovibrational Feshbach resonances appear in the DR cross section. For thermally excited HD + the fragmentation angle and the kinetic energy release were studied at variable precisely controlled electron collision energies on a dense energy grid from 10 to 80 meV. The anisotropy described for the first time by Legendre polynomials higher 2 nd order and the extracted rotational state contributions were found to vary on a likewise narrow energy scale as the rotationally averaged DR rate coefficient. Ro-vibrationally resolved DR experiments were performed on H 2 + produced in distinct internal excitations by a novel ion source. Both the low-energy DR rate as well as the fragmentation dynamics at selected resonances were measured individually in the lowest two vibrational and first three excited rotational states. State-specific DR rates and angular dependences are reported. (orig.)

Fragmentation of molecular ions in slow electron collisions

Energy Technology Data Exchange (ETDEWEB)

Novotny, Steffen

2008-06-25

The fragmentation of positively charged hydrogen molecular ions by the capture of slow electrons, the so called dissociative recombination (DR), has been investigated in storage ring experiments at the TSR, Heidelberg, where an unique twin-electron-beam arrangement was combined with high resolution fragment imaging detection. Provided with well directed cold electrons the fragmentation kinematics were measured down to meV collision energies where pronounced rovibrational Feshbach resonances appear in the DR cross section. For thermally excited HD{sup +} the fragmentation angle and the kinetic energy release were studied at variable precisely controlled electron collision energies on a dense energy grid from 10 to 80 meV. The anisotropy described for the first time by Legendre polynomials higher 2{sup nd} order and the extracted rotational state contributions were found to vary on a likewise narrow energy scale as the rotationally averaged DR rate coefficient. Ro-vibrationally resolved DR experiments were performed on H{sub 2}{sup +} produced in distinct internal excitations by a novel ion source. Both the low-energy DR rate as well as the fragmentation dynamics at selected resonances were measured individually in the lowest two vibrational and first three excited rotational states. State-specific DR rates and angular dependences are reported. (orig.)

Fate of electrons with energies less than 100 eV

International Nuclear Information System (INIS)

Stockdale, J.A.D.

1978-01-01

An introduction is given to some of the major processes which take place when low energy electrons collide with molecules. Temporary negative ion states, dissociative electron attachment, and vibrational and rotational excitation are emphasized. Resonances and some comments on H 2 O are also covered. 45 references

A 3D finite element model for the vibration analysis of asymmetric rotating machines

Energy Technology Data Exchange (ETDEWEB)

Prabel, B.; Combescure, D. [CEA Saclay, DEN, DM2S, SEMT, DYN, F-91191 Gif Sur Yvette (France); Lazarus, A. [Ecole Polytech, Mecan Solides Lab, F-91128 Palaiseau (France)

2010-07-01

This paper suggests a 3D finite element method based on the modal theory in order to analyse linear periodically time-varying systems. Presentation of the method is given through the particular case of asymmetric rotating machines. First, Hill governing equations of asymmetric rotating oscillators with two degrees of freedom are investigated. These differential equations with periodic coefficients are solved with classic Floquet theory leading to parametric quasi-modes. These mathematical entities are found to have the same fundamental properties as classic Eigenmodes, but contain several harmonics possibly responsible for parametric instabilities. Extension to the vibration analysis (stability, frequency spectrum) of asymmetric rotating machines with multiple degrees of freedom is achieved with a fully 3D finite element model including stator and rotor coupling. Due to Hill expansion, the usual degrees of freedom are duplicated and associated with the relevant harmonic of the Floquet solutions in the frequency domain. Parametric quasi-modes as well as steady-state response of the whole system are ingeniously computed with a component-mode synthesis method. Finally, experimental investigations are performed on a test rig composed of an asymmetric rotor running on non-isotropic supports. Numerical and experimental results are compared to highlight the potential of the numerical method. (authors)

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.

Developed vibration waveform monitoring unit for CBM

International Nuclear Information System (INIS)

Hamada, T.; Hotsuta, K.; Hirose, I.; Morita, E.

2007-01-01

In nuclear power plants, many rotating machines such as pumps and fans are in use. Shikoku Research Institute Inc. has recently developed easy-to-use tools to facilitate the maintenance of such equipment. They include a battery-operated vibration waveform monitoring unit which allows unmanned vibration monitoring on a regular basis and data collection even from intermittently operating equipment, a waveform data collector which can be used for easy collection, storage, control, and analysis of raw vibration waveform data during normal operation, and vibration analysis and evaluation tools. A combination of these tools has a high potential for optimization of rotating equipment maintenance. (author)

Vibrational, atomical and electronic relaxation in a nitrogen plasma jet

International Nuclear Information System (INIS)

Asselin, P.; Dudeck, M.

1994-07-01

This is a simplified approach of the characterization of a plasma stationary flow in chemical and electronic disequilibrium conditions by Navier-Stokes equations. The INCA code (AMTEC, USA) is a three-dimensional monolithic calculation code. A computer program for a mono-dimensional evolution of the formed species concentrations in a nitrogen plasma, including conservative equations of vibrational and electronic energies in order to deduce the corresponding temperature profiles. (A.B.). 14 refs., 17 figs., 2 tabs

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.

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.

Correlation between mechanical vibrations and resolving power of an electron microscope

International Nuclear Information System (INIS)

Lopez, J.J.

1975-01-01

The mechanical vibrations of the Grenoble 1MV electron microscope are analyzed. The solutions used to obtain a stability in the order of 3.10 -6 are exposed. A resolution of 1,8A should be achieved [fr

Nonlinear quantum dynamics in diatomic molecules: Vibration, rotation and spin

International Nuclear Information System (INIS)

Yang, Ciann-Dong; Weng, Hung-Jen

2012-01-01

Highlights: ► This paper reveals the internal nonlinear dynamics embedded in a molecular quantum state. ► Analyze quantum molecular dynamics in a deterministic way, while preserving the consistency with probability interpretation. ► Molecular vibration–rotation interaction and spin–orbital coupling are considered simultaneously. ► Spin is just the remnant angular motion when orbital angular momentum is zero. ► Spin is the “zero dynamics” of nonlinear quantum dynamics. - Abstract: For a given molecular wavefunction Ψ, the probability density function Ψ ∗ Ψ is not the only information that can be extracted from Ψ. We point out in this paper that nonlinear quantum dynamics of a diatomic molecule, completely consistent with the probability prediction of quantum mechanics, does exist and can be derived from the quantum Hamilton equations of motion determined by Ψ. It can be said that the probability density function Ψ ∗ Ψ is an external representation of the quantum state Ψ, while the related Hamilton dynamics is an internal representation of Ψ, which reveals the internal mechanism underlying the externally observed random events. The proposed internal representation of Ψ establishes a bridge between nonlinear dynamics and quantum mechanics, which allows the methods and tools already developed by the former to be applied to the latter. Based on the quantum Hamilton equations of motion derived from Ψ, vibration, rotation and spin motions of a diatomic molecule and the interactions between them can be analyzed simultaneously. The resulting dynamic analysis of molecular motion is compared with the conventional probability analysis and the consistency between them is demonstrated.

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

Consistent quantum approach to new laser-electron-nuclear effects in diatomic molecules

International Nuclear Information System (INIS)

Glushkov, A V; Malinovskaya, S V; Loboda, A V; Shpinareva, I M; Prepelitsa, G P

2006-01-01

We present a consistent, quantum approach to the calculation of electron-nuclear γ. spectra (set of vibrational and rotational satellites) for nuclei in diatomic molecules. The approach generelizes the well known Letokhov-Minogin model and is based on the Dunham model potential approximation for potential curves of diatomic molecules. The method is applied to the calculation of probabilities of the vibration-rotation-nuclear transitions in a case of emission and absorption spectrum for the nucleus 127 I (E γ (0) = 203 keV) linked with the molecule H 127 I

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

Optical transition probabilities in electron-vibration-rotation spectra of diatomic molecules

International Nuclear Information System (INIS)

Kuznetsova, L.A.; Kuz'menko, N.E.; Kuzyakov, Yu.Ya.; Plastinin, Yu.A.

1974-01-01

The present review systematizes the data on the absolute probabilities of electron transitions in diatomic molecules, which have been published since the beginning of 1961 and up to the end of 1973, and those on the relative transition probabilities, which have been published since the beginning of 1966 till the end of 1973. The review discussed the theoretical relationships underlying the experimental techniques of determining the absolute transition probabilities. Modifications of the techniques under discussion are not specially examined; the details of interest can be found, however, in the references cited. The factual material-, such as the values of the absolute probabilities of electron transitions, the dependences of the electron transition moments on the internuclear distance and the values of the Franck-Condon factors,- is presented in tables 1, 2 and 4, respectively, embracing all the relevant works known to the present authors. Along with a complete systematization of the transition probability data, the authors have attempted a critical analysis of the available data in order to select the most reliable results. The recommended values of the squared matrix elements of the electron transition dipole moments are given in table 3. The last chaper of the work compares the results of calculations of the Franck-Condon factors obtained with the different milecular potentials [ru

A relation between the rotational g-factor and the electric dipole moment of a diatomic molecule

DEFF Research Database (Denmark)

Sauer, Stephan P. A.

1998-01-01

The relation between the rotational g-factor and the electric dipole moment of a diatomic molecule is investigated. An explicit expression for the irreducible nonadiabatic contribution in terms of excited electronic states is derived. The importance of this expression for the analysis of vibration...

Determination of the absolute configurations of natural products via density functional theory calculations of optical rotation, electronic circular dichroism, and vibrational circular dichroism: the cytotoxic sesquiterpene natural products quadrone, suberosenone, suberosanone, and suberosenol A acetate.

Science.gov (United States)

Stephens, P J; McCann, D M; Devlin, F J; Smith, A B

2006-07-01

The determination of the absolute configurations (ACs) of chiral molecules using the chiroptical techniques of optical rotation (OR), electronic circular dichroism (ECD), and vibrational circular dichroism (VCD) has been revolutionized by the development of density functional theory (DFT) methods for the prediction of these properties. Here, we demonstrate the significance of these advances for the stereochemical characterization of natural products. Time-dependent DFT (TDDFT) calculations of the specific rotations, [alpha](D), of four cytotoxic natural products, quadrone (1), suberosenone (2), suberosanone (3), and suberosenol A acetate (4), are used to assign their ACs. TDDFT calculations of the ECD of 1 are used to assign its AC. The VCD spectrum of 1 is reported and also used, together with DFT calculations, to assign its AC. The ACs of 1 derived from its [alpha](D), ECD, and VCD are identical and in agreement with the AC previously determined via total synthesis. The previously undetermined ACs of 2-4, derived from their [alpha](D) values, have absolute configurations of their tricyclic cores identical to that of 1. Further studies of the ACs of these molecules using ECD and, especially, VCD are recommended to establish more definitively this finding. Our studies of the OR, ECD, and VCD of quadrone are the first to utilize DFT calculations of all three properties for the determination of the AC of a chiral natural product molecule.

Structural, vibrational, electronic investigations and quantum chemical studies of 2-amino-4-methoxybenzothiazole

Science.gov (United States)

Arjunan, V.; Raj, Arushma; Santhanam, R.; Marchewka, M. K.; Mohan, S.

2013-02-01

Extensive vibrational investigations of 2-amino-4-methoxybenzothiazole have been carried out with FTIR and FT-Raman spectral techniques. The electronic structure of the molecule has been analysed by UV-Visible and NMR spectroscopies. The DFT studies were carried out with B3LYP and HF methods utilising 6-31G(d,p), 6-311++G(d,p) and cc-pVDZ basis sets to determine the structural, thermodynamical, vibrational, electronic characteristics of the compound and also to understand the electronic and steric influence of the methoxy amino groups on the skeletal frequencies. The mixing of the fundamental modes was determined with the help of total energy distribution (TED). The energies of the frontier molecular orbitals have also been determined. The kinetic and thermodynamic stability and chemical hardness of the molecule have been determined. Complete NBO analysis was also carried out to find out the intramolecular electronic interactions and their stabilisation energy. 1H and 13C NMR chemical shifts and the electronic transitions of the molecule are also discussed.

Structural, vibrational, electronic investigations and quantum chemical studies of 2-amino-4-methoxybenzothiazole.

Science.gov (United States)

Arjunan, V; Raj, Arushma; Santhanam, R; Marchewka, M K; Mohan, S

2013-02-01

Extensive vibrational investigations of 2-amino-4-methoxybenzothiazole have been carried out with FTIR and FT-Raman spectral techniques. The electronic structure of the molecule has been analysed by UV-Visible and NMR spectroscopies. The DFT studies were carried out with B3LYP and HF methods utilising 6-31G(d,p), 6-311++G(d,p) and cc-pVDZ basis sets to determine the structural, thermodynamical, vibrational, electronic characteristics of the compound and also to understand the electronic and steric influence of the methoxy amino groups on the skeletal frequencies. The mixing of the fundamental modes was determined with the help of total energy distribution (TED). The energies of the frontier molecular orbitals have also been determined. The kinetic and thermodynamic stability and chemical hardness of the molecule have been determined. Complete NBO analysis was also carried out to find out the intramolecular electronic interactions and their stabilisation energy. (1)H and (13)C NMR chemical shifts and the electronic transitions of the molecule are also discussed. Copyright © 2012 Elsevier B.V. All rights reserved.

Ergonomic Evaluation of Vibrations of a Rototiller with New Blade

Directory of Open Access Journals (Sweden)

H Gholami

2017-10-01

Full Text Available Introduction One of the most important problems arising with operation of the conventional rototillers is severe vibration of the machine handle which is transmitted to the user’s hands, arms and shoulders. Long period exposure of the hand-transmitted vibration may cause various diseases such as white finger syndrome. Therefore in this study, vibrations of a new type of rototiller with ridged blades were investigated at the position of handle/hand interface in different working conditions. Finally, the maximum allowable exposure time to the rototiller users in continuous tillage operation was obtained according to ISO 5349-1. Materials and Methods Experiments were carried out in one of the farms with silty clay soil texture, located in Sari city, Mazandaran province, Iran. Vibration measurements were performed according to ISO 5349-1 and ISO 5349-2 standards in two different modes, including in situ mode and tillage mode. Vibrational parameters were obtained in three blade rotational speeds, i.e., low speed (140-170 rpm, medium speed (170-200, and high speed (200-230. Blade rotational speed varied by changing engine speed using the throttle control lever. In each experiment, different vibrational values were individually recorded in three directions (x, y, and z. Experimental design and data analysis were performed in a Randomized Complete Block Design with three replications using the SPSS16 software. Results and Discussion Based on the obtained results in this study, the RMS of acceleration increased by increasing in rotational speed for all of the conducted experiments. The reason is that number of cutting per unit of time and consequently the frequency of changing in the dynamic forces exerting on the blades dramatically increases with increasing the rotational speed of the blades. Noteworthy is that in most cases the variation of acceleration in the tillage mode showed similar trend with vibrational values in the idling mode. This

Time-dependent aspects of electron degradation: 4, Subexcitation electrons in nitrogen and carbon dioxide

International Nuclear Information System (INIS)

Kimura, Mineo; Inokuti, Mitio; Kowari, Ken-ichi; Dillon, M.A.; Pagnamenta, A.

1988-01-01

We discuss here the temporal behavior of subexcitation electrons and the yields of products due to these subexcitation electrons. Our examples concern cases in which resonance scattering of electrons occurs, such as vibrational and rotational excitation in N 2 and negative-ion formation in CO 2 . One focus of the present work is a test of the continuous-slowing-down-approximation (CSDA) which we compare to the full solution of the time-dependent Spencer-Fano theory, which has been developed recently. 11 refs., 6 figs., 1 tab

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.

Fatigue failure of pb-free electronic packages under random vibration loads

Science.gov (United States)

Saravanan, S.; Prabhu, S.; Muthukumar, R.; Gowtham Raj, S.; Arun Veerabagu, S.

2018-03-01

The electronic equipment are used in several fields like, automotive, aerospace, consumer goods where they are subjected to vibration loads leading to failure of solder joints used in these equipment. This paper presents a methodology to predict the fatigue life of Pb-free surface mounted BGA packages subjected to random vibrations. The dynamic characteristics of the PCB, such as the natural frequencies, mode shapes and damping ratios were determined. Spectrum analysis was used to determine the stress response of the critical solder joint and the cumulative fatigue damage accumulated by the solder joint for a specific duration was determined.

A method for the direct measurement of electronic site populations in a molecular aggregate using two-dimensional electronic-vibrational spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Lewis, Nicholas H. C.; Dong, Hui; 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, California 94720 (United States); Kavli Energy Nanosciences Institute at Berkeley, Berkeley, California 94720 (United States)

2015-09-28

Two dimensional electronic spectroscopy has proved to be a valuable experimental technique to reveal electronic excitation dynamics in photosynthetic pigment-protein complexes, nanoscale semiconductors, organic photovoltaic materials, and many other types of systems. It does not, however, provide direct information concerning the spatial structure and dynamics of excitons. 2D infrared spectroscopy has become a widely used tool for studying structural dynamics but is incapable of directly providing information concerning electronic excited states. 2D electronic-vibrational (2DEV) spectroscopy provides a link between these domains, directly connecting the electronic excitation with the vibrational structure of the system under study. In this work, we derive response functions for the 2DEV spectrum of a molecular dimer and propose a method by which 2DEV spectra could be used to directly measure the electronic site populations as a function of time following the initial electronic excitation. We present results from the response function simulations which show that our proposed approach is substantially valid. This method provides, to our knowledge, the first direct experimental method for measuring the electronic excited state dynamics in the spatial domain, on the molecular scale.

Electron-Mediated Phonon-Phonon Coupling Drives the Vibrational Relaxation of CO on Cu(100)

Science.gov (United States)

Novko, D.; Alducin, M.; Juaristi, J. I.

2018-04-01

We bring forth a consistent theory for the electron-mediated vibrational intermode coupling that clarifies the microscopic mechanism behind the vibrational relaxation of adsorbates on metal surfaces. Our analysis points out the inability of state-of-the-art nonadiabatic theories to quantitatively reproduce the experimental linewidth of the CO internal stretch mode on Cu(100) and it emphasizes the crucial role of the electron-mediated phonon-phonon coupling in this regard. The results demonstrate a strong electron-mediated coupling between the internal stretch and low-energy CO modes, but also a significant role of surface motion. Our nonadiabatic theory is also able to explain the temperature dependence of the internal stretch phonon linewidth, thus far considered a sign of the direct anharmonic coupling.

Rotational dependence of Fermi-type resonance interactions in molecules

Science.gov (United States)

Mikhailov, Vladimir M.; Smirnov, M. A.

1997-03-01

In Pasadena, (Milliken Lab., USA, 1930) F. Rossetti has observed in Raman spectrum of carbon-dioxide molecule the full symmetric vibration of carbon dioxide appeared as the group of four near lying lines instead of the waited single line. The true interpretation of this enigmatic effect (in that time) was given by E. Fermi -- accidental degeneration of the first excited state of the full symmetric vibration in carbon dioxide. It was the first example of the event observed later in various organic molecules. This event was named as resonance Fermi. The rotational dependence of Fermi type resonance interactions in quasirigid molecules in dominant approximation can be selected in an expansion of the effective vibration-rotation Hamiltonian Hvib- roteff by the operator H(g)(Fermi) equals H30 plus (Sigma) nH3n(g). Let us consider in detail the problem of the construction of the effective vibration-rotational Hamiltonian HVR yields Heff from the point of view of various ordering schemes (grouping) of the vibrational-rotational interactions with sequential analysis of the choice of the convenient grouping adequate to the spectroscopic problem.

Nonadiabatic effects on surfaces: Kohn anomaly, electronic damping of adsorbate vibrations, and local heating of single molecules

International Nuclear Information System (INIS)

Kroeger, J

2008-01-01

Three aspects of electron-phonon coupling at metal surfaces are reviewed. One aspect is the Kohn effect, which describes an anomalous dispersion relation of surface phonons due to quasi-one-dimensional nesting of Fermi surface contours. The combination of electron energy loss spectroscopy and angle-resolved photoelectron spectroscopy allows us to unambiguously characterize Kohn anomaly systems. A second aspect is the nonadiabatic damping of adsorbate vibrations. Characteristic spectroscopic line shapes of vibrational modes allow us to estimate the amount of energy transfer between the vibrational mode and electron-hole pairs. Case studies of a Kohn anomaly and nonadiabatic damping are provided by the hydrogen- and deuterium-covered Mo(110) surface. As a third aspect of interaction between electrons and phonons, local heating of a C 60 molecule adsorbed on Cu(100) and in contact with the tip of a scanning tunnelling microscope is covered

Rotational Spectrum and Internal Rotation Barrier of 1-Chloro-1,1-difluoroethane

Science.gov (United States)

Alonso, José L.; López, Juan C.; Blanco, Susana; Guarnieri, Antonio

1997-03-01

The rotational spectra of 1-chloro-1,1-difluoroethane (HCFC-142b) has been investigated in the frequency region 8-115 GHz with Stark, waveguide Fourier transform (FTMW), and millimeter-wave spectrometers. Assignments in large frequency regions with the corresponding frequency measurements have been made for the ground andv18= 1 (CH3torsion) vibrational states of the35Cl isotopomer and for the ground state of the37Cl species. Accurate rotational, quartic centrifugal distortion, and quadrupole coupling constants have been determined from global fits considering all these states. SmallA-Einternal rotation splittings have been observed for thev18= 1 vibrational state using FTMW spectroscopy. The barrier height for the internal rotation of the methyl group has been determined to be 3751 (4) cal mol-1, in disagreement with the previous microwave value of 4400 (100) cal mol-1reported by G. Graner and C. Thomas [J. Chem. Phys.49,4160-4167 (1968)].

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.

A methodology for low-speed broadband rotational energy harvesting using piezoelectric transduction and frequency up-conversion

International Nuclear Information System (INIS)

Fu, Hailing; Yeatman, Eric M.

2017-01-01

Energy harvesting from vibration for low-power electronics has been investigated intensively in recent years, but rotational energy harvesting is less investigated and still has some challenges. In this paper, a methodology for low-speed rotational energy harvesting using piezoelectric transduction and frequency up-conversion is analysed. The system consists of a piezoelectric cantilever beam with a tip magnet and a rotating magnet on a revolving host. The angular kinetic energy of the host is transferred to the vibration energy of the piezoelectric beam via magnetic coupling between the magnets. Frequency up-conversion is achieved by magnetic plucking, converting low frequency rotation into high frequency vibration of the piezoelectric beam. A distributed-parameter theoretical model is presented to analyse the electromechanical behaviour of the rotational energy harvester. Different configurations and design parameters were investigated to improve the output power of the device. Experimental studies were conducted to validate the theoretical estimation. The results illustrate that the proposed method is a feasible solution to collecting low-speed rotational energy from ambient hosts, such as vehicle tires, micro-turbines and wristwatches. - Highlights: • A topology to harvest low-frequency broad-band rotational energy is studied. • Different configurations were considered; arrangement (a)-repulsive was the best. • Theoretical analysis shows the harvester has a wide bandwidth at low frequency. • The ripples of output power are related to the beam's natural frequency. • Experimental results show a good performance (over 20 μW) from 15 Hz to 35 Hz.

Dynamic modelling and control of a rotating Euler-Bernoulli beam

Science.gov (United States)

Yang, J. B.; Jiang, L. J.; Chen, D. CH.

2004-07-01

Flexible motion of a uniform Euler-Bernoulli beam attached to a rotating rigid hub is investigated. Fully coupled non-linear integro-differential equations, describing axial, transverse and rotational motions of the beam, are derived by using the extended Hamilton's principle. The centrifugal stiffening effect is included in the derivation. A finite-dimensional model, including couplings of axial and transverse vibrations, and of elastic deformations and rigid motions, is obtained by the finite element method. By neglecting the axial motion, a simplified modelling, suitable for studying the transverse vibration and control of a beam with large angle and high-speed rotation, is presented. And suppressions of transverse vibrations of a rotating beam are simulated with the model by combining positive position feedback and momentum exchange feedback control laws. It is indicated that an improved performance for vibration control can be achieved with the method.

Cross sections for collisions of subexcitation electrons with molecules

International Nuclear Information System (INIS)

Itikawa, Y.

1983-01-01

A short review is given on the present knowledge about the collision processes of subexcitation electrons (i.e., electrons whose energy is below the threshold of the first electronically excited state) with molecules. The processes considered are: vibrational and rotational excitations and elastic scattering. As an example, stopping cross sections for those processes (and electronic excitation and ionization, for comparison) are shown graphically for N 2 and H 2 O. 21 references, 2 figures

Rotational and fine structure of open-shell molecules in nearly degenerate electronic states

Science.gov (United States)

Liu, Jinjun

2018-03-01

An effective Hamiltonian without symmetry restriction has been developed to model the rotational and fine structure of two nearly degenerate electronic states of an open-shell molecule. In addition to the rotational Hamiltonian for an asymmetric top, this spectroscopic model includes the energy separation between the two states due to difference potential and zero-point energy difference, as well as the spin-orbit (SO), Coriolis, and electron spin-molecular rotation (SR) interactions. Hamiltonian matrices are computed using orbitally and fully symmetrized case (a) and case (b) basis sets. Intensity formulae and selection rules for rotational transitions between a pair of nearly degenerate states and a nondegenerate state have also been derived using all four basis sets. It is demonstrated using real examples of free radicals that the fine structure of a single electronic state can be simulated with either a SR tensor or a combination of SO and Coriolis constants. The related molecular constants can be determined precisely only when all interacting levels are simulated simultaneously. The present study suggests that analysis of rotational and fine structure can provide quantitative insights into vibronic interactions and related effects.

Femtosecond investigation of electronic and vibrational dynamics of metal nano-objects and local order in glasses

International Nuclear Information System (INIS)

Burgin, Julien

2007-01-01

In this Ph.D. work we have investigated the electronic and vibrational properties of metallic nano objects as a function of their size, shape and composition, and studied the vibrational modes in glasses, using femtosecond time-resolved spectroscopy. In mono-metallic copper clusters, acceleration of the electron-lattice energy exchanges for sizes smaller than 10 nm has been demonstrated, confirming previous results in gold and silver clusters. The small size regime, i.e., nanoparticles smaller than 2 nm, has been addressed. The results show the limit of the classical confined material approach. In bi-metallic clusters, electron-lattice interaction has been shown to reflect their composition for gold-silver materials, but exhibits a more complex behavior in the case of segregated nickel-silver particles. The impact of shape, structure and environment on the acoustic vibrations of metallic nano-objects has also been studied. Measurements performed in ensemble or pairs of prisms yielded evidence for local fluctuations of their coupling with the substrate. Nano-structuration effects have been demonstrated in nano-columns and segregated components. The vibrational modes associated to local order in glasses have been investigated using a high sensitivity impulsive stimulated Raman scattering technique. The 'defect modes' of normal and densified silica, associated to vibrations of ring structures, have been observed and characterized, yielding information on the evolution of the ring density. Performing similar measurements in germania, we have demonstrated the existence of a vibrational mode due to a similar ring structure and determined its characteristics [fr

IUPAC critical evaluation of the rotational-vibrational spectra of water vapor. Part II

International Nuclear Information System (INIS)

Tennyson, Jonathan; Bernath, Peter F.; Brown, Linda R.; Campargue, Alain; Csaszar, Attila G.; Daumont, Ludovic; Gamache, Robert R.; Hodges, Joseph T.; Naumenko, Olga V.; Polyansky, Oleg L.; Rothman, Laurence S.; Toth, Robert A.; Vandaele, Ann Carine; Zobov, Nikolai F.; Fally, Sophie; Fazliev, Alexander Z.; Furtenbacher, Tibor; Gordon, Iouli E.; Hu, Shui-Ming

2010-01-01

This is the second of a series of articles reporting critically evaluated rotational-vibrational line positions, transition intensities, pressure dependences, and energy levels, with associated critically reviewed assignments and uncertainties, for all the main isotopologues of water. This article presents energy levels and line positions of the following singly deuterated isotopologues of water: HD 16 O, HD 17 O, and HD 18 O. The MARVEL (measured active rotational-vibrational energy levels) procedure is used to determine the levels, the lines, and their self-consistent uncertainties for the spectral regions 0-22 708, 0-1674, and 0-12 105 cm -1 for HD 16 O, HD 17 O, and HD 18 O, respectively. For HD 16 O, 54 740 transitions were analyzed from 76 sources, the lines come from spectra recorded both at room temperature and from hot samples. These lines correspond to 36 690 distinct assignments and 8818 energy levels. For HD 17 O, only 485 transitions could be analyzed from three sources; the lines correspond to 162 MARVEL energy levels. For HD 18 O, 8729 transitions were analyzed from 11 sources and these lines correspond to 1864 energy levels. The energy levels are checked against ones determined from accurate variational nuclear motion computations employing exact kinetic energy operators. This comparison shows that the measured transitions account for about 86% of the anticipated absorbance of HD 16 O at 296 K and that the transitions predicted by the MARVEL energy levels account for essentially all the remaining absorbance. The extensive list of MARVEL lines and levels obtained are given in the Supplementary Material of this article, as well as in a distributed information system applied to water, W-DIS, where they can easily be retrieved. In addition, the transition and energy level information for H 2 17 O and H 2 18 O, given in the first paper of this series [Tennyson, et al. J Quant Spectr Rad Transfer 2009;110:573-96], has been updated.

Rotation in a gravitational billiard

Science.gov (United States)

Peraza-Mues, G. G.; Carvente, Osvaldo; Moukarzel, Cristian F.

Gravitational billiards composed of a viscoelastic frictional disk bouncing on a vibrating wedge have been studied previously, but only from the point of view of their translational behavior. In this work, the average rotational velocity of the disk is studied under various circumstances. First, an experimental realization is briefly presented, which shows sustained rotation when the wedge is tilted. Next, this phenomenon is scrutinized in close detail using a precise numerical implementation of frictional forces. We show that the bouncing disk acquires a spontaneous rotational velocity whenever the wedge angle is not bisected by the direction of gravity. Our molecular dynamics (MD) results are well reproduced by event-driven (ED) simulations. When the wedge aperture angle θW>π/2, the average tangential velocity Rω¯ of the disk scales with the typical wedge vibration velocity vb, and is in general a nonmonotonic function of the overall tilt angle θT of the wedge. The present work focuses on wedges with θW=2π/3, which are relevant for the problem of spontaneous rotation in vibrated disk packings. This study makes part of the PhD Thesis of G. G. Peraza-Mues.

Rotational seismology

Science.gov (United States)

Lee, William H K.

2016-01-01

Rotational seismology is an emerging study of all aspects of rotational motions induced by earthquakes, explosions, and ambient vibrations. It is of interest to several disciplines, including seismology, earthquake engineering, geodesy, and earth-based detection of Einstein’s gravitation waves.Rotational effects of seismic waves, together with rotations caused by soil–structure interaction, have been observed for centuries (e.g., rotated chimneys, monuments, and tombstones). Figure 1a shows the rotated monument to George Inglis observed after the 1897 Great Shillong earthquake. This monument had the form of an obelisk rising over 19 metres high from a 4 metre base. During the earthquake, the top part broke off and the remnant of some 6 metres rotated about 15° relative to the base. The study of rotational seismology began only recently when sensitive rotational sensors became available due to advances in aeronautical and astronomical instrumentations.

Reactive collisions of electrons with H2+ , HD+, BeH+, BeD+ and SH+

Science.gov (United States)

Pop, Nicolina; Iacob, Felix; Mezei, János Zsolt; Motapon, Ousmanou; Niyonzima, Sebastien; Kashinski, David O.; Talbi, Dahbia; Hickman, Albert Peet; Schneider, Ioan F.

2017-12-01

In numerous cold ionized gases the dissociative recombination (DR), the elastic collisions (EC), the vibrational excitation (VE) (inelastic collisions) and the vibrational de-excitation (VdE) (super-elastic collisions) of molecular cations with electrons are major elementary processes. Using a stepwise method based on the Multichannel Quantum Defect Theory (MQDT), cross sections and rate coefficients have been obtained for reactions induced on HD+, H2+, BeH+, BeD+ and SH+. Moreover, the relative importance of the different reaction mechanisms, direct vs. indirect and rotational vs. non-rotational, have been studied for these molecular systems.

Performance studies of the vibration wire monitor on the test stand with low energy electron beam

International Nuclear Information System (INIS)

Okabe, Kota; Yoshimoto, Masahiro; Kinsho, Michikazu

2015-01-01

In the high intensity proton accelerator as the Japan Proton Accelerator Research Complex (J-PARC) accelerators, serious radiation and residual dose is induced by a small beam loss such a beam halo. Therefore, diagnostics of the beam halo formation is one of the most important issues to control the beam loss. For the beam halo monitor, the vibration wire monitor (VWM) has a potential for investigating the beam halo and weak beam scanning. The VWM has a wide dynamic range, high resolution and the VWM is not susceptible to secondary electrons and electric noises. We have studied the VWM features as a new beam-halo monitor on the test stand with low energy electron gun. The frequency shift of the irradiated vibration wire was confirmed about wire material and the electron beam profile measured by using the VWM was consistent with the results of the Faraday cup measurement. Also we calculated a temperature distribution on the vibration wire which is irradiated by the electron beam with the numerical simulation. The simulations have been fairly successful in reproducing the transient of the irradiated vibration wire frequency measured by test stand experiments. In this paper, we will report a result of performance evaluation for the VWM on the test stands and discuss the VWM for beam halo diagnostic. (author)

Toward yrast spectroscopy in soft vibrational nuclei

International Nuclear Information System (INIS)

Marumori, Toshio; Kuriyama, Atsushi; Sakata, Fumihiko.

1979-10-01

In a formally parallel way with that exciting progress has been recently achieved in understanding the yrast spectra of the rotational nuclei in terms of the quasi-particle motion in the rotating frame, an attempt to understand the yrast spectra of the vibrational nuclei in terms of the quasi-particle motion is proposed. The essential idea is to introduce the quasi-particle motion in a generalized vibrating frame, which can be regarded as a rotating frame in the gauge space of ''physical'' phonons where the number of the physical phonons plays the role of the angular momentum. On the basis of a simple fundamental principle called as the ''invariance principle of the Schroedinger equation'', which leads us to the ''maximal decoupling'' between the physical phonon and the intrinsic modes, it is shown that the vibrational frame as well as the physical-phonon-number operator represented by the quasi-particles can be self-consistently determined. A new scope toward the yrast spectroscopy of the vibrational nuclei in terms of the quasi-particle motion is discussed. (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.

Electromagnetic harvester for lateral vibration in rotating machines

Science.gov (United States)

de Araujo, Marcus Vinícius Vitoratti; Nicoletti, Rodrigo

2015-02-01

Energy harvesters are devices that convert mechanical energy, usually vibration, into electrical energy that can be used to supply low power circuits (e.g. sensors). In this work, an energy harvester is designed for converting the mechanical energy of the lateral vibrations of shafts into electrical energy. For that, permanent magnets are mounted in the shaft and coils are mounted in a fixed structure. A configuration analysis is performed to find the appropriated polarization of the magnets and orientation of the coils in order to have electromagnetic induction without resisting torque on the shaft. Experimental tests are done for different electrical configurations of the coils: independent, in series and, in parallel. The results show that more electric power is induced when the coils are connected in series, and vibration reduction is more evident when the coils are connected independently.

Probing Intermolecular Electron Delocalization in Dimer Radical Anions by Vibrational Spectroscopy

International Nuclear Information System (INIS)

Mani, Tomoyasu; Brookhaven National Laboratory; Grills, David C.

2017-01-01

Delocalization of charges is one of the factors controlling charge transport in conjugated molecules. It is considered to play an important role in the performance of a wide range of molecular technologies, including organic solar cells and organic electronics. Dimerization reactions are well-suited as a model to investigate intermolecular spatial delocalization of charges. And while dimerization reactions of radical cations are well investigated, studies on radical anions are still scarce. Upon dimerization of radical anions with neutral counterparts, an electron is considered to delocalize over the two molecules. By using time-resolved infrared (TRIR) detection coupled with pulse radiolysis, we show that radical anions of 4-n-hexyl-4'-cyanobiphenyl (6CB) undergo such dimerization reactions, with an electron equally delocalized over the two molecules. We have recently demonstrated that nitrile ν(C≡N) vibrations respond to the degree of electron localization of nitrile-substituted anions: we can quantify the changes in the electronic charges from the neutral to the anion states in the nitriles by monitoring the ν(C≡N) IR shifts. In the first part of this article, we show that the sensitivity of the ν(C≡N) IR shifts does not depend on solvent polarity. In the second part, we describe how probing the shifts of the nitrile IR vibrational band unambiguously confirms the formation of dimer radical anions, with K dim = 3 × 10 4 M –1 . IR findings are corroborated by electronic absorption spectroscopy and electronic structure calculations. We find that the presence of a hexyl chain and the formation of π–π interactions are both crucial for dimerization of radical anions of 6CB with neutral 6CB. Our study provides clear evidence of spatial delocalization of electrons over two molecular fragments.

ExoMol line lists - XXIX. The rotation-vibration spectrum of methyl chloride up to 1200 K

Science.gov (United States)

Owens, A.; Yachmenev, A.; Thiel, W.; Fateev, A.; Tennyson, J.; Yurchenko, S. N.

2018-06-01

Comprehensive rotation-vibration line lists are presented for the two main isotopologues of methyl chloride, 12CH335Cl and 12CH337Cl. The line lists, OYT-35 and OYT-37, are suitable for temperatures up to T = 1200 K and consider transitions with rotational excitation up to J = 85 in the wavenumber range 0-6400 cm-1 (wavelengths λ > 1.56 μm). Over 166 billion transitions between 10.2 million energy levels have been calculated variationally for each line list using a new empirically refined potential energy surface, determined by refining to 739 experimentally derived energy levels up to J = 5, and an established ab initio dipole moment surface. The OYT line lists show excellent agreement with newly measured high-temperature infrared absorption cross-sections, reproducing both strong and weak intensity features across the spectrum. The line lists are available from the ExoMol database and the CDS database.

Electron form factors of deformable nuclei

International Nuclear Information System (INIS)

Tartakovskii, V.K.; Isupov, V.Yu.

1988-01-01

Using the smallness of the deformation parameter of the nucleus, we obtain simple explicit expressions for the form factors of electroexcitation of the low-lying rotation-vibration states of light, deformable, even-even nuclei. The expressions satisfactorily describe the experimental data on the excitation of collective nuclear states by the inelastic scattering of fast electrons

State-to-state differential cross sections for rotationally inelastic scattering of Na2 by He

International Nuclear Information System (INIS)

Bergmann, K.; Hefter, U.; Witt, J.

1980-01-01

State-to-state differential cross sections for rotational transitions of Na 2 in collisions with He are measured in the electronic and vibrational ground state at thermal collision energies using a new laser technique. Single rotational levels j/sub i/ are labelled by modulation of their population via laser optical pumping using a dye laser. The modulation of the fluorescence induced by an Ar + laser tuned to the level j/sub f/=28 is proportional to the cross section for collisional transfer j/sub i/→j/sub f/ and is detected at the scattering angle theta. A single optical fiber and a fiber bundle provide a flexible connection between the detector and the laser and photomultiplier, respectively. Transitions as large as Δj=20 are observed. At small angles elastic scattering is dominant, but rotationally inelastic processes become increasingly important at larger scattering angles. Rotational rainbow structure causing a steep onset of the cross section with the scattering angle theta (at fixed Δj) or a sharp cutoff with Δj (at fixed theta) is found. Preliminary results on rotational energy transfer in v=1 indicates that vibrational motion of the molecule favors larger rotational quantum jumps. semiclassical picture for the scattering of a hard ellipsoid gives a

Analysis of nonlinear vibrations and stability of rotating asymmetrical nano-shafts incorporating surface energy effects

Science.gov (United States)

Ghodousi, Maryam; Shahgholi, Majid; Payganeh, Gholamhassan

2018-03-01

The objective of the present work is to investigate the nonlinear vibrations of the rotating asymmetrical nano-shafts by considering surface effect. In order to compute the surface stress tensor, the surface elasticity theory is used. The governing nonlinear equations of motion are obtained with the aid of variational approach. Bubnov-Galerkin is a very effective method for exploiting the reduced-order model of the equations of motion. The averaging method is employed to analyze the reduced-order model of the system. For this purpose, the well-known Van der Pol transformation in the complex form and angle-action transformation are utilized. The effect of surface stress on the forward and backward speeds, steady state responses of the system, fixed points, close orbits and stability of the solutions is examined. The preliminary results of the research show that the absolute values of forward and backward whirling speeds in the presence of surface effect with positive residual surface stress are higher than those of regarding the system without surface effect and in the presence of surface effect with negative residual surface stress. In addition, it is seen that the undamped rotating asymmetrical nano-shaft, for specified value of detuning parameter, in the absence or presence of surface effect has various number of stable and unstable periodic solutions. Besides, there is different number of separatrix (homoclinic orbit type). Furthermore, bifurcations, number of solutions and their stability for damped rotating asymmetrical nano-shaft are investigated. Also, the above results have been obtained for rotating symmetrical nano-shaft.

Rotational and vibrational spectra of ethynol from quantum-mechanical calculations

Science.gov (United States)

Defrees, D. J.; Mclean, A. D.

1982-01-01

It is noted that ethynol (HCCOH), despite the theoretical prediction of its stability to tautomerization to ketene, has thus far not been observed. It is shown here that the identification of this unknown molecule, both in space and in the laboratory, can be aided by an ab initio calculation of spectroscopic parameters. At the HF/3-21G level, harmonic vibrational frequencies are computed by way of analytic second differentiation of the Hartee-Fock (HF) energy with respect to the nuclear coordinates. After applying an empirical scale factor, the resultant frequencies are (per cm) 473, 517, 773, 841, 1003, 1217, 2206, 3285, and 3418. The computed dipole moment at the CISD/DZ+P level is 1.79 D. At the CISD+Q/DZ+P level, the molecule's rotational constants are determined. After scaling by empirical correction factors, they are used in deriving the 4(04) - 3(03) frequency of 76.81 + or - 0.3 GHz with a triplet splitting of 0.30 + or - 0.01 GHz. The triplet splitting involves 4(14) - 3(13) and 4(13) - 3(12) relative to the 4(04) - 3(03) transition as the central line.

New insights for mesospheric OH: multi-quantum vibrational relaxation as a driver for non-local thermodynamic equilibrium

Directory of Open Access Journals (Sweden)

K. S. Kalogerakis

2018-01-01

Full Text Available The question of whether mesospheric OH(v rotational population distributions are in equilibrium with the local kinetic temperature has been debated over several decades. Despite several indications for the existence of non-equilibrium effects, the general consensus has been that emissions originating from low rotational levels are thermalized. Sky spectra simultaneously observing several vibrational levels demonstrated reproducible trends in the extracted OH(v rotational temperatures as a function of vibrational excitation. Laboratory experiments provided information on rotational energy transfer and direct evidence for fast multi-quantum OH(high-v vibrational relaxation by O atoms. We examine the relationship of the new relaxation pathways with the behavior exhibited by OH(v rotational population distributions. Rapid OH(high-v + O multi-quantum vibrational relaxation connects high and low vibrational levels and enhances the hot tail of the OH(low-v rotational distributions. The effective rotational temperatures of mesospheric OH(v are found to deviate from local thermodynamic equilibrium for all observed vibrational levels. Dedicated to Tom G. Slanger in celebration of his 5 decades of research in aeronomy.

The vibrational behaviour of a cracked turbine rotor

International Nuclear Information System (INIS)

Grabowski, B.

1978-01-01

In order to detect an incipient crack on a turbine rotor with the aid of measurement of the shaft vibrations, these must be known in the first place the effects of a crack on the vibrational behavior of a rotor. For this purpose a method using the modal analysis is presented here. The rigidity depending on the angle of rotation at the position of the crack is accounted for by means of a model. Because of the composition of the computer code there may also be worked with measured values for the rigidity. The results of the calculations show that within the range of speeds, in which for many turbines the operating speed lies, a crack will cause distinct variations of the shaft vibrations. The crack stimulates vibrations with frequencies of rotation and frequencies of double-rotation. Both may be used for crack detection. Because of the strong dependence of the size of the amplitudes of vibration on the design of the rotor and the position of the crack each rotor should be subject to a detailed crack calculation for a better judgement of the measured values. (orig.) [de

Vibration measurements of the Daniel K. Inouye Solar Telescope mount, Coudé rotator, and enclosure assemblies

Science.gov (United States)

McBride, William R.; McBride, Daniel R.

2016-08-01

The Daniel K. Inouye Solar Telescope (DKIST) will be the largest solar telescope in the world, with a 4-meter off-axis primary mirror and 16 meter rotating Coudé laboratory within the telescope pier. The off-axis design requires a mount similar to an 8-meter on-axis telescope. Both the telescope mount and the Coudé laboratory utilize a roller bearing technology in place of the more commonly used hydrostatic bearings. The telescope enclosure utilizes a crawler mechanism for the altitude axis. As these mechanisms have not previously been used in a telescope, understanding the vibration characteristics and the potential impact on the telescope image is important. This paper presents the methodology used to perform jitter measurements of the enclosure and the mount bearings and servo system in a high-noise environment utilizing seismic accelerometers and high dynamic-range data acquisition equipment, along with digital signal processing (DSP) techniques. Data acquisition and signal processing were implemented in MATLAB. In the factory acceptance testing of the telescope mount, multiple accelerometers were strategically located to capture the six axes-of-motion of the primary and secondary mirror dummies. The optical sensitivity analysis was used to map these mirror mount displacements and rotations into units of image motion on the focal plane. Similarly, tests were done with the Coudé rotator, treating the entire rotating instrument lab as a rigid body. Testing was performed by recording accelerometer data while the telescope control system performed tracking operations typical of various observing scenarios. The analysis of the accelerometer data utilized noise-averaging fast Fourier transform (FFT) routines, spectrograms, and periodograms. To achieve adequate dynamic range at frequencies as low as 3Hz, the use of special filters and advanced windowing functions were necessary. Numerous identical automated tests were compared to identify and select the data sets

Vibrational relaxation in OCS mixtures

International Nuclear Information System (INIS)

Simpson, C.J.S.M.; Gait, P.D.; Simmie, J.M.

1976-01-01

Experimental measurements are reported of vibrational relaxation times which may be used to show whether there is near resonant vibration-rotation energy transfer between OCS and H 2 , D 2 or HD. Vibrational relaxation times have been measured in OCS and OCS mixtures over the temperature range 360 to 1000 K using a shock tube and a laser schlieren system. The effectiveness of the additives in reducing the relaxation time of OCS is in the order 4 He 3 He 2 2 and HD. Along this series the effect of an increase in temperature changes from the case of speeding up the rate with 4 He to retarding it with D 2 , HD and H 2 . There is no measurable difference in the effectiveness of n-D 2 and o-D 2 and little, or no, difference between n-H 2 and p-H 2 . Thus the experimental results do not give clear evidence for rotational-vibration energy transfer between hydrogen and OCS. This contrasts with the situation for CO 2 + H 2 mixtures. (author)

The role of ro-vibrational coupling in the revival dynamics of diatomic molecular wave packets

International Nuclear Information System (INIS)

Banerji, J; Ghosh, Suranjana

2006-01-01

We study the revival and fractional revivals of a diatomic molecular wave packet of circular states whose weighing coefficients are peaked about a vibrational quantum number ν-bar and a rotational quantum number j-bar. Furthermore, we show that the interplay between the rotational and vibrational motion is determined by a parameter γ =√D/C, where D is the dissociation energy and C is inversely proportional to the reduced mass of the two nuclei. Using I 2 and H 2 as examples, we show, both analytically and visually (through animations), that for γ>>ν-bar, j-bar, the rotational and vibrational time scales are so far apart that the ro-vibrational motion gets decoupled and the revival dynamics depends essentially on one time scale. For γ∼ν-bar, j-bar, on the other hand, the evolution of the wave packet depends crucially on both the rotational and vibrational time scales of revival. In the latter case, an interesting rotational-vibrational fractional revival is predicted and explained

Electro-mechanical coupling of rotating 3D beams

Directory of Open Access Journals (Sweden)

Stoykov S.

2016-01-01

Full Text Available A rotating thin-walled beam with piezoelectric element is analysed. The beam is considered to vibrate in space, hence the longitudinal, transverse and torsional deformations are taken into account. The bending deformations of the beam are modelled by assuming Timoshenko's theory. Torsion is included by considering that the cross section rotates as a rigid body but can deform in longitudinal direction due to warping. The warping function is computed preliminary by the finite element method. The equation of motion is derived by the principle of virtual work and discretized in space by the Ritz method. Electro-mechanical coupling is included in the model by considering the internal electrical energy and the electric charge output. The piezo-electric constitutive relations are used in reduced form. The beam is assumed to rotate about a fixed axis with constant speed. The equation of motion is derived in rotating coordinate system, but the influence of the rotation of the coordinate system is taken into account through the inertia forces. Results in time domain are presented for different speeds of rotation and frequencies of vibration. The influence of the speed of rotation and of the frequency of vibration on the electrical output is presented and analysed.

Rabi oscillations in the dissociative continuum: Rotation and alignment effects

Science.gov (United States)

Granucci, Giovanni; Magnier, Sylvie; Persico, Maurizio

2002-01-01

We have simulated a set of experiments in which Rabi oscillations are induced in bound-free and free-free transitions of a diatomic molecule. Dissociative vibrational states belonging to different electronic terms are involved. We show analytically and confirm computationally that a simple relationship exists between the one-dimensional dynamics of a molecule with fixed orientation with respect to the polarization of the radiation field and the three-dimensional dynamics of a rotating system. It is demonstrated that sufficiently short laser pulses can induce oscillations in the probabilities of two coupled electronic states, and in the yields of the respective dissociation products, as functions of the radiation intensity. As a result of molecular rotation the oscillations are damped but not washed out. The initial thermal distribution on several rotational levels has a negligible effect on the photodissociation yields and other experimentally relevant quantities. Since the molecule undergoes a strong alignment along the polarization axis of the laser field, the ejection of atoms and ions is anisotropic. We have chosen the well known diatomic ion Na2+ as a convenient example.

Cases of coupled vibrations and prametric instability in rotating machines

OpenAIRE

Luneno, Jean-Claude

2012-01-01

The principal task in this research project was to analyse the causes and consequences of coupled vibrations and parametric instability in hydropower rotors; where both horizontal and vertical machines are involved. Vibration is a well-known undesirable behavior of dynamical systems characterised by persistent periodic, quasi-periodic or chaotic motions. Vibrations generate noise and cause fatigue, which initiates cracks in mechanical structures. Motions coupling can in some cases augment the...

Theoretical study of molecular vibrations in electron momentum spectroscopy experiments on furan: An analytical versus a molecular dynamical approach

International Nuclear Information System (INIS)

Morini, Filippo; Deleuze, Michael S.; Watanabe, Noboru; Takahashi, Masahiko

2015-01-01

The influence of thermally induced nuclear dynamics (molecular vibrations) in the initial electronic ground state on the valence orbital momentum profiles of furan has been theoretically investigated using two different approaches. The first of these approaches employs the principles of Born-Oppenheimer molecular dynamics, whereas the so-called harmonic analytical quantum mechanical approach resorts to an analytical decomposition of contributions arising from quantized harmonic vibrational eigenstates. In spite of their intrinsic differences, the two approaches enable consistent insights into the electron momentum distributions inferred from new measurements employing electron momentum spectroscopy and an electron impact energy of 1.2 keV. Both approaches point out in particular an appreciable influence of a few specific molecular vibrations of A 1 symmetry on the 9a 1 momentum profile, which can be unravelled from considerations on the symmetry characteristics of orbitals and their energy spacing

Nozzle Flow with Vibrational Nonequilibrium. Ph.D. Thesis

Science.gov (United States)

Landry, John Gary

1995-01-01

Flow of nitrogen gas through a converging-diverging nozzle is simulated. The flow is modeled using the Navier-Stokes equations that have been modified for vibrational nonequilibrium. The energy equation is replaced by two equations. One equation accounts for energy effects due to the translational and rotational degrees of freedom, and the other accounts for the affects due to the vibrational degree of freedom. The energy equations are coupled by a relaxation time which measures the time required for the vibrational energy component to equilibrate with the translational and rotational energy components. An improved relaxation time is used in this thesis. The equations are solved numerically using the Steger-Warming flux vector splitting method and the Implicit MacCormack method. The results show that uniform flow is produced outside of the boundary layer. Nonequilibrium exists in both the converging and diverging nozzle sections. The boundary layer region is characterized by a marked increase in translational-rotational temperature. The vibrational temperature remains frozen downstream of the nozzle, except in the boundary layer.

A computational perspective of vibrational and electronic analysis of potential photosensitizer 2-chlorothioxanthone

Science.gov (United States)

Ali, Narmeen; Mansha, Asim; Asim, Sadia; Zahoor, Ameer Fawad; Ghafoor, Sidra; Akbar, Muhammad Usman

2018-03-01

This paper deals with combined theoretical and experimental study of geometric, electronic and vibrational properties of 2-chlorothioxanthone (CTX) molecule which is potential photosensitizer. The FT-IR spectrum of CTX in solid phase was recorded in 4000-400 cm-1 region. The UV-Vis. absorption spectrum was also recorded in the laboratory as well as computed at DFT/B3LYP level in five different phases viz. gas, water, DMSO, acetone and ethanol. The quantum mechanics based theoretical IR and Raman spectra were also calculated for the title compound employing HF and DFT functional with 3-21G+, 6-31G+ and 6-311G+, 6-311G++ basis sets, respectively, and assignment of each vibrational frequency has been done on the basis of potential energy distribution (PED). A comparison has been made between theoretical and experimental vibrational spectra as well as for the UV-Vis. absorption spectra. The computed infra red & Raman spectra by DFT compared with experimental spectra along with reliable vibrational assignment based on PED. The calculated electronic properties, results of natural bonding orbital (NBO) analysis, charge distribution, dipole moment and energies have been reported in the paper. Bimolecular quenching of triplet state of CTX in the presence of triethylamine, 2-propanol triethylamine and diazobicyclooctane (DABCO) reflect the interactions between them. The bimolecular quenching rate constant is fastest for interaction of 3CTX in the presence of DABCO reflecting their stronger interactions.

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

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

Diagnosis of excessive vibration signals of two-pole generator rotors in balancing

International Nuclear Information System (INIS)

Park, Jong Po

2000-01-01

Cause of excessive vibration with twice the rotational speed of a two-pole generator rotor for the fossil power plants was investigated. The two-pole generator rotor, treated as a typically asymmetric rotor in vibration analysis, produces asynchronous vibration with twice the rotational speed, sub-harmonic critical speeds, and potentially unstable operating zones due to its own inertia and/or stiffness asymmetry. This paper introduces a practical balancing procedure, and presents the results of the investigation on sources of the excessive vibration based on the experimental vibration data of the asymmetric two-pole rotor in balancing

Dynamics of rotating and vibrating thin hemispherical shell with mass and damping imperfections and parametrically driven by discrete electrodes

CSIR Research Space (South Africa)

Shatalov, M

2009-05-01

Full Text Available stream_source_info Shatalov2_2009.pdf.txt stream_content_type text/plain stream_size 22572 Content-Encoding UTF-8 stream_name Shatalov2_2009.pdf.txt Content-Type text/plain; charset=UTF-8 1 DYNAMICS OF ROTATING... AND VIBRATING THIN HEMISPHERICAL SHELL WITH MASS AND DAMPING IMPERFECTIONS AND PARAMETRICALLY DRIVEN BY DISCRETE ELECTRODES Michael Shatalov1,2 and Charlotta Coetzee2 1Sensor Science and Technology (SST) of CSIR Material Science and Manufacturing (MSM...

A nonlocal, ab initio model of dissociative electron attachment and vibrational excitation of NO

International Nuclear Information System (INIS)

Trevisan, Cynthia S.; Houfek, Karel; Zhang, Zhiyong; Orel, Ann E.; McCurdy, C. William; Rescigno, Thomas N.

2005-01-01

We present the results of an ab initio study of elastic scattering and vibrational excitation of NO by electron impact in the loW--energy (0-2 eV) region where the cross sections are dominated by resonance contributions. The 3Sigma-, 1Delta and 1Sigma+ NO- resonance lifetimes are taken from our earlier study [Phys. Rev. A 69, 062711 (2004)], but the resonance energies used here are obtained from new configuration-interaction studies. Here we employ a more elaborate nonlocal treatment of the nuclear dynamics, which is found to remedy the principal deficiencies of the local complex potential model we employed in our earlier study, and gives cross sections in better agreement with the most recent experiments. We also present cross sections for dissociative electron attachment to NO leading to groundstate products. The calculations show that, while the peak cross sections starting from NO in its ground vibrational state are very small, the cross sections are extremely sensitive to vibrational excitation of the target and should be readily observable for target NO molecules excited to v = 10 and above

Vibrational and electronic spectra of 2-nitrobenzanthrone: An experimental and computational study

Science.gov (United States)

Onchoke, Kefa K.; Chaudhry, Saad N.; Ojeda, Jorge J.

2016-01-01

The environmental pollutant 2-nitrobenzanthrone (2-NBA) poses human health hazards, and is formed by atmospheric reactions of NOX gases with atmospheric particulates. Though its mutagenic effects have been studied in biological systems, its comprehensive spectroscopic experimental data are scarce. Thus, vibrational and optical spectroscopic analysis (UV-Vis, and fluorescence) of 2-NBA was studied using both experimental and density functional theory employing B3LYP method with 6-311 + G(d,p) basis set. The scaled theoretical vibrational frequencies show good agreement to experiment to within 5 cm- 1 and NBA, respectively. On the basis of normal coordinate analysis complete assignments of harmonic experimental infrared and Raman bands are made. The influence of the nitro group substitution upon the benzanthrone structure and symmetric CH vibrations, and electronic spectra is noted. This study is useful for the development of spectroscopy-mutagenicity relationships in nitrated polycyclic aromatic hydrocarbons.

Vibrational excitations in molecular layers probed by ballistic electron microscopy

Energy Technology Data Exchange (ETDEWEB)

Kajen, Rasanayagam Sivasayan; Chandrasekhar, Natarajan [Institute of Materials Research and Engineering, 3 Research Link, 117602 (Singapore); Feng Xinliang; Muellen, Klaus [Max-Planck-Institut fuer Polymerforschung, Postfach 3148, D-55021 Mainz (Germany); Su Haibin, E-mail: n-chandra@imre.a-star.edu.sg, E-mail: muellen@mpip-mainz.mpg.de, E-mail: hbsu@ntu.edu.sg [Division of Materials Science, Nanyang Technological University, 50 Nanyang Avenue, 639798 (Singapore)

2011-10-28

We demonstrate the information on molecular vibrational modes via the second derivative (d{sup 2}I{sub B}/dV{sup 2}) of the ballistic electron emission spectroscopy (BEES) current. The proposed method does not create huge fields as in the case of conventional derivative spectroscopy and maintains a zero bias across the device. BEES studies carried out on three different types of large polycyclic aromatic hydrocarbon (PAH) molecular layers show that the d{sup 2}I{sub B}/dV{sup 2} spectra consist of uniformly spaced peaks corresponding to vibronic excitations. The peak spacing is found to be identical for molecules within the same PAH family though the BEES onset voltage varies for different molecules. In addition, injection into a particular orbital appears to correspond to a specific vibrational mode as the manifestation of the symmetry principle.

Coupled channel analysis of the 142Ce (α,α)142Ce* reaction: study of a vibrational-rotational transition nucleus

International Nuclear Information System (INIS)

Appoloni, C.R.

1983-01-01

The angular distribution of the elastic and inelastic scattering of a particles corresponding to the excitation of the low-lying collective states of 142 Ce were measured at an incident energy of 18.0 MeV. The angular distribution of the following excited states were obtained: 641, 1.219, 1.450, 1.536, 1.653, 1.742, 2.004, 2.043, 2.114, 2.125, 2.279, 2.364, 2.542, 2.604 e 3.067 MeV. The angular distributions of the ground state and the first six excited states were analysed within the flamework of the Anharmonic Vibrational and Symmetric Rotational Models, with the Coupled Channel Theory. The Anharmonic Vibrational Model gave the best and most complete description of the experimental data. The wave functions and the deformation parameters of the analysed states were determined. (Author) [pt

Monitoring machining conditions by analyzing cutting force vibration

Energy Technology Data Exchange (ETDEWEB)

Piao, Chun Guang; Kim, Ju Wan; Kim, Jin Oh; Shin, Yoan [Soongsl University, Seoul (Korea, Republic of)

2015-09-15

This paper deals with an experimental technique for monitoring machining conditions by analyzing cutting-force vibration measured at a milling machine. This technique is based on the relationship of the cutting-force vibrations with the feed rate and cutting depth as reported earlier. The measurement system consists of dynamic force transducers and a signal amplifier. The analysis system includes an oscilloscope and a computer with a LabVIEW program. Experiments were carried out at various feed rates and cutting depths, while the rotating speed was kept constant. The magnitude of the cutting force vibration component corresponding to the number of cutting edges multiplied by the frequency of rotation was linearly correlated with the machining conditions. When one condition of machining is known, another condition can be identified by analyzing the cutting-force vibration.

Monitoring machining conditions by analyzing cutting force vibration

International Nuclear Information System (INIS)

Piao, Chun Guang; Kim, Ju Wan; Kim, Jin Oh; Shin, Yoan

2015-01-01

This paper deals with an experimental technique for monitoring machining conditions by analyzing cutting-force vibration measured at a milling machine. This technique is based on the relationship of the cutting-force vibrations with the feed rate and cutting depth as reported earlier. The measurement system consists of dynamic force transducers and a signal amplifier. The analysis system includes an oscilloscope and a computer with a LabVIEW program. Experiments were carried out at various feed rates and cutting depths, while the rotating speed was kept constant. The magnitude of the cutting force vibration component corresponding to the number of cutting edges multiplied by the frequency of rotation was linearly correlated with the machining conditions. When one condition of machining is known, another condition can be identified by analyzing the cutting-force vibration

Vibrations and waves

CERN Document Server

Kaliski, S

2013-01-01

This book gives a comprehensive overview of wave phenomena in different media with interacting mechanical, electromagnetic and other fields. Equations describing wave propagation in linear and non-linear elastic media are followed by equations of rheological models, models with internal rotational degrees of freedom and non-local interactions. Equations for coupled fields: thermal, elastic, electromagnetic, piezoelectric, and magneto-spin with adequate boundary conditions are also included. Together with its companion volume Vibrations and Waves. Part A: Vibrations this work provides a wealth

Lumped Parameter Modeling for Rapid Vibration Response Prototyping and Test Correlation for Electronic Units

Science.gov (United States)

Van Dyke, Michael B.

2013-01-01

Present preliminary work using lumped parameter models to approximate dynamic response of electronic units to random vibration; Derive a general N-DOF model for application to electronic units; Illustrate parametric influence of model parameters; Implication of coupled dynamics for unit/board design; Demonstrate use of model to infer printed wiring board (PWB) dynamics from external chassis test measurement.

Deep proton tunneling in the electronically adiabatic and non-adiabatic limits: Comparison of the quantum and classical treatment of donor-acceptor motion in a protein environment

Energy Technology Data Exchange (ETDEWEB)

Benabbas, Abdelkrim; Salna, Bridget; Sage, J. Timothy; Champion, Paul M., E-mail: champ@neu.edu [Department of Physics and Center for Interdisciplinary Research on Complex Systems,Northeastern University, Boston, Massachusetts 02115 (United States)

2015-03-21

Analytical models describing the temperature dependence of the deep tunneling rate, useful for proton, hydrogen, or hydride transfer in proteins, are developed and compared. Electronically adiabatic and non-adiabatic expressions are presented where the donor-acceptor (D-A) motion is treated either as a quantized vibration or as a classical “gating” distribution. We stress the importance of fitting experimental data on an absolute scale in the electronically adiabatic limit, which normally applies to these reactions, and find that vibrationally enhanced deep tunneling takes place on sub-ns timescales at room temperature for typical H-bonding distances. As noted previously, a small room temperature kinetic isotope effect (KIE) does not eliminate deep tunneling as a major transport channel. The quantum approach focuses on the vibrational sub-space composed of the D-A and hydrogen atom motions, where hydrogen bonding and protein restoring forces quantize the D-A vibration. A Duschinsky rotation is mandated between the normal modes of the reactant and product states and the rotation angle depends on the tunneling particle mass. This tunnel-mass dependent rotation contributes substantially to the KIE and its temperature dependence. The effect of the Duschinsky rotation is solved exactly to find the rate in the electronically non-adiabatic limit and compared to the Born-Oppenheimer (B-O) approximation approach. The B-O approximation is employed to find the rate in the electronically adiabatic limit, where we explore both harmonic and quartic double-well potentials for the hydrogen atom bound states. Both the electronically adiabatic and non-adiabatic rates are found to diverge at high temperature unless the proton coupling includes the often neglected quadratic term in the D-A displacement from equilibrium. A new expression is presented for the electronically adiabatic tunnel rate in the classical limit for D-A motion that should be useful to experimentalists working

Assessment of electron propagator methods for the simulation of vibrationally-resolved valence and core photoionization spectra

Science.gov (United States)

Baiardi, A.; Paoloni, L.; Barone, V.; Zakrzewski, V.G.; Ortiz, J.V.

2017-01-01

The analysis of photoelectron spectra is usually facilitated by quantum mechanical simulations. Due to the recent improvement of experimental techniques, the resolution of experimental spectra is rapidly increasing, and the inclusion of vibrational effects is usually mandatory to obtain a reliable reproduction of the spectra. With the aim of defining a robust computational protocol, a general time-independent formulation to compute different kinds of vibrationally-resolved electronic spectra has been generalized to support also photoelectron spectroscopy. The electronic structure data underlying the simulation are computed using different electron propagator approaches. In addition to the more standard approaches, a new and robust implementation of the second-order self-energy approximation of the electron propagator based on a transition operator reference (TOEP2) is presented. To validate our implementation, a series of molecules has been used as test cases. The result of the simulations shows that, for ultraviolet photoionization spectra, the more accurate non-diagonal approaches are needed to obtain a reliable reproduction of vertical ionization energies, but diagonal approaches are sufficient for energy gradients and pole strengths. For X-ray photoelectron spectroscopy, the TOEP2 approach, besides being more efficient, is also the most accurate in the reproduction of both vertical ionization energies and vibrationally-resolved bandshapes. PMID:28521087

Recycler Electron Cooling Project: Mechanical vibrations in the Pelletron and their effect on the beam

International Nuclear Information System (INIS)

Kazakevich, Grigory M.; Burov, A.; Boffo, C.; Joireman, P.; Saewert, G.; Schmidt, C.W.; Shemyakin, A.; Fermilab

2005-01-01

The Fermilab's Recycler ring will employ an electron cooler to cool stored 8.9 GeV antiprotons [1]. The cooler is based on an electrostatic accelerator, Pelletron [2], working in an energy-recovery regime. A full-scale prototype of the cooler has been assembled and commissioned in a separate building [3]. The main goal of the experiments with the prototype was to demonstrate stable operation with a 3.5 MeV, 0.5 A DC electron beam while preserving a high beam quality in the cooling section. The quality is characterized, first of all, by a spread of electron velocities in the cooling section, which may be significantly affected by mechanical vibration of the Pelletron elements. This paper describes the results of vibration measurements in the Pelletron terminal and correlates them with the beam motion in the cooling section

Rate coefficients for dissociative attachment and resonant electron-impact dissociation involving vibrationally excited O{sub 2} molecules

Energy Technology Data Exchange (ETDEWEB)

Laporta, V. [Istituto di Metodologie Inorganiche e dei Plasmi, CNR, Bari, Italy and Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom); Celiberto, R. [Dipartimento di Ingegneria Civile, Ambientale, del Territorio, Edile e di Chimica, Politecnico di Bari, Italy and Istituto di Metodologie Inorganiche e dei Plasmi, CNR, Bari (Italy); Tennyson, J. [Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom)

2014-12-09

Rate coefficients for dissociative electron attachment and electron-impact dissociation processes, involving vibrationally excited molecular oxygen, are presented. Analytical fits of the calculated numerical data, useful in the applications, are also provided.

High-resolution sub-Doppler infrared spectroscopy of atmospherically relevant Criegee precursor CH2I radicals: CH2 stretch vibrations and "charge-sloshing" dynamics

Science.gov (United States)

Kortyna, A.; Lesko, D. M. B.; Nesbitt, D. J.

2018-05-01

The combination of a pulsed supersonic slit-discharge source and single-mode difference frequency direct absorption infrared spectroscopy permit first high resolution infrared study of the iodomethyl (CH2I) radical, with the CH2I radical species generated in a slit jet Ne/He discharge and cooled to 16 K in the supersonic expansion. Dual laser beam detection and collisional collimation in the slit expansion yield sub-Doppler linewidths (60 MHz), an absolute frequency calibration of 13 MHz, and absorbance sensitivities within a factor of two of the shot-noise limit. Fully rovibrationally resolved direct absorption spectra of the CH2 symmetric stretch mode (ν2) are obtained and fitted to a Watson asymmetric top Hamiltonian with electron spin-rotation coupling, providing precision rotational constants and spin-rotation tensor elements for the vibrationally excited state. Analysis of the asymmetric top rotational constants confirms a vibrationally averaged planar geometry in both the ground- and first-excited vibrational levels. Sub-Doppler resolution permits additional nuclear spin hyperfine structures to be observed, with splittings in excellent agreement with microwave measurements on the ground state. Spectroscopic data on CH2I facilitate systematic comparison with previous studies of halogen-substituted methyl radicals, with the periodic trends strongly correlated with the electronegativity of the halogen atom. Interestingly, we do not observe any asymmetric CH2 stretch transitions, despite S/N ≈ 25:1 on strongest lines in the corresponding symmetric CH2 stretch manifold. This dramatic reversal of the more typical 3:1 antisymmetric/symmetric CH2 stretch intensity ratio signals a vibrational transition moment poorly described by simple "bond-dipole" models. Instead, the data suggest that this anomalous intensity ratio arises from "charge sloshing" dynamics in the highly polar carbon-iodine bond, as supported by ab initio electron differential density plots and

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.

Millimetre Wave Rotational Spectrum of Glycolic Acid

Science.gov (United States)

Kisiel, Zbigniew; Pszczolkowski, Lech; Bialkowska-Jaworska, Ewa; Charnley, Steven B.

2016-01-01

The pure rotational spectrum of glycolic acid, CH2OHCOOH, was studied in the region 115-318 GHz. For the most stable SSC conformer, transitions in all vibrational states up to 400 cm(exp -1) have been measured and their analysis is reported. The data sets for the ground state, v21 = 1, and v21 = 2 have been considerably extended. Immediately higher in vibrational energy are two triads of interacting vibrational states and their rotational transitions have been assigned and successfully fitted with coupled Hamiltonians accounting for Fermi and Coriolis resonances. The derived energy level spacings establish that the vibrational frequency of the v21 mode is close to 100 cm(exp -1). The existence of the less stable AAT conformer in the near 50 C sample used in our experiment was also confirmed and additional transitions have been measured.

Long-lasting effects of neck muscle vibration and contraction on self-motion perception of vestibular origin.

Science.gov (United States)

Pettorossi, Vito Enrico; Panichi, Roberto; Botti, Fabio Massimo; Biscarini, Andrea; Filippi, Guido Maria; Schieppati, Marco

2015-10-01

To show that neck proprioceptive input can induce long-term effects on vestibular-dependent self-motion perception. Motion perception was assessed by measuring the subject's error in tracking in the dark the remembered position of a fixed target during whole-body yaw asymmetric rotation of a supporting platform, consisting in a fast rightward half-cycle and a slow leftward half-cycle returning the subject to the initial position. Neck muscles were relaxed or voluntarily contracted, and/or vibrated. Whole-body rotation was administered during or at various intervals after the vibration train. The tracking position error (TPE) at the end of the platform rotation was measured during and after the muscle conditioning maneuvers. Neck input produced immediate and sustained changes in the vestibular perceptual response to whole-body rotation. Vibration of the left sterno-cleido-mastoideus (SCM) or right splenius capitis (SC) or isometric neck muscle effort to rotate the head to the right enhanced the TPE by decreasing the perception of the slow rotation. The reverse effect was observed by activating the contralateral muscle. The effects persisted after the end of SCM conditioning, and slowly vanished within several hours, as tested by late asymmetric rotations. The aftereffect increased in amplitude and persistence by extending the duration of the vibration train (from 1 to 10min), augmenting the vibration frequency (from 5 to 100Hz) or contracting the vibrated muscle. Symmetric yaw rotation elicited a negligible TPE, upon which neck muscle vibrations were ineffective. Neck proprioceptive input induces enduring changes in vestibular-dependent self-motion perception, conditional on the vestibular stimulus feature, and on the side and the characteristics of vibration and status of vibrated muscles. This shows that our perception of whole-body yaw-rotation is not only dependent on accurate vestibular information, but is modulated by proprioceptive information related to

Rotor Vibration Reduction via Active Hybrid Bearings

DEFF Research Database (Denmark)

Nicoletti, Rodrigo; Santos, Ilmar

2002-01-01

The use of fluid power to reduce and control rotor vibration in rotating machines is investigated. An active hybrid bearing is studied, whose main objective is to reduce wear and vibration between rotating and stationary machinery parts. By injecting pressurised oil into the oil film, through...... orifices machined in the bearing pads, one can alter the machine dynamic characteristics, thus enhancing its operational range. A mathematical model of the rotor-bearing system, as well as of the hydraulic system, is presented. Numerical results of the system frequency response show good agreement...

Deducing Electronic Unit Internal Response During a Vibration Test Using a Lumped Parameter Modeling Approach

Science.gov (United States)

Van Dyke, Michael B.

2014-01-01

During random vibration testing of electronic boxes there is often a desire to know the dynamic response of certain internal printed wiring boards (PWBs) for the purpose of monitoring the response of sensitive hardware or for post-test forensic analysis in support of anomaly investigation. Due to restrictions on internally mounted accelerometers for most flight hardware there is usually no means to empirically observe the internal dynamics of the unit, so one must resort to crude and highly uncertain approximations. One common practice is to apply Miles Equation, which does not account for the coupled response of the board in the chassis, resulting in significant over- or under-prediction. This paper explores the application of simple multiple-degree-of-freedom lumped parameter modeling to predict the coupled random vibration response of the PWBs in their fundamental modes of vibration. A simple tool using this approach could be used during or following a random vibration test to interpret vibration test data from a single external chassis measurement to deduce internal board dynamics by means of a rapid correlation analysis. Such a tool might also be useful in early design stages as a supplemental analysis to a more detailed finite element analysis to quickly prototype and analyze the dynamics of various design iterations. After developing the theoretical basis, a lumped parameter modeling approach is applied to an electronic unit for which both external and internal test vibration response measurements are available for direct comparison. Reasonable correlation of the results demonstrates the potential viability of such an approach. Further development of the preliminary approach presented in this paper will involve correlation with detailed finite element models and additional relevant test data.

Observation of an energy threshold for large ΔE collisional relaxation of highly vibrationally excited pyrazine (Evib=31 000-41 000 cm-1) by CO2

Science.gov (United States)

Elioff, Michael S.; Wall, Mark C.; Lemoff, Andrew S.; Mullin, Amy S.

1999-03-01

Energy dependent studies of the collisional relaxation of highly vibrationally excited pyrazine through collisions with CO2 were performed for initial pyrazine energies Evib=31 000-35 000 cm-1. These studies are presented along with earlier results for pyrazine with Evib=36 000-41 000 cm-1. High-resolution transient IR laser absorption of individual CO2 (0000) rotational states (J=56-80) was used to investigate the magnitude and partitioning of energy gain into CO2 rotation and translation, which comprises the high energy tail of the energy transfer distribution function. Highly vibrationally excited pyrazine was prepared by absorption of pulsed UV light at seven wavelengths in the range λ=281-324 nm, followed by radiationless decay to pyrazine's ground electronic state. Nascent CO2 (0000) rotational populations were measured for each UV excitation wavelength and distributions of nascent recoil velocities for individual rotational states of CO2 (0000) were obtained from Doppler-broadened transient linewidth measurements. Measurements of energy transfer rate constants at each UV wavelength yield energy-dependent probabilities for collisions involving large ΔE values. These results reveal that the magnitude of large ΔE collisional energy gain in CO2 (0000) is fairly insensitive to the amount of vibrational energy in pyrazine for Evib=31 000-35 000 cm-1. A comparison with earlier studies on pyrazine with Evib=36 000-41 000 cm-1 indicates that the V→RT energy transfer increases both in magnitude and probability for Evib>36 000 cm-1. Implications of incomplete intramolecular vibrational relaxation, electronic state coupling, and isomerization barriers are discussed in light of these results.

Millimeterwave spectroscopy of active laser plasmas; the excited vibrational states of HCN

International Nuclear Information System (INIS)

De Lucia, F.C.; Helminger, P.A.

1977-01-01

Millimeter and submillimeter microwave techniques have been used for the spectroscopic study of an HCN laser plasma. Forty-seven rotational transitions in 12 excited vibrational states have been observed. Numerous rotational, vibrational, and perturbation parameters have been calculated from these data. A discussion of experimental techniques is included

Condition monitoring of PARR-1 rotating machines by vibration analysis technique

Directory of Open Access Journals (Sweden)

Qadir Javed

2014-01-01

Full Text Available Vibration analysis is a key tool for preventive maintenance involving the trending and analysis of machinery performance parameters to detect and identify developing problems before failure and extensive damage can occur. A lab-based experimental setup has been established for obtaining fault-free and fault condition data. After this analysis, primary and secondary motor and pump vibration data of the Pakistan Research Reactor-1 were obtained and analyzed. Vibration signatures were acquired in horizontal, vertical, and axial directions. The 48 vibration signatures have been analyzed to assess the operational status of motors and pumps. The vibration spectrum has been recorded for a 2000 Hz frequency span with a 3200 lines resolution. The data collected should be helpful in future Pakistan Research Reactor-1 condition monitoring.

Poloidal rotation driven by electron cyclotron resonance wave in tokamak plasmas

Directory of Open Access Journals (Sweden)

Qing Zhou

2017-10-01

Full Text Available The poloidal electric filed, which is the drive field of poloidal rotation, has been observed and increases obviously after the injection of electron cyclotron resonance wave in HL-2A experiment, and the amplitude of the poloidal electric field is in the order of 103 V/m. Through theoretical analysis using Stringer rotation model, the observed poloidal electric field is of the same order as the theoretical calculation value. In addition, the magnetic pump damping which would damp the poloidal rotation is calculated numerically and the calculation results show that the closer to the core plasmas, the stronger the magnetic pump damping will be. Meanwhile, according to the value of the calculated magnetic pump damping, the threshold of the poloidal electric field which could overcome magnetic pump damping and drive poloidal rotation in tokamak plasmas is given out. Finally, the poloidal rotation velocity over time at different minor radius is studied theoretically.

Nightmare from which you will never awake: Electronic to vibrational spectra!

Energy Technology Data Exchange (ETDEWEB)

De Silva, Nuwon [Iowa State Univ., Ames, IA (United States)

2013-01-01

The theoretical background of ab initio methods and density functional theory is provided. The anharmonicity associated with weakly bound metal cation dihydrogen complexes is examined using the vibrational self-consistent field (VSCF) method and the interaction between a hydrogen molecule and a metal cation is characterized. A study of molecular hydrogen clustering around the lithium cation and their accompanied vibrational anharmonicity employing VSCF is illustrated. A qualitative interpretation is provided of solvent-induced shifts of amides and simulated electronic absorption spectra using the combined time-dependent density functional theory/effective fragment potential method (TDDFT/EFP). An excited-state solvent assisted quadruple hydrogen atom transfer reaction of a coumarin derivative is elucidated using micro solvated quantum mechanical (QM) water and macro solvated EFP water. A dispersion correction to the QM-EFP1 interaction energy is presented.

Excited states rotational effects on the behavior of excited molecules

CERN Document Server

Lim, Edward C

2013-01-01

Excited States, Volume 7 is a collection of papers that discusses the excited states of molecules. The first paper reviews the rotational involvement in intra-molecular in vibrational redistribution. This paper analyzes the vibrational Hamiltonian as to its efficacy in detecting the manifestations of intra-molecular state-mixing in time-resolved and time-averaged spectroscopic measurements. The next paper examines the temporal behavior of intra-molecular vibration-rotation energy transfer (IVRET) and the effects of IVRET on collision, reaction, and the decomposition processes. This paper also

Probing electronic and vibrational properties at the electrochemical interface using SFG spectroscopy: Methanol electro-oxidation on Pt(1 1 0)

Science.gov (United States)

Vidal, F.; Busson, B.; Tadjeddine, A.

2005-02-01

We report the study of methanol electro-oxidation on Pt(1 1 0) using infrared-visible sum-frequency generation (SFG) vibrational spectroscopy. The use of this technique enables to probe the vibrational and electronic properties of the interface simultaneously in situ. We have investigated the vibrational properties of the interface in the CO ads internal stretch spectral region (1700-2150 cm -1) over a wide range of potentials. The analysis of the evolution of the C-O stretch line shape, which is related to the interference between the vibrational and electronic parts of the non-linear response, with the potential allows us to show that the onset of bulk methanol oxidation corresponds to the transition from a negatively to a positively charged surface.

Thermo-dynamical contours of electronic-vibrational spectra simulated using the statistical quantum-mechanical methods

DEFF Research Database (Denmark)

Pomogaev, Vladimir; Pomogaeva, Anna; Avramov, Pavel

2011-01-01

Three polycyclic organic molecules in various solvents focused on thermo-dynamical aspects were theoretically investigated using the recently developed statistical quantum mechanical/classical molecular dynamics method for simulating electronic-vibrational spectra. The absorption bands of estradiol...

Calculated rotational and vibrational g factors of LiH X ¹S⁺ and evaluation of parameters in radial functions from rotational and vibration-rotational spectra

DEFF Research Database (Denmark)

Sauer, Stephan P. A.; Paidarová, Ivana; Oddershede, Jens

2011-01-01

The vibrational g factor, that is, the nonadiabatic correction to the vibrational reduced mass, of LiH has been calculated for internuclear distances over a wide range. Based on multiconfigurational wave functions with a large complete active space and an extended set of gaussian type basis...

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)

Sensibility to Changes of Vibrational Modes of Excited Electron: Sum Frequency Signals Versus Difference Frequency Signals

International Nuclear Information System (INIS)

Gu Anna; Liang Xianting

2011-01-01

In this paper, we investigate a two electronic level system with vibrational modes coupled to a Brownian oscillator bath. The difference frequency generation (DFG) signals and sum frequency generation (SFG) signals are calculated. It is shown that, for the same model, the SFG signals are more sensitive than the DFG signals to the changes of the vibrational modes of the electronic two-level system. Because the SFG conversion efficiency can be improved by using the time-delay method, the findings in this paper predict that the SFG spectrum may probe the changes of the microstructure more effectively. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

Vibrational and electronic spectroscopic studies of melatonin

Science.gov (United States)

Singh, Gurpreet; Abbas, J. M.; Dogra, Sukh Dev; Sachdeva, Ritika; Rai, Bimal; Tripathi, S. K.; Prakash, Satya; Sathe, Vasant; Saini, G. S. S.

2014-01-01

We report the infrared absorption and Raman spectra of melatonin recorded with 488 and 632.8 nm excitations in 3600-2700 and 1700-70 cm-1 regions. Further, we optimized molecular structure of the three conformers of melatonin within density functional theory calculations. Vibrational frequencies of all three conformers have also been calculated. Observed vibrational bands have been assigned to different vibrational motions of the molecules on the basis of potential energy distribution calculations and calculated vibrational frequencies. Observed band positions match well with the calculated values after scaling except Nsbnd H stretching mode frequencies. It is found that the observed and calculated frequencies mismatch of Nsbnd H stretching is due to intermolecular interactions between melatonin molecules.

Aircraft gas turbine engine vibration diagnostics

Directory of Open Access Journals (Sweden)

Stanislav Fábry

2017-11-01

Full Text Available In the Czech and Slovak aviation are in service elderly aircrafts, usually produced in former Soviet Union. Their power units can be operated in more efficient way, in case of using additional diagnostic methods that allow evaluating their health. Vibration diagnostics is one of the methods indicating changes of rotational machine dynamics. Ground tests of aircraft gas turbine engines allow vibration recording and analysis. Results contribute to airworthiness evaluation and making corrections, if needed. Vibration sensors distribution, signal recording and processing are introduced in a paper. Recorded and re-calculated vibration parameters are used in role of health indicators.

Benchmarking density-functional-theory calculations of rotational g tensors and magnetizabilities using accurate coupled-cluster calculations.

Science.gov (United States)

Lutnaes, Ola B; Teale, Andrew M; Helgaker, Trygve; Tozer, David J; Ruud, Kenneth; Gauss, Jürgen

2009-10-14

An accurate set of benchmark rotational g tensors and magnetizabilities are calculated using coupled-cluster singles-doubles (CCSD) theory and coupled-cluster single-doubles-perturbative-triples [CCSD(T)] theory, in a variety of basis sets consisting of (rotational) London atomic orbitals. The accuracy of the results obtained is established for the rotational g tensors by careful comparison with experimental data, taking into account zero-point vibrational corrections. After an analysis of the basis sets employed, extrapolation techniques are used to provide estimates of the basis-set-limit quantities, thereby establishing an accurate benchmark data set. The utility of the data set is demonstrated by examining a wide variety of density functionals for the calculation of these properties. None of the density-functional methods are competitive with the CCSD or CCSD(T) methods. The need for a careful consideration of vibrational effects is clearly illustrated. Finally, the pure coupled-cluster results are compared with the results of density-functional calculations constrained to give the same electronic density. The importance of current dependence in exchange-correlation functionals is discussed in light of this comparison.

FAULT DIAGNOSIS IN ROTATING MACHINE USING FULL SPECTRUM OF VIBRATION AND FUZZY LOGIC

Directory of Open Access Journals (Sweden)

ROGER R. DA SILVA

2017-11-01

Full Text Available Industries are always looking for more efficient maintenance systems to minimize machine downtime and productivity liabilities. Among several approaches, artificial intelligence techniques have been increasingly applied to machine diagnosis. Current paper forwards the development of a system for the diagnosis of mechanical faults in the rotating structures of machines, based on fuzzy logic, using rules foregrounded on the full spectrum of the machine´s complex vibration signal. The diagnostic system was developed in Matlab and it was applied to a rotor test rig where different faults were introduced. Results showed that the diagnostic system based on full spectra and fuzzy logic is capable of identifying with precision different types of faults, which have similar half spectrum. The methodology has a great potential to be implemented in predictive maintenance programs in industries and may be expanded to include the identification of other types of faults not covered in the case study under analysis.

Proposals of electronic-vibrational energy relaxation studies by using laser pulses synchronized with IR-SR pulses

International Nuclear Information System (INIS)

Nakagawa, Hideyuki

2000-01-01

Synchrotron radiation is expected to be the sharp infrared light source for the advanced experiments on IR and FIR spectroscopy in wide research fields. Especially, synchronized use of SR with VIS and/or UV laser light is to be a promising technique for the research on the dynamical properties of the photo-excited states in condensed materials. Some proposals are attempted for high resolution IR spectroscopy to elucidate fine interaction of molecular ions in crystalline solids with their environmental field and for time-resolved IR spectroscopic studies on the electronic and vibrational energy relaxation by using laser pulses synchronized with IR-SR pulses. Several experimental results are presented in relevance to the subjects; on high-resolution FTIR spectra of cyanide ions and metal cyanide complexes in cadmium halide crystals, on the energy up-conversion process among the vibrational levels of cyanide ions in alkali halide crystals, and on the electronic-to-vibrational energy conversion process in metal cyanide complexes. (author)

Vibration and Operational Characteristics of a Composite-Steel (Hybrid) Gear

Science.gov (United States)

Handschuh, Robert F.; LaBerge, Kelsen E.; DeLuca, Samuel; Pelagalli, Ryan

2014-01-01

Hybrid gears have been tested consisting of metallic gear teeth and shafting connected by composite web. Both free vibration and dynamic operation tests were completed at the NASA Glenn Spur Gear Fatigue Test Facility, comparing these hybrid gears to their steel counterparts. The free vibration tests indicated that the natural frequency of the hybrid gear was approximately 800 Hz lower than the steel test gear. The dynamic vibration tests were conducted at five different rotational speeds and three levels of torque in a four square test configuration. The hybrid gears were tested both as fabricated (machined, composite layup, then composite cure) and after regrinding the gear teeth to the required aerospace tolerance. The dynamic vibration tests indicated that the level of vibration for either type of gearing was sensitive to the level of load and rotational speed.

Structural, Electronic, Magnetic, and Vibrational Properties of Graphene and Silicene: A First-Principles Perspective

KAUST Repository

Kaloni, Thaneshwor P.

2013-01-01

This thesis covers the structural, electronic, magnetic, and vibrational properties of graphene and silicene. In Chapter I, we will start with an introduction to graphene and silicene. In Chapter II, we will briefly discuss about the methodology (i

Influence of defects on the vibrations of rotating systems

International Nuclear Information System (INIS)

Lazarus, A.

2008-01-01

For high rotation speeds, the imperfections (cracks, anisotropy...) of rotating machinery of the energy sector lead to a specific vibratory behavior which can damage the machine. The simulation of rotating machinery are usually realized for systems without defect. The aim of this thesis is to understand the influence of defects and to propose an algorithm to predict the dynamical behavior. In a first part the author studies the simplified rotating oscillators to propose a numerical method in order to taking into account the dynamic of these systems. This method is then applied to real rotating machinery with the Cast3m software. The numerical results are validated with experiments. (A.L.B.)

Shunted Piezoelectric Vibration Damping Analysis Including Centrifugal Loading Effects

Science.gov (United States)

Min, James B.; Duffy, Kirsten P.; Provenza, Andrew J.

2011-01-01

Excessive vibration of turbomachinery blades causes high cycle fatigue problems which require damping treatments to mitigate vibration levels. One method is the use of piezoelectric materials as passive or active dampers. Based on the technical challenges and requirements learned from previous turbomachinery rotor blades research, an effort has been made to investigate the effectiveness of a shunted piezoelectric for the turbomachinery rotor blades vibration control, specifically for a condition with centrifugal rotation. While ample research has been performed on the use of a piezoelectric material with electric circuits to attempt to control the structural vibration damping, very little study has been done regarding rotational effects. The present study attempts to fill this void. Specifically, the objectives of this study are: (a) to create and analyze finite element models for harmonic forced response vibration analysis coupled with shunted piezoelectric circuits for engine blade operational conditions, (b) to validate the experimental test approaches with numerical results and vice versa, and (c) to establish a numerical modeling capability for vibration control using shunted piezoelectric circuits under rotation. Study has focused on a resonant damping control using shunted piezoelectric patches on plate specimens. Tests and analyses were performed for both non-spinning and spinning conditions. The finite element (FE) shunted piezoelectric circuit damping simulations were performed using the ANSYS Multiphysics code for the resistive and inductive circuit piezoelectric simulations of both conditions. The FE results showed a good correlation with experimental test results. Tests and analyses of shunted piezoelectric damping control, demonstrating with plate specimens, show a great potential to reduce blade vibrations under centrifugal loading.

Piezoelectric pushers for active vibration control of rotating machinery

Science.gov (United States)

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

1989-01-01

The active control of rotordynamic vibrations and stability by magnetic bearings and electromagnetic shakers have been discussed extensively in the literature. These devices, though effective, are usually large in volume and add significant weight to the stator. The use of piezoelectric pushers may provide similar degrees of effectiveness in light, compact packages. Tests are currently being conducted with piezoelectric pusher-based active vibration control. Results from tests performed on NASA test rigs as preliminary verification of the related theory are presented.

Study on the annular leakage-flow-induced vibrations. 1st Report. Stability for translational and rotational single-degree-of-freedom systems; Kanjo sukimaryu reiki shindo ni kansuru kenkyu. 1. Heishin oyobi kaiten 1 jiyudokei no anteise

Energy Technology Data Exchange (ETDEWEB)

Li, D.W. [Hitachi, Ltd., Tokyo (Japan); Kaneko, S. [The University of Tokyo, Tokyo (Japan); Hayama, S. [Toyama Prefectural University, Toyama (Japan)

1999-07-25

This study reports the stability of annular leakage-flow-induced vibrations. The pressure distribution of fluid between a fixed outer cylinder and a vibrating inner cylinder was obtained in the case of a translationally and rotationally coupled motion of the inner cylinder. The unsteady fluid force acting on the inner cylinder in the case of translational and rotational single-degree-of-freedom vibrations was then expressed in terms proportional to the acceleration, velocity, and displacement. Then the critical flow rate (at which stability was lost) was determined for an annular leakage-flow-induced vibration. Finally, the stability was investigated theoretically. It is known that instability will occur in the case of a divergent passage, but the critical flow rate depends on the passage increment in a limited range: the eccentricity of the passage and the pressure loss factor at the inlet of the passage lower the stability. (author)

Statistical Signal Processing by Using the Higher-Order Correlation between Sound and Vibration and Its Application to Fault Detection of Rotational Machine

Directory of Open Access Journals (Sweden)

Hisako Masuike

2008-01-01

Full Text Available In this study, a stochastic diagnosis method based on the changing information of not only a linear correlation but also a higher-order nonlinear correlation is proposed in a form suitable for online signal processing in time domain by using a personal computer, especially in order to find minutely the mutual relationship between sound and vibration emitted from rotational machines. More specifically, a conditional probability hierarchically reflecting various types of correlation information is theoretically derived by introducing an expression on the multidimensional probability distribution in orthogonal expansion series form. The effectiveness of the proposed theory is experimentally confirmed by applying it to the observed data emitted from a rotational machine driven by an electric motor.

Structural, electronic and vibrational properties of lanthanide monophosphide at high pressure

Energy Technology Data Exchange (ETDEWEB)

Panchal, J. M., E-mail: amitjignesh@yahoo.co.in [Government Engineering College, Gandhinagar382028, Gujarat (India); Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India); Joshi, Mitesh [Government Polytechnic for Girls, Athwagate, Surat395001, Gujarat (India); Gajjar, P. N., E-mail: pngajjar@rediffmail.com [Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India)

2016-05-06

A first-principles plane wave self-consistent method with the ultra-soft-pseudopotential scheme in the framework of the density functional theory (DFT) is performed to study structural, electronic and vibrational properties of LaP for Rock-salt (NaCl/Bl) and Cesium-chloride (CsCl/B2) phases. The instability of Rock-salt (NaCl/Bl) phases around the transition is discussed. Conclusions based on electronic energy band structure, density of state, phonon dispersion and phonon density of states in both phases are outlined. The calculated results are consistence and confirm the successful applicability of quasi-harmonic phonon theory for structural instability studies for the alloys.

Structural, electronic and vibrational properties of lanthanide monophosphide at high pressure

International Nuclear Information System (INIS)

Panchal, J. M.; Joshi, Mitesh; Gajjar, P. N.

2016-01-01

A first-principles plane wave self-consistent method with the ultra-soft-pseudopotential scheme in the framework of the density functional theory (DFT) is performed to study structural, electronic and vibrational properties of LaP for Rock-salt (NaCl/Bl) and Cesium-chloride (CsCl/B2) phases. The instability of Rock-salt (NaCl/Bl) phases around the transition is discussed. Conclusions based on electronic energy band structure, density of state, phonon dispersion and phonon density of states in both phases are outlined. The calculated results are consistence and confirm the successful applicability of quasi-harmonic phonon theory for structural instability studies for the alloys.

Rotating machinery surveillance system reduces plant downtime and radiation exposure

International Nuclear Information System (INIS)

Bohanick, J.S.; Robinson, J.C.; Allen, J.W.

1988-01-01

A rotating machinery surveillance system (RMSS) was permanently installed at Grand Gulf nuclear station (GGNS) as part of a program sponsored by the US Department of Energy whose goal was to reduce radiation exposure to power plant personnel resulting from the inspection, maintenance, and repair of rotating machinery. The RMSS was installed at GGNS in 1983 to continuously monitor 173 analog vibration signals from proximity probes mounted on 26 machine trains and ∼450 process data points via a computer data link. Vibration frequency spectra, i.e., the vibration amplitude versus frequency of vibration, and various characterizations of these spectra are the fundamental data collected by the RMSS for performing machinery diagnostics. The RMSS collects vibration frequency spectra on a daily basis for all the monitored rotating equipment and automatically stores the collected spectra for review by the vibration engineer. Vibration spectra automatically stored by the RMSS fall into categories that include the last normal, alarm, minimum and maximum, past three-day data set, baseline, current, and user-saved spectra. During first and second fuel-cycle operation at GGNS, several significant vibration problems were detected by the RMSS. Two of these are presented in this paper: recirculation pumps and turbine-generator bearing degradation. The total reduction in personnel radiation exposure at GGNS from 1985 to 1987 due to the presence of the RMSS was estimated to be in the range from 49 to 54 person-rem

Rapid vibrational and rotational energy-transfer rates in heated carbon dioxide collisions by double-resonance laser spectroscopy

International Nuclear Information System (INIS)

Thomason, M.D.

1982-07-01

Rates for resonant vibrational and rotational energy transfer from the 001 state by CO 2 + CO 2 collisions have been measured. All data were obtained by double resonance spectroscopy with CO 2 lasers in a 2.5 meter absorption cell at 700 0 K. Results for rotation transfer include pumped-level relaxation and the response of other 001 levels with ΔJ up to 18. These data are compared to four relevant collision models via a 35-level rate equation analysis. Sequence-band (002 → 101) and hot-band (011 → 110) lasting have been used to observe resonant nu 3 -transfer relaxation involving 001 + 001 reversible 002 + 000, 001 + 100 reversible 101 + 000, and 001 + 010 reversible 011 + 000. A multilevel rate analysis has been utilized to determine the rate coefficients for 001 going to the 002, the 101, and the 011 levels. Part of the hot-band data has been interpreted as due to 110 + 000 reversible 100 + 010, and the associated rate constant has been estimated. The results of the study are compared to the theory and to other experiments

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.

The method of executing the vibration tendency management of the intermittent driving equipment in the nuclear plant

International Nuclear Information System (INIS)

Yonekawa, Yutaka; Fukunaga, Tatsuya

2008-01-01

The main rotary machine is often an intermittent driving machine in the nuclear plant. On the other hand, it was a problem for the vibration method to detect the vibration when rotating, and very to achieve the vibration tendency management for the equipment that did not rotate though it positively worked on the introduction of the equipment diagnosis technology by the vibration method of the rotation equipment in the nuclear plant. This time, because the tendency management system of the intermittent driving equipment is developed, and the tendency management was achieved, it introduces the outline and an actual case. (author)

Electron Acceleration in the Field-reversed Configuration (FRC) by Slowly Rotation Odd-parity Magnetic Fields (RMFo)

International Nuclear Information System (INIS)

Glasser, A.H.; Cohen, S.A.

2001-01-01

The trajectories of individual electrons are studied numerically in a 3D, prolate, FRC [field-reversed configuration] equilibrium magnetic geometry with added small-amplitude, slowly rotating, odd-parity magnetic fields (RMFos). RMFos cause electron heating by toroidal acceleration near the O-point line and by field-parallel acceleration away from it, both followed by scattering from magnetic-field inhomogeneities. Electrons accelerated along the O-point line move antiparallel to the FRC's current and attain average toroidal angular speeds near that of the RMFo, independent of the sense of RMFo rotation. A conserved transformed Hamiltonian, dependent on electron energy and RMFo sense, controls electron flux-surface coordinate

Rigid-body rotation of an electron cloud in divergent magnetic fields

International Nuclear Information System (INIS)

Fruchtman, A.; Gueroult, R.; Fisch, N. J.

2013-01-01

For a given voltage across a divergent poloidal magnetic field, two electric potential distributions, each supported by a rigid-rotor electron cloud rotating with a different frequency, are found analytically. The two rotation frequencies correspond to the slow and fast rotation frequencies known in uniform plasma. Due to the centrifugal force, the equipotential surfaces, that correspond to the two electric potential distributions, diverge more than the magnetic surfaces do, the equipotential surfaces in the fast mode diverge largely in particular. The departure of the equipotential surfaces from the magnetic field surfaces may have a significant focusing effect on the ions accelerated by the electric field. The focusing effect could be important for laboratory plasma accelerators as well as for collimation of astrophysical jets

Electron and molecular ion collisions relevant to divertor plasma

International Nuclear Information System (INIS)

Takagi, H.

2005-01-01

We introduce the concept of the multi-channel quantum defect theory (MQDT) and show the outline of the MQDT newly extended to include the dissociative states. We investigate some molecular processes relevant to the divertor plasma by using the MQDT: the dissociative recombination, dissociative excitation, and rotation-vibrational transition in the hydrogen molecular ion and electron collisions. (author)

An electronic pan/tilt/magnify and rotate camera system

International Nuclear Information System (INIS)

Zimmermann, S.; Martin, H.L.

1992-01-01

A new camera system has been developed for omnidirectional image-viewing applications that provides pan, tilt, magnify, and rotational orientation within a hemispherical field of view (FOV) without any moving parts. The imaging device is based on the fact that the image from a fish-eye lens, which produces a circular image of an entire hemispherical FOV, can be mathematically corrected using high-speed electronic circuitry. More specifically, an incoming fish-eye image from any image acquisition source is captured in the memory of the device, a transformation is performed for the viewing region of interest and viewing direction, and a corrected image is output as a video image signal for viewing, recording, or analysis. The image transformation device can provide corrected images at frame rates compatible with RS-170 standard video equipment. As a result, this device can accomplish the functions of pan, tilt, rotation, and magnification throughout a hemispherical FOV without the need for any mechanical devices. Multiple images, each with different image magnifications and pan-tilt-rotate parameters, can be obtained from a single camera

Structure of vibrational and rotational nuclei

International Nuclear Information System (INIS)

Otsuka, Takaharu

1980-01-01

The nuclear collective motion is discussed in terms of the Interacting Boson Model (IBM). Results of phenomenological studies by the IBM are presented, and the relation between the IBM and the geometrical models such as the vibration model, the rotor model, etc., is pointed out. A microscopic picture for the IBM is shown, in which bosons are introduced as a tool to describe the motion of nucleon pairs. It is emphasized that the IBM can give a unified understanding of the nuclear collective motion. (author)

H2+ embedded in a Debye plasma: Electronic and vibrational properties

OpenAIRE

Angel, M. L.; Montgomery Jr, H. E.

2010-01-01

The effect of plasma screening on the electronic and vibrational properties of the H2+ molecular ion was analyzed within the Born-Oppenheimer approximation. When a molecule is embedded in a plasma, the plasma screens the electrostatic interactions. This screening is accounted for in the Schr\\"odinger equation by replacing the Coulomb potentials with Yukawa potentials that incorporate the Debye length as a screening parameter. Variational expansions in confocal elliptical coordinates were used...

Structural, Electronic, Magnetic, and Vibrational Properties of Graphene and Silicene: A First-Principles Perspective

KAUST Repository

Kaloni, Thaneshwor P.

2013-11-01

This thesis covers the structural, electronic, magnetic, and vibrational properties of graphene and silicene. In Chapter I, we will start with an introduction to graphene and silicene. In Chapter II, we will briefly discuss about the methodology (i. e. density functional theory)In Chapter III, we will introduce band gap opening in graphene either by introducing defects/doping or by creating superlattices with h-BN substrate. In Chapter IV, we will focus on the structural and electronic properties of K and Ge-intercalated graphene on SiC(0001). In addition, the enhancement of the superconducting transition temperature in Li-decorated graphene supported by h-BN substrate will be discussed. In Chapter V, we will discuss the vibrational properties of free-standing silicene. In addition, superlattices of silicene with h-BN as well as the phase transition in silicene by applying an external electric field will be discussed. The electronic and magnetic properties transition metal decorated silicene will be discussed, in particular the realization of the quantum anomalous Hall effect will be addressed. Furthermore, the structural, electronic, and magnetic properties of Mn decorated silicene supported by h-BN substrate will be discussed. The conclusion is included in Chapters VI. Finally, we will end with references and a list of publications for this thesis.

Vibration Spectrum Analysis for Indicating Damage on Turbine and Steam Generator Amurang Unit 1

Directory of Open Access Journals (Sweden)

Beny Cahyono

2017-12-01

Full Text Available Maintenance on machines is a mandatory asset management activity to maintain asset reliability in order to reduce losses due to failure. 89% of defects have random failure mode, the proper maintenance method is predictive maintenance. Predictive maintenance object in this research is Steam Generator Amurang Unit 1, which is predictive maintenance is done through condition monitoring in the form of vibration analysis. The conducting vibration analysis on Amurang Unit 1 Steam Generator is because vibration analysis is very effective on rotating objects. Vibration analysis is predicting the damage based on the vibration spectrum, where the vibration spectrum is the result of separating time-based vibrations and simplifying them into vibrations based on their frequency domain. The transformation of time-domain-wave into frequency-domain-wave is using the application of FFT, namely AMS Machinery. The measurement of vibration value is done on turbine bearings and steam generator of Unit 1 Amurang using Turbine Supervisory Instrument and CSI 2600 instrument. The result of this research indicates that vibration spectrum from Unit 1 Amurang Power Plant indicating that there is rotating looseness, even though the vibration value does not require the Unit 1 Amurang Power Plant to stop operating (shut down. This rotating looseness, at some point, can produce some indications that similar with the unbalance. In order to avoid more severe vibrations, it is necessary to do inspection on the bearings in the Amurang Unit 1 Power Plant.

Optical rotation and electron spin resonance of an electro-optically active polythiophene

International Nuclear Information System (INIS)

Goto, Hiromasa

2010-01-01

Graphical abstract: The electro-chiroptical polythiophene displays optical rotation at wavelengths corresponding to the doping band observable in the absorption spectra. The formation of polarons on the main-chain is confirmed by electron spin resonance measurements. - Abstract: A chiroptical polythiophene, is synthesized by electrolytic polymerization in a cholesteric liquid crystal electrolyte solution. The polymer displays a fingerprint texture similar to that of the cholesteric electrolyte solution. Upon electrochemical doping, the polymer displays optical rotation at wavelengths corresponding to the doping band observable in the absorption spectra. The formation of polarons on the main-chain is confirmed by electron spin resonance measurements. The results demonstrate the intermolecular chirality of polarons in this π-conjugated polymer, indicating continuum delocalized polarons are in a three-dimensional helical environment.

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

Electron transport in the plasma edge with rotating resonant magnetic perturbations at the TEXTOR tokamak

International Nuclear Information System (INIS)

Stoschus, Henning

2011-01-01

Small three-dimensional (3D) magnetic perturbations can be used as a tool to control the edge plasma parameters in magnetically confined plasmas in high confinement mode (''H-mode'') to suppress edge instabilities inherent to this regime, the Edge Localized Modes (ELMs). In this work, the impact of rotating 3D resonant magnetic perturbation (RMP) fields on the edge plasma structure characterized by electron density and temperature fields is investigated. We study a low confinement (L-mode) edge plasma (r/a>0.9) with high resistivity (edge electron collisionality ν * e >4) at the TEXTOR tokamak. The plasma structure in the plasma edge is measured by a set of high resolution diagnostics: a fast CCD camera (Δt=20 μs) is set up in order to visualize the plasma structure in terms of electron density variations. A supersonic helium beam diagnostic is established as standard diagnostic at TEXTOR to measure electron density n e and temperature T e with high spatial (Δr=2 mm) and temporal resolution (Δt=20 μs). The measured plasma structure is compared to modeling results from the fluid plasma and kinetic neutral transport code EMC3-EIRENE. A sequence of five new observations is discussed: (1) Imaging of electron density variations in the plasma edge shows that a fast rotating RMP field imposes an edge plasma structure, which rotates with the external RMP rotation frequency of vertical stroke ν RMP vertical stroke =1 kHz. (2) Measurements of the electron density and temperature provide strong experimental evidence that in the far edge a rotating 3D scrape-off layer (SOL) exists with helical exhaust channels to the plasma wall components. (3) Radially inward, the plasma structure at the next rational flux surface is found to depend on the relative rotation between external RMP field and intrinsic plasma rotation. For low relative rotation the plasma structure is dominated by a particle and energy loss along open magnetic field lines to the wall components. For high

Electron transport in the plasma edge with rotating resonant magnetic perturbations at the TEXTOR tokamak

Energy Technology Data Exchange (ETDEWEB)

Stoschus, Henning

2011-10-13

Small three-dimensional (3D) magnetic perturbations can be used as a tool to control the edge plasma parameters in magnetically confined plasmas in high confinement mode (''H-mode'') to suppress edge instabilities inherent to this regime, the Edge Localized Modes (ELMs). In this work, the impact of rotating 3D resonant magnetic perturbation (RMP) fields on the edge plasma structure characterized by electron density and temperature fields is investigated. We study a low confinement (L-mode) edge plasma (r/a>0.9) with high resistivity (edge electron collisionality {nu}{sup *}{sub e}>4) at the TEXTOR tokamak. The plasma structure in the plasma edge is measured by a set of high resolution diagnostics: a fast CCD camera ({delta}t=20 {mu}s) is set up in order to visualize the plasma structure in terms of electron density variations. A supersonic helium beam diagnostic is established as standard diagnostic at TEXTOR to measure electron density n{sub e} and temperature T{sub e} with high spatial ({delta}r=2 mm) and temporal resolution ({delta}t=20 {mu}s). The measured plasma structure is compared to modeling results from the fluid plasma and kinetic neutral transport code EMC3-EIRENE. A sequence of five new observations is discussed: (1) Imaging of electron density variations in the plasma edge shows that a fast rotating RMP field imposes an edge plasma structure, which rotates with the external RMP rotation frequency of vertical stroke {nu}{sub RMP} vertical stroke =1 kHz. (2) Measurements of the electron density and temperature provide strong experimental evidence that in the far edge a rotating 3D scrape-off layer (SOL) exists with helical exhaust channels to the plasma wall components. (3) Radially inward, the plasma structure at the next rational flux surface is found to depend on the relative rotation between external RMP field and intrinsic plasma rotation. For low relative rotation the plasma structure is dominated by a particle and energy loss

Possible interaction between thermal electrons and vibrationally excited N2 in the lower E-region

Directory of Open Access Journals (Sweden)

K.-I. Oyama

2011-03-01

Full Text Available As one of the tasks to find the energy source(s of thermal electrons, which elevate(s electron temperature higher than neutral temperature in the lower ionosphere E-region, energy distribution function of thermal electron was measured with a sounding rocket at the heights of 93–131 km by the applying second harmonic method. The energy distribution function showed a clear hump at the energy of ~0.4 eV. In order to find the reason of the hump, we conducted laboratory experiment. We studied difference of the energy distribution functions of electrons in thermal energy range, which were measured with and without EUV radiation to plasma of N2/Ar and N2/O2 gas mixture respectively. For N2/Ar gas mixture plasma, the hump is not clearly identified in the energy distribution of thermal electrons. On the other hand for N2/O2 gas mixture, which contains vibrationally excited N2, a clear hump is found when irradiated by EUV. The laboratory experiment seems to suggest that the hump is produced as a result of interaction between vibrationally excited N2 and thermal electrons, and this interaction is the most probable heating source for the electrons of thermal energy range in the lower E-region. It is also suggested that energy distribution of the electrons in high energy part may not be Maxwellian, and DC probe measures the electrons which are non Maxwellian, and therefore "electron temperature" is calculated higher.

Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics

International Nuclear Information System (INIS)

Deyne, Andy Van Yperen-De; Pauwels, Ewald; Ghysels, An; Waroquier, Michel; Van Speybroeck, Veronique; Hemelsoet, Karen; De Meyer, Thierry; De Clerck, Karen

2014-01-01

A Fourier-based method is presented to relate changes of the molecular structure during a molecular dynamics simulation with fluctuations in the electronic excitation energy. The method implies sampling of the ground state potential energy surface. Subsequently, the power spectrum of the velocities is compared with the power spectrum of the excitation energy computed using time-dependent density functional theory. Peaks in both spectra are compared, and motions exhibiting a linear or quadratic behavior can be distinguished. The quadratically active motions are mainly responsible for the changes in the excitation energy and hence cause shifts between the dynamic and static values of the spectral property. Moreover, information about the potential energy surface of various excited states can be obtained. The procedure is illustrated with three case studies. The first electronic excitation is explored in detail and dominant vibrational motions responsible for changes in the excitation energy are identified for ethylene, biphenyl, and hexamethylbenzene. The proposed method is also extended to other low-energy excitations. Finally, the vibrational fingerprint of the excitation energy of a more complex molecule, in particular the azo dye ethyl orange in a water environment, is analyzed

Detection of water and its derivatives on individual nanoparticles using vibrational electron energy-loss spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Crozier, Peter A., E-mail: crozier@asu.edu [School for the Engineering of Matter, Transport and Energy, Arizona State University, 501 E. Tyler Mall, Tempe, AZ 85287-6106 (United States); Aoki, Toshihiro [LeRoy Eyring Center for Solid State Science, Arizona State University, Tempe, AZ 85287-1704 (United States); Liu, Qianlang [School for the Engineering of Matter, Transport and Energy, Arizona State University, 501 E. Tyler Mall, Tempe, AZ 85287-6106 (United States)

2016-10-15

Understanding the role of water, hydrate and hydroxyl species on nanoparticle surfaces and interfaces is very important in both physical and life sciences. Detecting the presence of oxygen-hydrogen species with nanometer resolution is extremely challenging at present. Here we show that the recently developed vibrational electron energy-loss spectroscopy using subnanometer focused electron beams can be employed to spectroscopically identify the local presence and variation of OH species on nanoscale surfaces. The hydrogen-oxygen fingerprint can be correlated with highly localized structural and morphological information obtained from electron imaging. Moreover, the current approach exploits the aloof beam mode of spectral acquisition which does not require direct electron irradiation of the sample thus greatly reducing beam damage to the OH bond. These findings open the door for using electron microscopy to probe local hydroxyl and hydrate species on nanoscale organic and inorganic structures. - Highlights: • High spatial resolution spectroscopic detection of water related species in nanoparticles. • Detection of OH stretch modes with vibrational EELS. • Differentiation between hydrate and hydroxide species on or on nanoparticles. • Detection of hydrate on a single 60 nm oxide nanoparticle of MgO. • Use of aloof beam EELS to minimize radiation damage.

Seismic isolation floor and vibration control equipment for nuclear power plant

International Nuclear Information System (INIS)

Niwa, H.; Fujimoto, S.; Aida, Y.; Miyano, H.

1996-01-01

We have developed a seismic isolation floor to improve protection against earthquakes for process computer systems, and a magnetic dynamic damper to reduce the mechanical vibrations of piping systems and pumps in nuclear power plants. Seismic excitation tests of the seismic isolation floor, on which process computer systems were installed, were performed using large earthquake simulators. The test results proved that the seismic isolation floor significantly reduced seismic forces. To control mechanical vibrations, a magnetic dynamic damper was designed using permanent magnets. This magnetic dynamic damper does not require mechanical springs, dampers and supports in the floors and walls of the building. Vibration tests using a rotating machine model confirmed that the magnetic dynamic damper effectively controlled vibrations in such a rotating machine model. (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

Design of Contactlessly Powered and Piezoelectrically Actuated Tools for Non-Resonant Vibration Assisted Milling

Directory of Open Access Journals (Sweden)

Martin Silge

2018-04-01

Full Text Available This contribution presents a novel design approach for vibration assisted machining (VAM. A lot of research has already been done regarding the influence of superimposed vibrations during a milling process, but there is almost no information about how to design a VAM tool where the tool is actually rotating. The proposed system consists of a piezoelectric actuator for vibration excitation, an inductive contactless energy transfer system and an electronic circuit for powering the actuated tool. The main benefit of transferring the required power without mechanical contact is that the maximum spindle speed is no longer restricted by friction of slip rings. A detailed model is shown that enables for preliminary estimation of the system’s response to different excitation signals. Experimental data are provided to validate the model. Finally, some parts are shown that have been manufactured using the contactlessly actuated milling tool.

Blade dynamic stress analysis of rotating bladed disks

Directory of Open Access Journals (Sweden)

Kellner J.

2007-10-01

Full Text Available The paper deals with mathematical modelling of steady forced bladed disk vibrations and with dynamic stress calculation of the blades. The blades are considered as 1D kontinuum elastic coupled with three-dimensional elastic disk centrally clamped into rotor rotating with constant angular speed. The steady forced vibrations are generated by the aerodynamic forces acting along the blade length. By using modal synthesis method the mathematical model of the rotating bladed disk is condensed to calculate steady vibrations. Dynamic stress analysis of the blades is based on calculation of the time dependent reduced stress in blade cross-sections by using Hubert-Misses-Hencky stress hypothesis. The presented method is applied to real turbomachinery rotor with blades connected on the top with shroud.

Fast Fourier transformation in vibration analysis of physically active systems

International Nuclear Information System (INIS)

Hafeez, T.; Amir, M.; Farooq, U.; Day, P.

2003-01-01

Vibration of all physical systems may be expressed as the summation of an infinite number of sine and cosine terms known as Fourier series. The basic vibration analysis tool used is the frequency 'spectrum' (a graph of vibration where the amplitude of vibration is plotted against frequency). When a particular rotating component begins to fail, its vibration tends to increase. Spectra graphs are powerful diagnostic tool for detecting components' degradation. Spectra obtained with accelerometers located at the various locations on the components and their analysis in practice from rotating machines enable early detecting of incipient failure. Consequence of unexpected failure can be catastrophic and costly. This study provides basis to relate defective component by its constituent frequencies and then to the known discrete frequency of its 'signature' or 'thumbprint' to predict and verify the sustained dynamic behavior of machine designs harmful effects of forced vibration. The spectra for gearbox of a vane with teeth damaged fault are presented here which signified the importance of FFT analysis as diagnostic tool. This may be helpful to predictive maintenance of the machinery. (author)

Unbalance influence on the rotating assembly dynamics of a hydro

Science.gov (United States)

Jurcu, M.; Pădureanu, I.; Campian, C. V.; Haţiegan, C.

2018-01-01

The dynamics of the rotating parts of a hydro is characterized by the dynamic interaction between the rotor, the stator and the working fluid in order to operate the hydro. The main factors influencing the dynamics of the rotating parts of a hydro are: rotor unbalance, unbalanced magnetic pull, shaft misalignment and hydraulic flow regime. Rotor unbalanced is one of the most common factors influencing the dynamic stability of the rotating parts of a hydro. The unbalanced is determined by: uneven distribution of rotating masses, displacement of parts in the rotor during rotation, inhomogeneity of rotor component materials, expansion of the rotor due to heating, and rising speed during the transient discharge of the load. The mechanical imbalance of a rotor can lead to important forces, responsible for the vibration of the machine, which ultimately leads to a shorter operating time. Even a low unbalance can lead, in the case of high speed machines, to major unbalance forces that cause significant damage to the equipment. The unbalance forces cause additional vibrations in the bearings as well as in the foundation plate. To avoid these vibrations, it is necessary in the first stage to balance the static rotor in the construction plant and then to a dynamic rotation balancing.

Calculation of Ground State Rotational Populations for Kinetic Gas Homonuclear Diatomic Molecules including Electron-Impact Excitation and Wall Collisions

International Nuclear Information System (INIS)

Farley, David R.

2010-01-01

A model has been developed to calculate the ground-state rotational populations of homonuclear diatomic molecules in kinetic gases, including the effects of electron-impact excitation, wall collisions, and gas feed rate. The equations are exact within the accuracy of the cross sections used and of the assumed equilibrating effect of wall collisions. It is found that the inflow of feed gas and equilibrating wall collisions can significantly affect the rotational distribution in competition with non-equilibrating electron-impact effects. The resulting steady-state rotational distributions are generally Boltzmann for N (ge) 3, with a rotational temperature between the wall and feed gas temperatures. The N = 0,1,2 rotational level populations depend sensitively on the relative rates of electron-impact excitation versus wall collision and gas feed rates.

Vibration vector monitoring of rotating machinery: A predictive/preventative maintenance technique

International Nuclear Information System (INIS)

Humes, B.R.

1990-01-01

Monitoring of overall vibration amplitudes to indicate machinery faults is a standard practice in most industries. The appearance of shaft cracks in machines retrofitted for extended life have prompted development of higher levels of machinery monitoring. Part 1 of this paper discusses vibration vector monitoring for machinery malfunction prediction and failure prevention. Machinery faults which can be diagnosed by this type of monitoring, such as rotor rubs, loose parts, shaft cracks, ..., are presented along with their most common characteristics. The newest, most effective methods of permanent machinery monitoring are presented and critiqued. An extensive case history is presented in Part 2 in which a potentially disastrous machinery fault was predicted using vibration vector monitoring and analysis. The addition of vector monitoring to the normal, overall vibration monitoring proved more effective in diagnosing the machinery fault and predicting impending failure

Model of daytime emissions of electronically-vibrationally excited products of O3 and O2 photolysis: application to ozone retrieval

Directory of Open Access Journals (Sweden)

V. A. Yankovsky

2006-11-01

Full Text Available The traditional kinetics of electronically excited products of O3 and O2 photolysis is supplemented with the processes of the energy transfer between electronically-vibrationally excited levels O2(a1Δg, v and O2(b1Σ+g, v, excited atomic oxygen O(1D, and the O2 molecules in the ground electronic state O2(X3Σg−, v. In contrast to the previous models of kinetics of O2(a1Δg and O2 (b1Σ+g, our model takes into consideration the following basic facts: first, photolysis of O3 and O2 and the processes of energy exchange between the metastable products of photolysis involve generation of oxygen molecules on highly excited vibrational levels in all considered electronic states – b1Σ+g, a1Δg and X3Σg−; second, the absorption of solar radiation not only leads to populating the electronic states on vibrational levels with vibrational quantum number v equal to 0 – O2(b1Σ+g, v=0 (at 762 nm and O2(a1Δg, v=0 (at 1.27 µm, but also leads to populating the excited electronic–vibrational states O2(b1Σ+g, v=1 and O2(b1Σ+g, v=2 (at 689 nm and 629 nm. The proposed model allows one to calculate not only the vertical profiles of the O2(a1Δg, v=0 and O2(b1Σg, v=0 concentrations, but also the profiles of [O2(a1Δg, v≤5], [O2 (b1Σ+g , v=1, 2] and O2(X3Σg−, v=1–35. In the altitude range 60–125 km, consideration of the electronic-vibrational kinetics significantly changes the calculated concentrations of the metastable oxygen molecules and reduces the discrepancy between the altitude profiles of ozone concentrations retrieved from the 762-nm and 1.27-µm emissions measured simultaneously.

Optimal design of a magneto-rheological brake absorber for torsional vibration control

International Nuclear Information System (INIS)

Nguyen, Q H; Choi, S B

2012-01-01

This research presents an optimal design of a magneto-rheological (MR) brake absorber for torsional vibration control of a rotating shaft. Firstly, the configuration of an MR brake absorber for torsional vibration control of a rotating shaft system is proposed. Then, the braking torque of the MR brake is derived based on the Bingham plastic model of the MR fluid. By assuming that the behaviour of the MR brake absorber is similar to that of a dry friction torsional damper, the optimal braking torque to control the torsional vibration is determined and validated by simulation. The optimal design problem of the MR brake absorber is then developed and a procedure to solve the optimal problem is proposed. Based on the proposed optimal design procedure, the optimal design of a specific rotating shaft system is performed. Vibration control performance of the shaft system employing the optimized MR brake absorber is then investigated through simulation and discussion on the results is given. (paper)

Optimal design of a magneto-rheological brake absorber for torsional vibration control

Science.gov (United States)

Nguyen, Q. H.; Choi, S. B.

2012-02-01

This research presents an optimal design of a magneto-rheological (MR) brake absorber for torsional vibration control of a rotating shaft. Firstly, the configuration of an MR brake absorber for torsional vibration control of a rotating shaft system is proposed. Then, the braking torque of the MR brake is derived based on the Bingham plastic model of the MR fluid. By assuming that the behaviour of the MR brake absorber is similar to that of a dry friction torsional damper, the optimal braking torque to control the torsional vibration is determined and validated by simulation. The optimal design problem of the MR brake absorber is then developed and a procedure to solve the optimal problem is proposed. Based on the proposed optimal design procedure, the optimal design of a specific rotating shaft system is performed. Vibration control performance of the shaft system employing the optimized MR brake absorber is then investigated through simulation and discussion on the results is given.

Flow induced vibrations in gas tube assembly of centrifuge

International Nuclear Information System (INIS)

Alam, M.; Atta, M.A.; Mirza, J.A.; Khan, A.Q.

1986-01-01

A centrifuge essentially consists of a rotor rotating at very high speed. Gas tube assembly, located at the center of the rotor, is used to introduce feed gas into the rotor and remove product and waste streams from it. The gas tube assembly is thus a static component, the product and waste scoops of which are lying in the high pressure region of a fluid rotating at very high speed. This can cause flow induced vibrations in the gas tube assembly. Such vibrations affect not only the mechanical stability of the gas tube assembly but may also reduce the separative power of the centrifuge. In a cascade, if some of the centrifuges have gas tube vibration, then cascade performance will be affected. A theoretical analysis of the effect of waste tube vibrations on product and waste flow rates and pressures in the centrifuge is presented. A simple stage consisting of two centrifuges, in which one has tube vibration, is considered for this purpose. The results are compared with experiment. It is shown that waste tube vibration generates oscillations in waste and product flow rates that are observable outside the centrifuge. (author)

Developments In Electronic Speckle Pattern Interferometry For Automotive Vibration Analysis.

Science.gov (United States)

Davies, Jeremy C.; Buckberry, Clive H.; Jones, Julian D. C.; Pannell, Chris N.

1989-01-01

The incorporation of monomode fibre optics into an argon ion powered Electronic Speckle Pattern Interferometer (ESPI) is reported. The system, consisting of an optics assembly linked to the laser and a CCD camera transceiver, flexibly connected by 40m of monomode fibre optic cable to the optics, has been used to analyse the modal behaviour of structures up to 5m X 3m X 2m in size. Phase modulation of the reference beam in order to operate in a heterodyne mode has been implemented using a piezo-electric crystal operating on the monomode fibre. A new mode of operation - sequential time-average subtraction - and the results of a new processing algorithm are also reported. Their implementation enables speckle free, time-average vibration maps to be generated in real-time on large, unstable structures. Example results for a four cylinder power unit, a vehicle body shell component and an engine oil pan are included. In all cases the analysis was conducted in a general workshop environment without the need for vibration isolation facilities.

Quantum switching of π-electron rotations in a nonplanar chiral molecule by using linearly polarized UV laser pulses.

Science.gov (United States)

Mineo, Hirobumi; Yamaki, Masahiro; Teranishi, Yoshiaki; Hayashi, Michitoshi; Lin, Sheng Hsien; Fujimura, Yuichi

2012-09-05

Nonplanar chiral aromatic molecules are candidates for use as building blocks of multidimensional switching devices because the π electrons can generate ring currents with a variety of directions. We employed (P)-2,2'-biphenol because four patterns of π-electron rotations along the two phenol rings are possible and theoretically determine how quantum switching of the π-electron rotations can be realized. We found that each rotational pattern can be driven by a coherent excitation of two electronic states under two conditions: one is the symmetry of the electronic states and the other is their relative phase. On the basis of the results of quantum dynamics simulations, we propose a quantum control method for sequential switching among the four rotational patterns that can be performed by using ultrashort overlapped pump and dump pulses with properly selected relative phases and photon polarization directions. The results serve as a theoretical basis for the design of confined ultrafast switching of ring currents of nonplanar molecules and further current-induced magnetic fluxes of more sophisticated systems.

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

Trapped Electron Mode Turbulence Driven Intrinsic Rotation in Tokamak Plasmas

International Nuclear Information System (INIS)

Wang, W.X.; Hahm, T.S.; Ethier, S.; Zakharov, L.E.

2011-01-01

Recent progress from global gyrokinetic simulations in understanding the origin of intrinsic rotation in toroidal plasmas is reported with emphasis on electron thermal transport dominated regimes. The turbulence driven intrinsic torque associated with nonlinear residual stress generation by the fluctuation intensity and the intensity gradient in the presence of zonal flow shear induced asymmetry in the parallel wavenumber spectrum is shown to scale close to linearly with plasma gradients and the inverse of the plasma current. These results qualitatively reproduce empirical scalings of intrinsic rotation observed in various experiments. The origin of current scaling is found to be due to enhanced kll symmetry breaking induced by the increased radial variation of the safety factor as the current decreases. The physics origin for the linear dependence of intrinsic torque on pressure gradient is that both turbulence intensity and the zonal flow shear, which are two key ingredients for driving residual stress, increase with the strength of turbulence drive, which is R0/LTe and R0/Lne for the trapped electron mode.

Lattice vibrations and barrier to hindered rotation in lithium tetradeuteroaluminate by 2H, 7Li and 27Al NMR

International Nuclear Information System (INIS)

Tarasov, V.P.; Kirakosyan, G.A.

1996-01-01

Temperature dependences of 2 H, 7 Li, 27 Al NMR line shape in LiAlD 4 lithium polycrystal tetradeuteroaluminate in the range of 103-420 K have been studied. The quadrupole bond constants and asymmetry parameters of electric field gradient tensor have been measured. The frequencies of lattice vibrations have been evaluated in the framework of the Buyer model. From temperature dependences of spin-lattice relaxation time and 2 H NMR line shape the activation energies of AlD 4 anion decelerated rotation, amounting to 74 and 62 k J/mol respectively, have been determined. 15 refs.; 5 figs.; 2 tabs

Determination of molecular parameters by electron collisions and laser techniques

International Nuclear Information System (INIS)

Colon, C.

1989-01-01

In this work a general procedure to study diatomic molecules in intermediate coupling scheme has been developed. This study allows to obtain expressions to calculate molecular line strengths and rotational transition intensities. These results are used in a numerical program to synthetize vibrational and rotational band spectra of any diatomic molecule. With this technique the experimental spectra of the first negative system of N 2 + and the fist positive system of N 2 are reproduced theoretically and it is possible to deduce its electronic transition moments values by comparison. Also the method has been applied to compare the synthetized bands with the experimental spectra of the B O u + -- x 1 Σ g + system of Au 2 and the A 2 Σ--- x 2 π system of OH. From these comparison band intensities and electronic moments can be deduced. The branching ratio method to measure the relative spectral response in the 1100-1560 A o =wavelength range of a vacuum uv monochromator has been used. Relative intensity of rotational lines with origine in a common upper vibrational-rotational level of Warner and Lyman systems of H 2 , have been measured. Also in this work, the deexcitation of the B 3 π + (0 + u ), v'=14 level of I 2 after pulsed laser excitation has been studied. The quenching cross sections by collisions with I 2 , H 2 , CO 2 and CH 4 have been determin-ed. (Author)

Simultaneous measurement of line electron density and Faraday rotation in the ISX-B tokamak

International Nuclear Information System (INIS)

Hutchinson, D.P.; Ma, C.H.; Staats, P.A.; Vander Sluis, K.L.

1981-01-01

A new diagnostic system utilizing a submillimetre-wave, phase-modulated polarimeter/interferometer has been used to simultaneously measure the time evolution of the line-averaged electron density and poloidal field-induced Faraday rotation in the ISX-B tokamak. The measurements, performed along four chords of the plasma column, have been correlated with poloidal field changes associated with a ramp in the Ohmic-heating current and by neutral-beam injection. These are the first simultaneous measurements of line electron density and Faraday rotation to be made along a chord of submillimetre laser beam in a tokamak plasma. (author)

Tube-AVB gap measurements using an eddy current rotating probe

International Nuclear Information System (INIS)

Badson, F.; Chiron, D.; Trumpff, B.

1988-01-01

The wears of tubes due to flow induced vibrations have been observed after a few years of operating PWR steam generators (SG). The vibration and wear are intimately related to the gap between tubes and anti-vibration bars (AVB's) located in the bundle. The authors report the development of an eddy current (EC) method for the measurement of this gap. The method is based on using an EC probe rotating in the tube. Since for each measurement zone the tube is interacting with two AVB's the use of a rotating EC probe is necessary to perform separate and accurate measurements of each tube-AVB gap

Influence of Electron Molecule Resonant Vibrational Collisions over the Symmetric Mode and Direct Excitation-Dissociation Cross Sections of CO2 on the Electron Energy Distribution Function and Dissociation Mechanisms in Cold Pure CO2 Plasmas.

Science.gov (United States)

Pietanza, L D; Colonna, G; Laporta, V; Celiberto, R; D'Ammando, G; Laricchiuta, A; Capitelli, M

2016-05-05

A new set of electron-vibrational (e-V) processes linking the first 10 vibrational levels of the symmetric mode of CO2 is derived by using a decoupled vibrational model and inserted in the Boltzmann equation for the electron energy distribution function (eedf). The new eedf and dissociation rates are in satisfactory agreement with the corresponding ones obtained by using the e-V cross sections reported in the database of Hake and Phelps (H-P). Large differences are, on the contrary, found when the experimental dissociation cross sections of Cosby and Helm are inserted in the Boltzman equation. Comparison of the corresponding rates with those obtained by using the low-energy threshold energy, reported in the H-P database, shows differences up to orders of magnitude, which decrease with the increasing of the reduced electric field. In all cases, we show the importance of superelastic vibrational collisions in affecting eedf and dissociation rates either in the direct electron impact mechanism or in the pure vibrational mechanism.

Translational and rotational dynamic analysis of a superconducting levitation system

International Nuclear Information System (INIS)

Cansiz, A; Hull, J R; Gundogdu, Oe

2005-01-01

The rotational dynamics of a disc-shaped permanent magnet rotor levitated over a high temperature superconductor was studied experimentally and theoretically. The interaction between the rotor magnet and the superconductor was modelled by assuming the magnet to be a magnetic dipole and the superconductor a diamagnet. In the magnetomechanical analysis of the superconductor part, the frozen image concept was combined with the diamagnetic image, and the damping in the system was neglected. The interaction potential of the system is the combination of magnetic and gravitational potentials. From the dynamical analysis the equations of motion of the permanent magnet were stated as a function of lateral, vertical, tilt, precision and rotating angles. The vibration behaviour and correlation of the vibration of one direction with that of another were determined with a numerical calculation based on the Runge-Kutta method. The various vibrational frequencies identified were vertical, radial, tilt, precession and rotation. The tests performed for experimental verifications were translational and rotational. The permanent magnet was 'spun up' under vacuum conditions to analyse the dynamics of the free 'spin down' behaviour of the permanent magnet

Vibration condition monitoring of planetary gearbox under varying external load

Energy Technology Data Exchange (ETDEWEB)

Bartelmus, W.; Zimroz, R. [Wroclaw University of Technology, Wroclaw (Poland)

2009-01-15

The paper shows that for condition monitoring of planetary gearboxes it is important to identify the external varying load condition. In the paper, systematic consideration has been taken of the influence of many factors on the vibration signals generated by a system in which a planetary gearbox is included. These considerations give the basis for vibration signal interpretation, development of the means of condition monitoring, and for the scenario of the degradation of the planetary gearbox. Real measured vibration signals obtained in the industrial environment are processed. The signals are recorded during normal operation of the diagnosed objects, namely planetary gearboxes, which are a part of the driving system used in a bucket wheel excavator, used in lignite mines. It has been found that the most important factor of the proper planetary gearbox condition is connected with perturbation of arm rotation, where an arm rotation gives rise to a specific vibration signal whose properties are depicted by a short-time Fourier transform (STFT) and Wigner-Ville distribution presented as a time-frequency map. The paper gives evidence that there are two dominant low-frequency causes that influence vibration signal modulation, i.e. the varying load, which comes from the nature of the bucket wheel digging process, and the arm/carrier rotation. These two causes determine the condition of the planetary gearboxes considered.

Evaluation of climatic vibration testing on plastic waterproof enclosure for electronic equipment using ANSYS[reg] workbench

International Nuclear Information System (INIS)

Aw, K.C.; Huang, W.D.J.; De Silva, M.W.R.P.

2007-01-01

Designing and testing of waterproof enclosure for electronic equipment involves significant amount of time and resources. This paper concentrates on electronic equipment used for maritime application. Typical waterproof test perform is based on the IEC 60529 standards and is insufficient to determine its reliability. Since, these enclosures were subjected to environmental stress such as heat and vibration and there is a need to understand how these affect the waterproof performance. Simulation using ANSYS workbench software was performed to comprehend the effect of various parameters of accelerated testing performed on these waterproof enclosures. Experiments were performed to examine the correlation with simulation results. The results confirmed that accelerated testing with random vibration at cold temperature causes greatest stress and causes degradation to adhesive bonds and hence affect the waterproof performance

First-principles calculations of the electronic, vibrational, and elastic properties of the magnetic laminate Mn2GaC

International Nuclear Information System (INIS)

Thore, A.; Dahlqvist, M.; Alling, B.; Rosén, J.

2014-01-01

In this paper, we report the by first-principles predicted properties of the recently discovered magnetic MAX phase Mn 2 GaC. The electronic band structure and vibrational dispersion relation, as well as the electronic and vibrational density of states, have been calculated. The band structure close to the Fermi level indicates anisotropy with respect to electrical conductivity, while the distribution of the electronic and vibrational states for both Mn and Ga depend on the chosen relative orientation of the Mn spins across the Ga sheets in the Mn–Ga–Mn trilayers. In addition, the elastic properties have been calculated, and from the five elastic constants, the Voigt bulk modulus is determined to be 157 GPa, the Voigt shear modulus 93 GPa, and the Young's modulus 233 GPa. Furthermore, Mn 2 GaC is found relatively elastically isotropic, with a compression anisotropy factor of 0.97, and shear anisotropy factors of 0.9 and 1, respectively. The Poisson's ratio is 0.25. Evaluated elastic properties are compared to theoretical and experimental results for M 2 AC phases where M = Ti, V, Cr, Zr, Nb, Ta, and A = Al, S, Ge, In, Sn.

Rotational Coherence Encoded in an “Air-Laser” Spectrum of Nitrogen Molecular Ions in an Intense Laser Field

Directory of Open Access Journals (Sweden)

Haisu Zhang

2013-10-01

Full Text Available We investigate lasing action in aligned nitrogen molecular ions (N_{2}^{+} produced in an intense laser field. We find that, besides the population inversion between the B^{2}Σ_{u}^{+}-X^{2}Σ_{g}^{+} states, which is responsible for the observed simulated amplification of a seed pulse, a rotational wave packet in the ground vibrational state (v=0 of the excited electronic B^{2}Σ_{u}^{+} state has been created in N_{2}^{+}. The rotational coherence can faithfully encode its characteristics into the amplified seed pulses, enabling reconstruction of rotational wave packets of molecules in a single-shot detection manner from the frequency-resolved laser spectrum. Our results suggest that the air laser can potentially provide a promising tool for remote characterization of coherent molecular rotational wave packets.

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.

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

Directional Wigner-Ville distribution and its application for rotating-machinery condition monitoring

International Nuclear Information System (INIS)

Kim, Dong Wan; Ha, Jae HOng; Shin, Hae Gon; Lee, Yoon Hee; Kim, Young Baik

1996-01-01

Vibration analysis is one of the most powerful tools available for the detection and isolation of incipient faults in mechanical systems. The methods of vibration analysis in use today and under continuous study are broad band vibration monitoring, time domain analysis, and frequency domain analysis. In recent years, great interest has been generated concerning the use of time-frequency representation and its application for a machinery diagnostics and condition monitoring system. The objective of the research described in this paper was to develop a new diagnostic tool for the rotating machinery. This paper introduces a new time-frequency representation, Directional Wigner-Ville Distribution, which analyses the time-frequency structure of the rotating machinery vibration

Aircraft gas turbine engine vibration diagnostics

OpenAIRE

Stanislav Fábry; Marek Češkovič

2017-01-01

In the Czech and Slovak aviation are in service elderly aircrafts, usually produced in former Soviet Union. Their power units can be operated in more efficient way, in case of using additional diagnostic methods that allow evaluating their health. Vibration diagnostics is one of the methods indicating changes of rotational machine dynamics. Ground tests of aircraft gas turbine engines allow vibration recording and analysis. Results contribute to airworthiness evaluation and making corrections...

Basic tests of a rotation seismograph; Kaiten jishinkei no kaihatsu

Energy Technology Data Exchange (ETDEWEB)

Matsubayashi, H; Kawamura, S; Watanabe, F; Hirai, Y; Kasahara, K [Nippon Geophysical Prospecting Co. Ltd., Tokyo (Japan)

1996-05-01

For the purpose of developing a rotational seismograph capable of measuring the rotational component of seismic waves, vibratory gyroscopes were installed in the ground for the measurement of vibration of the ground, and the measurements were compared with the values obtained from tests using conventional velocity type seismographs. In the experiment, the plank was hammered on the east side and west side. The seismographs were arranged in two ways: one wherein they were installed at 7 spots at intervals of 1m toward the south beginning at a position 3m south of the vibration source with their rotation axes oriented vertical, with velocity type seismographs provided at the same spots; and the other wherein three rotational seismographs were installed 3m south of the vibration source with their rotation axes respectively oriented vertical, in the direction of N-S, and in the direction of E-W, with a velocity type seismograph provided at the same spot. It was found as the result that the rotational seismograph has a flat band on the lower frequency side and that it may be applied to elastic wave observation across a wide band. Accordingly, it is expected that it will be applied to exploration that uses the SH wave, to structural assessment that uses the Love wave, and to collecting knowledge about the features of natural earthquakes. 2 refs., 8 figs.

Neurocognitive responses to a single session of static squats with whole body vibration.

Science.gov (United States)

Amonette, William E; Boyle, Mandy; Psarakis, Maria B; Barker, Jennifer; Dupler, Terry L; Ott, Summer D

2015-01-01

The purpose of this study was to determine if the head accelerations using a common whole body vibration (WBV) exercise protocol acutely reduced neurocognition in healthy subjects. Second, we investigated differential responses to WBV plates with 2 different delivery mechanisms: vertical and rotational vibrations. Twelve healthy subjects (N = 12) volunteered and completed a baseline (BASE) neurocognitive assessment: the Immediate Postconcussion Assessment and Cognitive Test (ImPACT). Subjects then participated in 3 randomized exercise sessions separated by no more than 2 weeks. The exercise sessions consisted of five 2-minute sets of static hip-width stance squats, with the knees positioned at a 45° angle of flexion. The squats were performed with no vibration (control [CON]), with a vertically vibrating plate (vertical vibration [VV]), and with a rotational vibrating plate (rotational vibration [RV]) set to 30 Hz with 4 mm of peak-to-peak displacement. The ImPACT assessments were completed immediately after each exercise session and the composite score for 5 cognitive domains was analyzed: verbal memory, visual memory, visual motor speed, reaction time, and impulse control. Verbal memory scores were unaffected by exercise with or without vibration (p = 0.40). Likewise, visual memory was not different (p = 0.14) after CON, VV, or RV. Significant differences were detected for visual motor speed (p = 0.006); VV was elevated compared with BASE (p = 0.01). There were no significant differences (p = 0.26) in reaction time or impulse control (p = 0.16) after exercise with or without vibration. In healthy individuals, 10 minutes of 30 Hz, 4-mm peak-to-peak displacement vibration exposure with a 45° angle of knee flexion did not negatively affect neurocognition.

Vibrational dynamics of adsorbed molecules under conditions of photodesorption: Pump-probe SFG spectra of CO/Pt(111)

Science.gov (United States)

Fournier, Frédéric; Zheng, Wanquan; Carrez, Serge; Dubost, Henri; Bourguignon, Bernard

2004-09-01

Interaction of CO adsorbed on Pt(111) with electrons and phonons is studied experimentally by means of a pump-probe experiment where CO is probed by IR+visible sum frequency generation under a pump laser intensity that allows photodesorption. Vibrational spectra of CO internal stretch are obtained as a function of pump-probe delay. A two-temperature and anharmonic coupling model is used to extract from the spectra the real time variations of CO peak frequency and dephasing time. The main conclusions are the following: (i) The CO stretch is perturbed by two low-frequency modes, assigned to frustrated rotation and frustrated translation. (ii) The frustrated rotation is directly coupled to electrons photoexcited in Pt(111) by the pump laser. (iii) There is no evidence of Pt-CO stretch excitation in the spectra. The implications for the photodesorption dynamics are discussed.

How do nuclei really vibrate or rotate

International Nuclear Information System (INIS)

Andresen, H.G.; Kunz, J.; Mosel, U.; Mueller, M.; Schuh, A.; Wust, U.

1983-01-01

By means of the adiabatic cranking model the properties of the current and velocity fields of nuclear quadrupole vibrations for even-even nuclei in the rare-earth region are investigated. BCS correlated wave functions based on the Nilsson single particle Hamiltonian have been used. The current fields are analyzed in terms of vector spherical harmonics. The realistic microscopic currents show a vortex structure not present in the classical irrotational flow. The microscopic origin of the vortex structure is investigated

Damping of edgewise vibration in wind turbine blades by means of circular liquid dampers

DEFF Research Database (Denmark)

Basu, Biswajit; Zhang, Zili; Nielsen, Søren R.K.

2016-01-01

centrifugal acceleration. This centrifugal acceleration makes the use of this kind of oscillatory liquid damper feasible with a small mass ratio to effectively suppress edgewise vibrations. A reduced 2-DOF non-linear model is used for tuning the CLCD attached to a rotating wind turbine blade, ignoring......This paper proposes a new type of passive vibration control damper for controlling edgewise vibrations of wind turbine blades. The damper is a variant of the liquid column damper and is termed as a circular liquid column damper (CLCD). Rotating wind turbine blades generally experience a large...... the coupling between the blade and the tower. The performance of the damper is evaluated under various rotational speeds of the rotor. A special case in which the rotational speed is so small that the gravity dominates the motion of the liquid is also investigated. Further, the legitimacy of the decoupled...

Model reduction and analysis of a vibrating beam microgyroscope

KAUST Repository

Ghommem, Mehdi; Nayfeh, Ali Hasan; Choura, Slim A.

2012-01-01

The present work is concerned with the nonlinear dynamic analysis of a vibrating beam microgyroscope composed of a rotating cantilever beam with a tip mass at its end. The rigid mass is coupled to two orthogonal electrodes in the drive and sense directions, which are attached to the rotating base. The microbeam is driven by an AC voltage in the drive direction, which induces vibrations in the orthogonal sense direction due to rotation about the microbeam axis. The electrode placed in the sense direction is used to measure the induced motions and extract the underlying angular speed. A reduced-order model of the gyroscope is developed using the method of multiple scales and used to examine its dynamic behavior. © The Author(s) 2012 Reprints and permissions: sagepub.co.uk/journalsPermissions.nav.

Model reduction and analysis of a vibrating beam microgyroscope

KAUST Repository

Ghommem, Mehdi

2012-05-08

The present work is concerned with the nonlinear dynamic analysis of a vibrating beam microgyroscope composed of a rotating cantilever beam with a tip mass at its end. The rigid mass is coupled to two orthogonal electrodes in the drive and sense directions, which are attached to the rotating base. The microbeam is driven by an AC voltage in the drive direction, which induces vibrations in the orthogonal sense direction due to rotation about the microbeam axis. The electrode placed in the sense direction is used to measure the induced motions and extract the underlying angular speed. A reduced-order model of the gyroscope is developed using the method of multiple scales and used to examine its dynamic behavior. © The Author(s) 2012 Reprints and permissions: sagepub.co.uk/journalsPermissions.nav.

Quantum coherent π-electron rotations in a non-planar chiral molecule induced by using a linearly polarized UV laser pulse

Science.gov (United States)

Mineo, Hirobumi; Fujimura, Yuichi

2015-06-01

We propose an ultrafast quantum switching method of π-electron rotations, which are switched among four rotational patterns in a nonplanar chiral aromatic molecule (P)-2,2’- biphenol and perform the sequential switching among four rotational patterns which are performed by the overlapped pump-dump laser pulses. Coherent π-electron dynamics are generated by applying the linearly polarized UV pulse laser to create a pair of coherent quasidegenerated excited states. We also plot the time-dependent π-electron ring current, and discussed ring current transfer between two aromatic rings.

Structural study of disordered SiC nanowires by three-dimensional rotation electron diffraction

International Nuclear Information System (INIS)

Li, Duan; Guo, Peng; Wan, Wei; Zou, Ji; Shen, Zhijian; Guzi de Moraes, Elisângela; Colombo, Paolo

2014-01-01

The structure of disordered SiC nanowires was studied by using the three-dimensional rotation electron diffraction (RED) technique. The streaks shown in the RED images indicated the stacking faults of the nanowire. High-resolution transmission electron microscopy imaging was employed to support the results from the RED data. It suggested that a 2H polytype is most possible for the nanowires. (paper)

A thermal analysis for the use of cooled rotating drums in electron processing

International Nuclear Information System (INIS)

Fletcher, P.M.; Williams, K.E.

1988-01-01

The thermal response of rotating drums under an electron beam has been analyzed using a finite difference thermal analysis computer code. Rotating drums are used to convey thin webs or films under the electron beams while controlling their temperature and, in some cases, in dissipating the exotherm involved in curing coatings applied to them. Each portion of the drum surface receives one heat pulse per rotation as it passes under the beam. The drum's thermal behavior shows both an immediate response to each heat pulse and a more gradual response to the average heat acquired over many pulses. After many rotations a steady state is reached where there is only an immediate response to each heat pulse but the gradual heating has tapered off. Nevertheless the steady state temperatures are strongly dependent on the gradual heating that led to them. Slow and fast speeds of rotation are compared showing the effects of both gradual and immediate heating components. The thermal analysis is extended to include the coolant fluid inside the drum shell and the web on the drum surface. The coolant's incoming temperature, volumetric flow rate, flow speed through the coolant channels and film coefficient between the outer shell and fluid are all included in the analysis. The small air gap between the web and drum, the convective cooling of the web to the ambient air, and the exothermic reaction of any chemical reactions on the web are included. The stresses produced in the drum shell (i.e. between the outer surface and the temperature-controlling fluid within the drum) are analyzed in order to define safe e-beam powers and rotating speeds. The analysis provides the basis for many design decisions and can give an end-user a full temperature history for his product for any set of conditions. (author)

Translational and rotational dynamic analysis of a superconducting levitation system

Energy Technology Data Exchange (ETDEWEB)

Cansiz, A [Electric-Electronic Engineering Department, Ataturk University, Erzurum (Turkey); Hull, J R [Energy Technology Division, Argonne National Laboratory, Argonne, IL (United States); Gundogdu, Oe [Mechanical Engineering Department, Ataturk University, Erzurum (Turkey)

2005-07-01

The rotational dynamics of a disc-shaped permanent magnet rotor levitated over a high temperature superconductor was studied experimentally and theoretically. The interaction between the rotor magnet and the superconductor was modelled by assuming the magnet to be a magnetic dipole and the superconductor a diamagnet. In the magnetomechanical analysis of the superconductor part, the frozen image concept was combined with the diamagnetic image, and the damping in the system was neglected. The interaction potential of the system is the combination of magnetic and gravitational potentials. From the dynamical analysis the equations of motion of the permanent magnet were stated as a function of lateral, vertical, tilt, precision and rotating angles. The vibration behaviour and correlation of the vibration of one direction with that of another were determined with a numerical calculation based on the Runge-Kutta method. The various vibrational frequencies identified were vertical, radial, tilt, precession and rotation. The tests performed for experimental verifications were translational and rotational. The permanent magnet was 'spun up' under vacuum conditions to analyse the dynamics of the free 'spin down' behaviour of the permanent magnet.

Influence analysis of electronically and vibrationally excited particles on the ignition of methane and hydrogen under the conditions of a gas turbine engine

Science.gov (United States)

Deminskii, M. A.; Konina, K. M.; Potapkin, B. V.

2018-03-01

The vibronic and electronic energy relaxation phenomena in the specific conditions of a gas turbine engine were investigated in this paper. The plasma-chemical mechanism has been augmented with the results of recent investigations of the processes that involve electronically and vibrationally excited species. The updated mechanism was employed for the computer simulation of plasma-assisted combustion of hydrogen-air and methane-air mixtures under high pressure and in the range of initial temperatures T  =  500-900 K. The updated mechanism was verified using the experimental data. The influence of electronically excited nitrogen on the ignition delay time was analyzed. The rate coefficient of the vibration-vibration exchange between N2 and HO2 was calculated as well as the rate coefficient of HO2 decomposition.

Origin of enhanced vibrational excitation in N2 by electron impact in the 15--35 eV region

International Nuclear Information System (INIS)

Dehmer, J.L.; Siegel, J.; Welch, J.; Dill, D.

1980-01-01

The authors calculate the integrated vibrational excitation cross section for e-N 2 scattering in the interval 0 --50 eV using the continuum multiple-scattering model with the Hara exchange approximation. Resonant enhancement is observed at 2.4 eV owing to the well-known π/sub g/ shape resonance. In addition, however, enhanced vibrational excitation is found centered at approx.26 eV, arising from a broad shape resonance in the sigma/sub u/ channel. The authors propose this one-electron feature as the main source of the enhanced vibrational excitation observed by Pavlovic et al. in the 15--35 eV region

Modelling of electronic and vibrational properties of carbon nanostructures

Science.gov (United States)

Margine, Elena Roxana

The main goals of this dissertation work are the analysis and prediction of the properties of nanoscale carbon materials which hold great potential for nanotechnological applications such as strong conductive composites, field-effect transistors, diodes, rechargeable batteries, etc. Some of these exciting applications are already being actively developed, however their design via trial-and-error experimentation is often difficult and expensive. State-of-the-art simulation methods can be used as a powerful tool to streamline the path to practical implementations. In this thesis I use ab initio quantum-mechanical calculations to explore the response of nanoscale carbon materials to doping. A brief overview of the theoretical methods and of some basic concepts on carbon nanotubes are given in the first two chapters. In Chapter 3 we study the effect of doping in double-walled carbon nanotubes. These systems can be considered as nanoscale capacitors since they have two conducting (or semi-conducting) shells. The experimental work of our collaborators demonstrated for the first time that such a capacitor can be realized by the adsorption of bromine anions at the surface of the outer tube. Our theoretical analysis of the experimental results revealed that this quantum system, surprisingly, behaves exactly as the classical Faraday cage: the electric charge always resides on the outside surface of the conductor, even when the pristine tubes are not metallic. In Chapter 4 I present our findings on the phonon frequencies' response to electron doping in single-walled carbon nanotubes. It is well established that when graphite is doped with electrons, carbon-carbon bonds lengthen and all vibrational frequencies soften. However, in semiconducting carbon nanotubes, the frequency of one mode increases at low levels of alkali doping. Having carefully modelled the process with ab initio methods we conclude that the unusual behavior of the vibrational mode depends on which electronic

Vibration analysis of a rotating functionally graded tapered microbeam based on the modified couple stress theory by DQEM

Science.gov (United States)

Ghadiri, Majid; Shafiei, Navvab; Alireza Mousavi, S.

2016-09-01

Due to having difficulty in solving governing nonlinear differential equations of a non-uniform microbeam, a few numbers of authors have studied such fields. In the present study, for the first time, the size-dependent vibration behavior of a rotating functionally graded (FG) tapered microbeam based on the modified couple stress theory is investigated using differential quadrature element method (DQEM). It is assumed that physical and mechanical properties of the FG microbeam are varying along the thickness that will be defined as a power law equation. The governing equations are determined using Hamilton's principle, and DQEM is presented to obtain the results for cantilever and propped cantilever boundary conditions. The accuracy and validity of the results are shown in several numerical examples. In order to display the influence of size on the first two natural frequencies and consequently changing of some important microbeam parameters such as material length scale, rate of cross section, angular velocity and gradient index of the FG material, several diagrams and tables are represented. The results of this article can be used in designing and optimizing elastic and rotary-type micro-electro-mechanical systems like micro-motors and micro-robots including rotating parts.

The electronic spectra of FeH and TeO2

International Nuclear Information System (INIS)

Hullah, D.F.

1999-01-01

jet. Vibrational structure of an electronic transition was recorded and analysed yielding the vibrational frequencies of symmetric stretching and bending vibrations in upper and lower states. Six of the vibrational bands were re-recorded at rotational resolution using a frequency doubled Ti:Sapphire Ring Laser. The bands show evidence of tellurium isotope splitting which is barely resolved in all but the (0,2,0)-(0,0,0) band. Despite considerable efforts in the simulation of the rotationally resolved vibrational bands for this as yet unassigned electronic transition, the rotational structure remains unassigned. (author)

Simulation of Vibrations in Real Time Plane Milling with Spindle Speed Correction

Directory of Open Access Journals (Sweden)

I. I. Ivanov

2017-01-01

Full Text Available In milling the hard-to-machine materials vibrations (chatter often arise from the high cutting forces if a technological system is insufficiently rigid.The main way to suppress these vibrations is to increase a stiffness of the mounting system of the tool and the work-piece to be machined. However, sometimes this method doesn’t lead to desirable result because of high values of intrinsic pliability of the tool and the work-piece. Currently, there are more complicated methods to ensure milling process quality. Among them there are three main groups:mathematical simulation of milling process dynamics and computation of processing parameters which provide high quality of machined surface, low level of vibrations and static deflections of a tool and a work-piece;introduction of the active vibration suppression devices into machine tool design; such devices include a vibration sensor, a feedback circuit, and an actuator which induces kinematic or force action on the oscillatory system;control of processing parameters, mainly of rotation frequency for minimizing the amplitudes of vibrations.The paper studies one of the 3rd group methods. There is a suggestion to process a signal of vibrational accelerations in real time and detect a chatter onset. If the chatter has been detected its frequency is to be identified, and the new value of rotation speed is set:where Ω – rotation frequency, rot/s; p – the tool eigenfrequency value identified during processing, Hz; z – mill tooth number; i – positive integer number; ε<1 – small positive parameter. In the current research it is assumed that ε = 0,2.The formula has been chosen because at the rotation frequency axis where tooth pass frequency is slightly less than the eigenfrequency divided by the integer value there are stable zones of dynamics in the milling process.The study shows a developed model of the plane milling dynamics. It includes a dynamic model of the tool, a model of cutting

Record number (11 000) of interference fringes obtained by a 1 MV field-emission electron microscope

International Nuclear Information System (INIS)

Akashi, Tetsuya; Harada, Ken; Matsuda, Tsuyoshi; Kasai, Hiroto; Tonomura, Akira; Furutsu, Tadao; Moriya, Noboru; Yoshida, Takaho; Kawasaki, Takeshi; Kitazawa, Koichi; Koinuma, Hideomi

2002-01-01

An electron biprism for a 1 million-volt field-emission electron microscope was developed. This biprism is controlled similarly as a specimen holder so that it can be driven and rotated precisely and is tough against mechanical vibration and stray magnetic field. We recorded the maximum number of interference fringes by using this biprism in order to confirm the overall performance as a holography electron microscope, and obtained a world record of 11,000 interference fringes

Experimental study on nonlinear vibrating of aluminum foam using electronic speckle pattern interferometry

Science.gov (United States)

Yang, Fujun; Ma, Yinhang; Tao, Nan; He, Xiaoyuan

2017-06-01

Due to its multi properties, including excellent stiffness-to-weight and strength-to-weight ratios, closed-cell aluminum and its alloy foams become candidate materials for use in many high-technology industries, such as the automotive and aerospace industries. For the efficient use of closed-cell foams in structural applications, it is necessary and important to detailly understand their mechanical characteristics. In this paper, the nonlinear vibration responses of the cantilever beams of closed-cell aluminum foams were investigated by use of electronic speckle pattern interferometry (ESPI). The nonlinear resonant mode shapes of testing specimens under harmonic excitation were measured. It is first time to obtain from the experimental results that there exist super-harmonic responses when the cantilever beams of closed-cell aluminum foam were forced to vibrate, which was caused by its specific cellular structures.

Electron spin control and spin-libration coupling of a levitated nanodiamond

Science.gov (United States)

Hoang, Thai; Ma, Yue; Ahn, Jonghoon; Bang, Jaehoon; Robicheaux, Francis; Gong, Ming; Yin, Zhang-Qi; Li, Tongcang

2017-04-01

Hybrid spin-mechanical systems have great potentials in sensing, macroscopic quantum mechanics, and quantum information science. Recently, we optically levitated a nanodiamond and demonstrated electron spin control of its built-in nitrogen-vacancy (NV) centers in vacuum. We also observed the libration (torsional vibration) of a nanodiamond trapped by a linearly polarized laser beam in vacuum. We propose to achieve strong coupling between the electron spin of a NV center and the libration of a levitated nanodiamond with a uniform magnetic field. With a uniform magnetic field, multiple spins can couple to the torsional vibration at the same time. We propose to use this strong coupling to realize the Lipkin-Meshkov-Glick (LMG) model and generate rotational superposition states. This work is supported by the National Science Foundation under Grant No. 1555035-PHY.

Diagnosis of subharmonic vibrations in rotating machinery

International Nuclear Information System (INIS)

Mott, J.E.

1977-01-01

The subject is discussed by reference to figures entitled as follows: an illustration of a shaft, mounted on rigid bearings, subjected to such a vibration; an illustration of fluid bearing whip; the displacement spectrum of an 1190 rpm (20Hz) pump with fluid bearing whip; an illustration of rubbing or dry frictional whip; the displacement spectrum measured by two sensors, located at the ten o'clock and two o'clock positions, on a horizontal pump with rub; and the vector resultant of these displacements, portraying the effect of two rubbing conditions. (UK)

The pure rotational spectra of the open-shell diatomic molecules PbI and SnI.

Science.gov (United States)

Evans, Corey J; Needham, Lisa-Maria E; Walker, Nicholas R; Köckert, Hansjochen; Zaleski, Daniel P; Stephens, Susanna L

2015-12-28

Pure rotational spectra of the ground electronic states of lead monoiodide and tin monoiodide have been measured using a chirped pulsed Fourier transform microwave spectrometer over the 7-18.5 GHz region for the first time. Each of PbI and SnI has a X (2)Π1/2 ground electronic state and may have a hyperfine structure that aids the determination of the electron electric dipole moment. For each species, pure rotational transitions of a number of different isotopologues and their excited vibrational states have been assigned and fitted. A multi-isotopologue Dunham-type analysis was carried out on both species producing values for Y01, Y02, Y11, and Y21, along with Λ-doubling constants, magnetic hyperfine constants and nuclear quadrupole coupling constants. The Born-Oppenheimer breakdown parameters for Pb have been evaluated and the parameter rationalized in terms of finite nuclear field effects. Analysis of the bond lengths and hyperfine interaction indicates that the bonding in both PbI and SnI is ionic in nature. Equilibrium bond lengths have been evaluated for both species.

Imitating model of the electronic regulator frequencies of rotation of the automobile diesel engine

OpenAIRE

Тырловой, С. И.

2011-01-01

The imitating model of an frequency electronic regulator of rotation of high-speed diesel engine an automobile diesel engine with the distributive fuel pump of Bosch company is resulted. Is executed simulation transitive modes of a diesel engine with mechanic and electronic regulators. Deterioration influence plungers steams on dinamic and economic indicators of a diesel engine is analysed. Operational indicators of a diesel engine with mechanic and electronic regulators are compared. The obt...

Excitation of blade vibration under rotation by synchronous electromagnet

Czech Academy of Sciences Publication Activity Database

Pešek, Luděk; Vaněk, František; Bula, Vítězslav; Cibulka, Jan

2011-01-01

Roč. 18, 3/4 (2011), s. 1-9 ISSN 1802-1484 R&D Projects: GA ČR GA101/09/1166 Institutional research plan: CEZ:AV0Z20760514 Keywords : blade * vibration * excitation * electromagnet Subject RIV: BI - Acoustics

System for damping vibrations in a turbine

Science.gov (United States)

Roberts, III, Herbert Chidsey; Johnson, Curtis Alan; Taxacher, Glenn Curtis

2015-11-24

A system for damping vibrations in a turbine includes a first rotating blade having a first ceramic airfoil, a first ceramic platform connected to the first ceramic airfoil, and a first root connected to the first ceramic platform. A second rotating blade adjacent to the first rotating blade includes a second ceramic airfoil, a second ceramic platform connected to the second ceramic airfoil, and a second root connected to the second ceramic platform. A non-metallic platform damper has a first position in simultaneous contact with the first and second ceramic platforms.

Symmetry Adaptation of the Rotation-Vibration Theory for Linear Molecules

Directory of Open Access Journals (Sweden)

Katy L. Chubb

2018-04-01

Full Text Available A numerical application of linear-molecule symmetry properties, described by the D ∞ h point group, is formulated in terms of lower-order symmetry groups D n h with finite n. Character tables and irreducible representation transformation matrices are presented for D n h groups with arbitrary n-values. These groups can subsequently be used in the construction of symmetry-adapted ro-vibrational basis functions for solving the Schrödinger equations of linear molecules. Their implementation into the symmetrisation procedure based on a set of “reduced” vibrational eigenvalue problems with simplified Hamiltonians is used as a practical example. It is shown how the solutions of these eigenvalue problems can also be extended to include the classification of basis-set functions using ℓ, the eigenvalue (in units of ℏ of the vibrational angular momentum operator L ^ z . This facilitates the symmetry adaptation of the basis set functions in terms of the irreducible representations of D n h . 12 C 2 H 2 is used as an example of a linear molecule of D ∞ h point group symmetry to illustrate the symmetrisation procedure of the variational nuclear motion program Theoretical ROVibrational Energies (TROVE.

Interplay of oxygen octahedral rotations and electronic instabilities in strontium ruthenate Ruddlesden-Poppers from first principles

Science.gov (United States)

Voss, Johannes; Fennie, Craig J.

2011-03-01

The Ruddlesden-Popper ruthenates Sr n+1 Ru n O3 n + 1 display a broad range of electronic phases including p -wave superconductivity, electronic nematicity, and ferromagnetism. Elucidating the role of the number of perovskite blocks, n , in the realization of these differently ordered electronic states remains a challenge. Additionally dramatic experimental advances now enable the atomic scale growth of these complex oxide thin films on a variety of substrates coherently, allowing for the application of tunable epitaxial strain and subsequently the ability to control structural distortions such as oxygen octahedral rotations. Here we investigate from first principles the effect of oxygen octahedral rotations on the electronic structure of Sr 2 Ru O4 and Sr 3 Ru 2 O7 . We discuss possible implications for the physics of the bulk systems and point towards new effects in thin films.

Analytic vibrational matrix elements for diatomic molecules

International Nuclear Information System (INIS)

Bouanich, J.P.; Ogilvie, J.F.; Tipping, R.H.

1986-01-01

The vibrational matrix elements and expectation values for a diatomic molecule, including the rotational dependence, are calculated for powers of the reduced displacement in terms of the parameters of the Dunham potential-energy function. (orig.)

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

Quantum mechanical study of elastic scattering and rotational excitation of CO by electrons

Science.gov (United States)

Onda, K.; Truhlar, D. G.

1980-01-01

Coupling calculations of differential, integral, and momentum transfer cross sections for pure elastic scattering and rotational excitation of CO by electron impact are reported. The calculations are based on a static charge distribution that has correct dipole and quadrupole moments, has cusps at the nuclei, and is augmented by an SCF treatment of charge polarization and a local approximation for exchange. The rotationally summed cross sections, with no adjustable parameters in the scattering calculation, are in reasonably good agreement with the experimental cross sections but are somewhat larger at small scattering angles.

Electron-impact vibrational excitation of the hydroxyl radical in the nighttime upper atmosphere

Science.gov (United States)

Campbell, Laurence; Brunger, Michael J.

2018-02-01

Chemical processes produce vibrationally excited hydroxyl (OH) in a layer centred at an altitude of about 87 km in the Earth's atmosphere. Observations of this layer are used to deduce temperatures in the mesosphere and to observe the passage of atmospheric gravity waves. Due to the low densities and energies at night of electrons at the relevant altitude, it is not expected that electron-impact excitation of OH would be significant. However, there are unexplained characteristics of OH densities and radiative emissions that might be explained by electron impact. These are measurements of higher than expected densities of OH above 90 km and of emissions at higher energies that cannot be explained by the chemical production processes. This study simulates the role of electron impact in these processes, using theoretical cross sections for electron-impact excitation of OH. The simulations show that electron impact, even in a substantial aurora, cannot fully explain these phenomena. However, in the process of this investigation, apparent inconsistencies in the theoretical cross sections and reaction rates were found, indicating that measurements of electron-impact excitation of OH are needed to resolve these problems and scale the theoretical predictions to allow more accurate simulations.

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.

Vibrational energy transfer in selectively excited diatomic molecules

International Nuclear Information System (INIS)

Dasch, C.J.

1978-09-01

Single rovibrational states of HCl(v=2), HBr(v=2), DCl(v=2), and CO(v=2) were excited with a pulsed optical parametric oscillator (OPO). Total vibrational relaxation rates near - resonance quenchers were measured at 295 0 K using time resolved infrared fluorescence. These rates are attributed primarily to V - V energy transfer, and they generally conform to a simple energy gap law. A small deviation was found for the CO(v) + DCl(v') relaxation rates. Upper limits for the self relaxation by V - R,T of HCl(v=2) and HBr(v=2) and for the two quantum exchange between HCl and HBr were determined. The HF dimer was detected at 295 0 K and 30 torr HF pressure with an optoacoustic spectrometer using the OPO. Pulsed and chopped, resonant and non-resonant spectrophones are analyzed in detail. From experiments and first order perturbation theory, these V - V exchange rates appear to behave as a first order perturbation in the vibrational coordinates. The rotational dynamics are known to be complicated however, and the coupled rotational - vibrational dynamics were investigated theoreticaly in infinite order by the Dillon and Stephenson and the first Magnus approximations. Large ΔJ transitions appear to be important, but these calculations differ by orders of magnitude on specific rovibrational transition rates. Integration of the time dependent semiclassical equations by a modified Gordon method and a rotationally distorted wave approximation are discussed as methods which would treat the rotational motion more accurately. 225 references

A Medipix quantum area detector allows rotation electron diffraction data collection from submicrometre three-dimensional protein crystals