An innovative MRE absorber with double natural frequencies for wide frequency bandwidth vibration absorption

International Nuclear Information System (INIS)

Sun, Shuaishuai; Yang, Jian; Li, Weihua; Alici, Gursel; Deng, Huaxia; Du, Haiping; Yan, Tianhong

2016-01-01

A new design of adaptive tuned vibration absorber was proposed in this study for vibration reduction. The innovation of the new absorber is the adoption of the eccentric mass on the top of the multilayered magnetorheological elastomer (MRE) structure so that this proposed absorber has two vibration modes: one in the torsional direction and the other in translational direction. This property enables the absorber to expand its effective bandwidth and to be more capable of reducing the vibrations especially dealing with those vibrations with multi-frequencies. The innovative MRE absorber was designed and tested on a horizontal vibration table. The test results illustrate that the MRE absorber realized double natural frequencies, both of which are controllable. Inertia’s influence on the dynamic behavior of the absorber is also investigated in order to guide the design of the innovative MRE absorber. Additionally, the experimentally obtained natural frequencies coincide with the theoretical data, which sufficiently verifies the feasibility of this new design. The last part in terms of the vibration absorption ability also proves that both of these two natural frequencies play a great role in absorbing vibration energy. (paper)

Frequency identification of vibration signals using video camera image data.

Science.gov (United States)

Jeng, Yih-Nen; Wu, Chia-Hung

2012-10-16

This study showed that an image data acquisition system connecting a high-speed camera or webcam to a notebook or personal computer (PC) can precisely capture most dominant modes of vibration signal, but may involve the non-physical modes induced by the insufficient frame rates. Using a simple model, frequencies of these modes are properly predicted and excluded. Two experimental designs, which involve using an LED light source and a vibration exciter, are proposed to demonstrate the performance. First, the original gray-level resolution of a video camera from, for instance, 0 to 256 levels, was enhanced by summing gray-level data of all pixels in a small region around the point of interest. The image signal was further enhanced by attaching a white paper sheet marked with a black line on the surface of the vibration system in operation to increase the gray-level resolution. Experimental results showed that the Prosilica CV640C CMOS high-speed camera has the critical frequency of inducing the false mode at 60 Hz, whereas that of the webcam is 7.8 Hz. Several factors were proven to have the effect of partially suppressing the non-physical modes, but they cannot eliminate them completely. Two examples, the prominent vibration modes of which are less than the associated critical frequencies, are examined to demonstrate the performances of the proposed systems. In general, the experimental data show that the non-contact type image data acquisition systems are potential tools for collecting the low-frequency vibration signal of a system.

Frequency Identification of Vibration Signals Using Video Camera Image Data

Directory of Open Access Journals (Sweden)

Chia-Hung Wu

2012-10-01

Full Text Available This study showed that an image data acquisition system connecting a high-speed camera or webcam to a notebook or personal computer (PC can precisely capture most dominant modes of vibration signal, but may involve the non-physical modes induced by the insufficient frame rates. Using a simple model, frequencies of these modes are properly predicted and excluded. Two experimental designs, which involve using an LED light source and a vibration exciter, are proposed to demonstrate the performance. First, the original gray-level resolution of a video camera from, for instance, 0 to 256 levels, was enhanced by summing gray-level data of all pixels in a small region around the point of interest. The image signal was further enhanced by attaching a white paper sheet marked with a black line on the surface of the vibration system in operation to increase the gray-level resolution. Experimental results showed that the Prosilica CV640C CMOS high-speed camera has the critical frequency of inducing the false mode at 60 Hz, whereas that of the webcam is 7.8 Hz. Several factors were proven to have the effect of partially suppressing the non-physical modes, but they cannot eliminate them completely. Two examples, the prominent vibration modes of which are less than the associated critical frequencies, are examined to demonstrate the performances of the proposed systems. In general, the experimental data show that the non-contact type image data acquisition systems are potential tools for collecting the low-frequency vibration signal of a system.

Sum frequency generation for surface vibrational spectroscopy

International Nuclear Information System (INIS)

Hunt, J.H.; Guyot-Sionnest, P.; Shen, Y.R.

1987-01-01

Surface vibrational spectroscopy is one of the best means for characterizing molecular adsorbates. For this reason, many techniques have been developed in the past. However, most of them suffer from poor sensitivity, low spectral and temporal resolution, and applications limited to vacuum solid interfaces. Recently, the second harmonic generation (SHG) technique was proved repeatedly to be a simple but versatile surface probe. It is highly sensitive and surface specific; it is also capable of achieving high temporal, spatial, and spectral resolution. Being an optical technique, it can be applied to any interface accessible by light. The only serious drawback is its lack of molecular selectivity. An obvious remedy is the extension of the technique to IR-visible sum frequency generation (SFG). Surface vibrational spectroscopy with submonolayer sensitivity is then possible using SFG with the help of a tunable IR laser. The authors report here an SFG measurement of the C-H stretch vibration of monolayers of molecules at air-solid and air-liquid interfaces

Pronounced low-frequency vibrational thermal transport in C60 fullerite realized through pressure-dependent molecular dynamics simulations

Science.gov (United States)

Giri, Ashutosh; Hopkins, Patrick E.

2017-12-01

Fullerene condensed-matter solids can possess thermal conductivities below their minimum glassy limit while theorized to be stiffer than diamond when crystallized under pressure. These seemingly disparate extremes in thermal and mechanical properties raise questions into the pressure dependence on the thermal conductivity of C60 fullerite crystals, and how the spectral contributions to vibrational thermal conductivity changes under applied pressure. To answer these questions, we investigate the effect of strain on the thermal conductivity of C60 fullerite crystals via pressure-dependent molecular dynamics simulations under the Green-Kubo formalism. We show that the thermal conductivity increases rapidly with compressive strain, which demonstrates a power-law relationship similar to their stress-strain relationship for the C60 crystals. Calculations of the density of states for the crystals under compressive strains reveal that the librational modes characteristic in the unstrained case are diminished due to densification of the molecular crystal. Over a large compression range (0-20 GPa), the Leibfried-Schlömann equation is shown to adequately describe the pressure dependence of thermal conductivity, suggesting that low-frequency intermolecular vibrations dictate heat flow in the C60 crystals. A spectral decomposition of the thermal conductivity supports this hypothesis.

High-Power Piezoelectric Vibration Characteristics of Textured SrBi2Nb2O9 Ceramics

Science.gov (United States)

Kawada, Shinichiro; Ogawa, Hirozumi; Kimura, Masahiko; Shiratsuyu, Kosuke; Niimi, Hideaki

2006-09-01

The high-power piezoelectric vibration characteristics of textured SrBi2Nb2O9 (SBN) ceramics, that is bismuth-layer-structured ferroelectrics, were studied in the longitudinal mode (33-mode) by constant current driving method and compared with those of ordinary randomly oriented SBN and widely used Pb(Ti,Zr)O3 (PZT) ceramics. In the case of textured SBN ceramics, resonant properties are stable up to a vibration velocity of 2.6 m/s. Vibration velocity at resonant frequency increases proportionally with the applied electric field, and resonant frequency is almost constant in high-vibration-velocity driving. On the other hand, in the case of randomly oriented SBN and PZT ceramics, the increase in vibration velocity is not proportional to the applied high electric field, and resonant frequency decreases with increasing vibration velocity. The resonant sharpness Q of textured SBN ceramics is about 2000, even at a vibration velocity of 2.6 m/s. Therefore, textured SBN ceramics are good candidates for high-power piezoelectric applications.

A Solvatochromic Model Calibrates Nitriles’ Vibrational Frequencies to Electrostatic Fields

Science.gov (United States)

Bagchi, Sayan; Fried, Stephen D.; Boxer, Steven G.

2012-01-01

Electrostatic interactions provide a primary connection between a protein’s three-dimensional structure and its function. Infrared (IR) probes are useful because vibrational frequencies of certain chemical groups, such as nitriles, are linearly sensitive to local electrostatic field, and can serve as a molecular electric field meter. IR spectroscopy has been used to study electrostatic changes or fluctuations in proteins, but measured peak frequencies have not been previously mapped to total electric fields, because of the absence of a field-frequency calibration and the complication of local chemical effects such as H-bonds. We report a solvatochromic model that provides a means to assess the H-bonding status of aromatic nitrile vibrational probes, and calibrates their vibrational frequencies to electrostatic field. The analysis involves correlations between the nitrile’s IR frequency and its 13C chemical shift, whose observation is facilitated by a robust method for introducing isotopes into aromatic nitriles. The method is tested on the model protein Ribonuclease S (RNase S) containing a labeled p-CN-Phe near the active site. Comparison of the measurements in RNase S against solvatochromic data gives an estimate of the average total electrostatic field at this location. The value determined agrees quantitatively with MD simulations, suggesting broader potential for the use of IR probes in the study of protein electrostatics. PMID:22694663

O modelo AM1 na previsão de frequências vibracionais The vibration frequencies predicted by the AM1 model

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João Carlos Silva Ramos

1999-09-01

Full Text Available We analyse vibrational frequencies of 168 compounds with the AM1 model concerning its experimentally observed gaseous frequencies. Stretching of CH, NH, OH and CO bonds, its related bending frequencies, and the CC frame movements are the studied vibrations. The results show problems with the AM1 vibrational splittings. Often symmetric stretching frequencies, like in CH3, CH2 and NH3, appear switched with the corresponding antisymmetrical ones. Among the studied vibrations many stretchings are overestimated, while bendings oscillate around experimental values. Fluorine stretchings, NN, OO, CH, double and triples CC bonds and cyclic hydrocarbon breathing modes are always overestimated while torsions, umbrella modes and OH/SH stretching are, in average, underestimated. Graphical analysis show that compounds with the lowest molecular masses are the ones with the largest difference to the experimental values. From our results it is not possible to fit confortably the calculated frequencies by a simple linear relationship of the type, n(obs=a*n(AM1. Better aggreement is obtained when different curves are adjusted for the stretching and bending modes, and when a complete linear function is used. Among our studies the best obtained statistical results are for CH, NH and OH. The conclusions obtained in this work will improve the AM1 calculated frequencies leading to accurate results for these properties.

Capacitance-based frequency adjustment of micro piezoelectric vibration generator.

Science.gov (United States)

Mao, Xinhua; He, Qing; Li, Hong; Chu, Dongliang

2014-01-01

Micro piezoelectric vibration generator has a wide application in the field of microelectronics. Its natural frequency is unchanged after being manufactured. However, resonance cannot occur when the natural frequencies of a piezoelectric generator and the source of vibration frequency are not consistent. Output voltage of the piezoelectric generator will sharply decline. It cannot normally supply power for electronic devices. In order to make the natural frequency of the generator approach the frequency of vibration source, the capacitance FM technology is adopted in this paper. Different capacitance FM schemes are designed by different locations of the adjustment layer. The corresponding capacitance FM models have been established. Characteristic and effect of the capacitance FM have been simulated by the FM model. Experimental results show that the natural frequency of the generator could vary from 46.5 Hz to 42.4 Hz when the bypass capacitance value increases from 0 nF to 30 nF. The natural frequency of a piezoelectric vibration generator could be continuously adjusted by this method.

Capacitance-Based Frequency Adjustment of Micro Piezoelectric Vibration Generator

Directory of Open Access Journals (Sweden)

Xinhua Mao

2014-01-01

Full Text Available Micro piezoelectric vibration generator has a wide application in the field of microelectronics. Its natural frequency is unchanged after being manufactured. However, resonance cannot occur when the natural frequencies of a piezoelectric generator and the source of vibration frequency are not consistent. Output voltage of the piezoelectric generator will sharply decline. It cannot normally supply power for electronic devices. In order to make the natural frequency of the generator approach the frequency of vibration source, the capacitance FM technology is adopted in this paper. Different capacitance FM schemes are designed by different locations of the adjustment layer. The corresponding capacitance FM models have been established. Characteristic and effect of the capacitance FM have been simulated by the FM model. Experimental results show that the natural frequency of the generator could vary from 46.5 Hz to 42.4 Hz when the bypass capacitance value increases from 0 nF to 30 nF. The natural frequency of a piezoelectric vibration generator could be continuously adjusted by this method.

Vibrational Dynamics of Interfacial Water by Free Induction Decay Sum Frequency Generation (FID-SFG) at the Al2O3(1120)/H2O Interface.

Science.gov (United States)

Boulesbaa, Abdelaziz; Borguet, Eric

2014-02-06

The dephasing dynamics of a vibrational coherence may reveal the interactions of chemical functional groups with their environment. To investigate this process at a surface, we employ free induction decay sum frequency generation (FID-SFG) to measure the time that it takes for free OH stretch oscillators at the charged (pH ≈ 13, KOH) interface of alumina/water (Al2O3/H2O) to lose their collective coherence. By employing noncollinear optical parametric amplification (NOPA) technology and nonlinear vibrational spectroscopy, we showed that the single free OH peak actually corresponds to two distinct oscillators oriented opposite to each other and measured the total dephasing time, T2, of the free OH stretch modes at the Al2O3/H2O interface with a sub-40 fs temporal resolution. Our results suggested that the free OH oscillators associated with interfacial water dephase on the time scale of 89.4 ± 6.9 fs, whereas the homogeneous dephasing of interfacial alumina hydroxyls is an order of magnitude slower.

Ocular vestibular evoked myogenic potentials to vertex low frequency vibration as a diagnostic test for superior canal dehiscence.

Science.gov (United States)

Verrecchia, Luca; Westin, Magnus; Duan, Maoli; Brantberg, Krister

2016-04-01

To explore ocular vestibular evoked myogenic potentials (oVEMP) to low-frequency vertex vibration (125 Hz) as a diagnostic test for superior canal dehiscence (SCD) syndrome. The oVEMP using 125 Hz single cycle bone-conducted vertex vibration were tested in 15 patients with unilateral superior canal dehiscence (SCD) syndrome, 15 healthy controls and in 20 patients with unilateral vestibular loss due to vestibular neuritis. Amplitude, amplitude asymmetry ratio, latency and interaural latency difference were parameters of interest. The oVEMP amplitude was significantly larger in SCD patients when affected sides (53 μVolts) were compared to non-affected (17.2 μVolts) or compared to healthy controls (13.6 μVolts). Amplitude larger than 33.8 μVolts separates effectively the SCD ears from the healthy ones with sensitivity of 87% and specificity of 93%. The other three parameters showed an overlap between affected SCD ears and non-affected as well as between SCD ears and those in the two control groups. oVEMP amplitude distinguishes SCD ears from healthy ones using low-frequency vibration stimuli at vertex. Amplitude analysis of oVEMP evoked by low-frequency vertex bone vibration stimulation is an additional indicator of SCD syndrome and might serve for diagnosing SCD patients with coexistent conductive middle ear problems. Copyright © 2016 International Federation of Clinical Neurophysiology. Published by Elsevier Ireland Ltd. All rights reserved.

Effect of low-frequency vibrations on speckle interferometry fringes

International Nuclear Information System (INIS)

Vikram, C.S.; Pechersky, M.J.

1998-01-01

The effects of low-frequency vibrations on speckle correlation fringes have been investigated. The relatively short capture time of the camera in the low-frequency case may yield usable fringe contrast in spite of vibration. It has been shown that the fringes also shift due to the vibration. The study is in agreement with experimental observations of good-contrast correlation fringes even if the object is not on a vibration-isolated table. Some such experimental observations are also presented. copyright 1998 Society of Photo-Optical Instrumentation Engineers

Electrostatics determine vibrational frequency shifts in hydrogen bonded complexes.

Science.gov (United States)

Dey, Arghya; Mondal, Sohidul Islam; Sen, Saumik; Ghosh, Debashree; Patwari, G Naresh

2014-12-14

The red-shifts in the acetylenic C-H stretching vibration of C-H∙∙∙X (X = O, N) hydrogen-bonded complexes increase with an increase in the basicity of the Lewis base. Analysis of various components of stabilization energy suggests that the observed red-shifts are correlated with the electrostatic component of the stabilization energy, while the dispersion modulates the stabilization energy.

2D heterodyne-detected sum frequency generation study on the ultrafast vibrational dynamics of H{sub 2}O and HOD water at charged interfaces

Energy Technology Data Exchange (ETDEWEB)

Inoue, Ken-ichi; Singh, Prashant C. [Molecular Spectroscopy Laboratory, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Nihonyanagi, Satoshi; Tahara, Tahei, E-mail: tahei@riken.jp [Molecular Spectroscopy Laboratory, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Ultrafast Spectroscopy Research Team, RIKEN Center for Advanced Photonics, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Yamaguchi, Shoichi [Molecular Spectroscopy Laboratory, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Department of Applied Chemistry, Saitama University, 255 Shimo-Okubo, Saitama 338-8570 (Japan)

2015-06-07

Two-dimensional heterodyne-detected vibrational sum-frequency generation (2D HD-VSFG) spectroscopy is applied to study the ultrafast vibrational dynamics of water at positively charged aqueous interfaces, and 2D HD-VSFG spectra of cetyltrimethylammonium bromide (CTAB)/water interfaces in the whole hydrogen-bonded OH stretch region (3000 cm{sup −1} ≤ ω{sub pump} ≤ 3600 cm{sup −1}) are measured. 2D HD-VSFG spectrum of the CTAB/isotopically diluted water (HOD-D{sub 2}O) interface exhibits a diagonally elongated bleaching lobe immediately after excitation, which becomes round with a time constant of ∼0.3 ps due to spectral diffusion. In contrast, 2D HD-VSFG spectrum of the CTAB/H{sub 2}O interface at 0.0 ps clearly shows two diagonal peaks and their cross peaks in the bleaching region, corresponding to the double peaks observed at 3230 cm{sup −1} and 3420 cm{sup −1} in the steady-state HD-VSFG spectrum. Horizontal slices of the 2D spectrum show that the relative intensity of the two peaks of the bleaching at the CTAB/H{sub 2}O interface gradually change with the change of the pump frequency. We simulate the pump-frequency dependence of the bleaching feature using a model that takes account of the Fermi resonance and inhomogeneity of the OH stretch vibration, and the simulated spectra reproduce the essential features of the 2D HD-VSFG spectra of the CTAB/H{sub 2}O interface. The present study demonstrates that heterodyne detection of the time-resolved VSFG is critically important for studying the ultrafast dynamics of water interfaces and for unveiling the underlying mechanism.

A broadband frequency-tunable dynamic absorber for the vibration control of structures

International Nuclear Information System (INIS)

Komatsuzaki, T; Inoue, T; Terashima, O

2016-01-01

A passive-type dynamic vibration absorber (DVA) is basically a mass-spring system that suppresses the vibration of a structure at a particular frequency. Since the natural frequency of the DVA is usually tuned to a frequency of particular excitation, the DVA is especially effective when the excitation frequency is close to the natural frequency of the structure. Fixing the physical properties of the DVA limits the application to a narrowband, harmonically excited vibration problem. A frequency-tunable DVA that can modulate its stiffness provides adaptability to the vibration control device against non-stationary disturbances. In this paper, we suggest a broadband frequency-tunable DVA whose natural frequency can be extended by 300% to the nominal value using the magnetorheological elastomers (MREs). The frequency adjustability of the proposed absorber is first shown. The real-time vibration control performance of the frequency-tunable absorber for an acoustically excited plate having multiple resonant peaks is then evaluated. Investigations show that the vibration of the structure can be effectively reduced with an improved performance by the DVA in comparison to the conventional passive- type absorber. (paper)

Applying Low-Frequency Vibration for the Experimental Investigation of Clutch Hub Forming

Directory of Open Access Journals (Sweden)

De’an Meng

2018-05-01

Full Text Available A vibration-assisted plastic-forming method was proposed, and its influence on clutch hub forming process was investigated. The experiments were conducted on a vibration-assisted hydraulic extrusion press with adjustable frequency and amplitude. Vibration frequency and amplitude were considered in investigating the effect of vibration on forming load and surface quality. Results showed that applying vibration can effectively reduce forming force and improve surface quality. The drop in forming load was proportional to the vibration frequency and amplitude, and the load decreased by up to 25%. Such reduction in forming load raised with amplitude increase because the increase in amplitude would accelerate punch relative speed, which then weakened the adhesion between workpiece and dies. By increasing the vibration frequency, the punch movement was enhanced, and the number of attempts to drag the lubricant out of the pits was increased. In this manner, the lubrication condition was improved greatly. The 3D surface topography testing confirmed the assumption. Moreover, vibration frequency exerted a more significant effect on the forming load reduction than vibration amplitude.

Impact-driven, frequency up-converting coupled vibration energy harvesting device for low frequency operation

International Nuclear Information System (INIS)

Gu, Lei; Livermore, Carol

2011-01-01

This paper presents experiments and models of an energy harvesting device in which a low frequency resonator impacts a high frequency energy harvesting resonator, resulting in energy harvesting predominantly at the system's coupled vibration frequency. Analysis shows that a reduced mechanical damping ratio during coupled vibration enables increased electrical power generation as compared with conventional technology. Experiments demonstrate that the efficiency of electrical power transfer is significantly improved with the coupled vibration approach. An average power output of 0.43 mW is achieved under 0.4g acceleration at 8.2 Hz, corresponding to a power density of 25.5 µW cm −3 . The measured power and power density at the resonant frequency are respectively 4.8 times and 13 times the measured peak values for a conventional harvester created from a low frequency beam alone

Low frequency vibration tests on a floating slab track in an underground laboratory

Institute of Scientific and Technical Information of China (English)

De-yun DING; Wei-ning LIU; Ke-fei LI; Xiao-jing SUN; Wei-feng LIU

2011-01-01

Low frequency vibrations induced by underground railways have attracted increasing attention in recent years. To obtain the characteristics of low frequency vibrations and the low frequency performance of a floating slab track (FST), low frequency vibration tests on an FST in an underground laboratory at Beijing Jiaotong University were carried out. The FST and an unbalanced shaker SBZ30 for dynamic simulation were designed for use in low frequency vibration experiments. Vibration measurements were performed on the bogie of the unbalanced shaker, the rail, the slab, the tunnel invert, the tunnel wall, the tunnel apex, and on the ground surface at distances varying from 0 to 80 m from the track. Measurements were also made on several floors of an adjacent building. Detailed results of low frequency vibration tests were reported. The attenuation of low frequency vibrations with the distance from the track was presented, as well as the responses of different floors of the building. The experimental results could be regarded as a reference for developing methods to control low frequency vibrations and for adopting countermeasures.

Study of L-ascorbic acid (vitamin C)/H 2O mixture across glass transition

Science.gov (United States)

Migliardo, F.; Branca, C.; Faraone, A.; Magazù, S.; Migliardo, P.

2001-07-01

In this paper, we report quasi elastic neutron scattering (QENS) spectra of vitamin C aqueous solutions, obtained using MIBEMOL spectrometer (LLB). The main purpose of this work is to characterize the relaxational and vibrational properties of the Vitamin C/H 2O system below and above the glass transition temperature by analysing the low-frequency neutron scattering spectra. The determination of the relative weight of vibrational over relaxational contributions allows to get information on the fragility degree of this peculiar hydrogen-bond system.

Frequency Up-Converted Low Frequency Vibration Energy Harvester Using Trampoline Effect

International Nuclear Information System (INIS)

Ju, S; Chae, S H; Choi, Y; Jun, S; Park, S M; Lee, S; Ji, C-H; Lee, H W

2013-01-01

This paper presents a non-resonant vibration energy harvester based on magnetoelectric transduction mechanism and mechanical frequency up-conversion using trampoline effect. The harvester utilizes a freely movable spherical permanent magnet which bounces off the aluminum springs integrated at both ends of the cavity, achieving frequency up-conversion from low frequency input vibration. Moreover, bonding method of magnetoelectric laminate composite has been optimized to provide higher strain to piezoelectric material and thus obtain a higher output voltage. A proof-of-concept energy harvesting device has been fabricated and tested. Maximum open-circuit voltage of 11.2V has been obtained and output power of 0.57μW has been achieved for a 50kΩ load, when the fabricated energy harvester was hand-shaken

Frequency Up-Converted Low Frequency Vibration Energy Harvester Using Trampoline Effect

Science.gov (United States)

Ju, S.; Chae, S. H.; Choi, Y.; Jun, S.; Park, S. M.; Lee, S.; Lee, H. W.; Ji, C.-H.

2013-12-01

This paper presents a non-resonant vibration energy harvester based on magnetoelectric transduction mechanism and mechanical frequency up-conversion using trampoline effect. The harvester utilizes a freely movable spherical permanent magnet which bounces off the aluminum springs integrated at both ends of the cavity, achieving frequency up-conversion from low frequency input vibration. Moreover, bonding method of magnetoelectric laminate composite has been optimized to provide higher strain to piezoelectric material and thus obtain a higher output voltage. A proof-of-concept energy harvesting device has been fabricated and tested. Maximum open-circuit voltage of 11.2V has been obtained and output power of 0.57μW has been achieved for a 50kΩ load, when the fabricated energy harvester was hand-shaken.

Hypersonic vibrations of Ag@SiO2 (cubic core)-shell nanospheres.

Science.gov (United States)

Sun, Jing Ya; Wang, Zhi Kui; Lim, Hock Siah; Ng, Ser Choon; Kuok, Meng Hau; Tran, Toan Trong; Lu, Xianmao

2010-12-28

The intriguing optical and catalytic properties of metal-silica core-shell nanoparticles, inherited from their plasmonic metallic cores together with the rich surface chemistry and increased stability offered by their silica shells, have enabled a wide variety of applications. In this work, we investigate the confined vibrational modes of a series of monodisperse Ag@SiO(2) (cubic core)-shell nanospheres synthesized using a modified Stöber sol-gel method. The particle-size dependence of their mode frequencies has been mapped by Brillouin light scattering, a powerful tool for probing hypersonic vibrations. Unlike the larger particles, the observed spheroidal-like mode frequencies of the smaller ones do not scale with inverse diameter. Interestingly, the onset of the deviation from this linearity occurs at a smaller particle size for higher-energy modes than for lower-energy ones. Finite element simulations show that the mode displacement profiles of the Ag@SiO(2) core-shells closely resemble those of a homogeneous SiO(2) sphere. Simulations have also been performed to ascertain the effects that the core shape and the relative hardness of the core and shell materials have on the vibrations of the core-shell as a whole. As the vibrational modes of a particle have a bearing on its thermal and mechanical properties, the findings would be of value in designing core-shell nanostructures with customized thermal and mechanical characteristics.

Vibrational correlation between conjugated carbonyl and diazo modes studied by single- and dual-frequency two-dimensional infrared spectroscopy

Science.gov (United States)

Maekawa, Hiroaki; Sul, Soohwan; Ge, Nien-Hui

2013-08-01

We have applied infrared three-pulse photon echo and single- and dual-frequency 2D IR spectroscopy to the ester Cdbnd O and diazo Ndbnd N stretching modes in ethyl diazoacetate (EDA), and investigated their vibrational frequency fluctuations and correlation. The two modes exhibit different vibrational dynamics and 2D lineshape, which are well simulated by frequency-frequency correlation functions (FFCFs) with two decaying components. Although the FT IR spectrum shows a single Cdbnd O band, absolute magnitude 2D IR nonrephasing spectrum displays spectral signatures supporting the presence of cis and trans conformations. The cross-peak inclined toward the anti-diagonal in the dual-frequency 2D IR spectrum, indicating that the frequency fluctuations of the two modes are anticorrelated. This behavior is attributed to anticorrelated change in the bond orders when solvent and structural fluctuations causes EDA to adopt a different mixture of the two dominant resonance structures. The effects of cross FFCF on the cross-peak line shape are discussed.

Micro-scale piezoelectric vibration energy harvesting: From fixed-frequency to adaptable-frequency devices

Science.gov (United States)

Miller, Lindsay Margaret

hundred milliwatts and are falling steadily as improvements are made, it is feasible to use energy harvesting to power WSNs. This research begins by presenting the results of a thorough survey of ambient vibrations in the machine room of a large campus building, which found that ambient vibrations are low frequency, low amplitude, time varying, and multi-frequency. The modeling and design of fixed-frequency micro scale energy harvesters are then presented. The model is able to take into account rotational inertia of the harvester's proof mass and it accepts arbitrary measured acceleration input, calculating the energy harvester's voltage as an output. The fabrication of the micro electromechanical system (MEMS) energy harvesters is discussed and results of the devices harvesting energy from ambient vibrations are presented. The harvesters had resonance frequencies ranging from 31 - 232 Hz, which was the lowest reported in literature for a MEMS device, and produced 24 pW/g2 - 10 nW/g2 of harvested power from ambient vibrations. A novel method for frequency modification of the released harvester devices using a dispenser printed mass is then presented, demonstrating a frequency shift of 20 Hz. Optimization of the MEMS energy harvester connected to a resistive load is then presented, finding that the harvested power output can be increased to several microwatts with the optimized design as long as the driving frequency matches the harvester's resonance frequency. A framework is then presented to allow a similar optimization to be conducted with the harvester connected to a synchronously switched pre-bias circuit. With the realization that the optimized energy harvester only produces usable amounts of power if the resonance frequency and driving frequency match, which is an unrealistic situation in the case of ambient vibrations which change over time and are not always known a priori, an adaptable-frequency energy harvester was designed. The adaptable-frequency harvester

A vibration energy harvesting device with bidirectional resonance frequency tunability

International Nuclear Information System (INIS)

Challa, Vinod R; Prasad, M G; Shi Yong; Fisher, Frank T

2008-01-01

Vibration energy harvesting is an attractive technique for potential powering of wireless sensors and low power devices. While the technique can be employed to harvest energy from vibrations and vibrating structures, a general requirement independent of the energy transfer mechanism is that the vibration energy harvesting device operate in resonance at the excitation frequency. Most energy harvesting devices developed to date are single resonance frequency based, and while recent efforts have been made to broaden the frequency range of energy harvesting devices, what is lacking is a robust tunable energy harvesting technique. In this paper, the design and testing of a resonance frequency tunable energy harvesting device using a magnetic force technique is presented. This technique enabled resonance tuning to ± 20% of the untuned resonant frequency. In particular, this magnetic-based approach enables either an increase or decrease in the tuned resonant frequency. A piezoelectric cantilever beam with a natural frequency of 26 Hz is used as the energy harvesting cantilever, which is successfully tuned over a frequency range of 22–32 Hz to enable a continuous power output 240–280 µW over the entire frequency range tested. A theoretical model using variable damping is presented, whose results agree closely with the experimental results. The magnetic force applied for resonance frequency tuning and its effect on damping and load resistance have been experimentally determined

Molecular Structure And Vibrational Frequencies of 2,3,4 Nitro anilines By Hartree-Fock And Density Functional Theory Calculations

International Nuclear Information System (INIS)

Sert, Y.

2008-01-01

The optimised molecular structure, vibrational frequencies and corresponding vibrational assignments of 2-, 3- and 4- nitro anilines have been calculated using the Hartree-Fock (HF) and density functional methods (B3LYP) with 6-311++G (d, p) basis set. The calculations were adapted to the C S symmetries of all the molecules. The calculated vibrational frequencies and geometric parameters (bond lengths and bond angles) were seen to be in good agreement with the experimental data. The comparison of the experimental and theoretical results showed that the HF method is superior to the B3LYP method for both the vibrational frequencies and geometric parameters

Low-frequency wideband vibration energy harvesting by using frequency up-conversion and quin-stable nonlinearity

Science.gov (United States)

Wang, Chen; Zhang, Qichang; Wang, Wei

2017-07-01

This work presents models and experiments of an impact-driven and frequency up-converted wideband piezoelectric-based vibration energy harvester with a quintuple-well potential induced by the combination effect of magnetic nonlinearity and mechanical piecewise-linearity. Analysis shows that the interwell motions during coupled vibration period enable to increase electrical power output in comparison to conventional frequency up-conversion technology. Besides, the quintuple-well potential with shallower potential wells could extend the harvester's operating bandwidth to lower frequencies. Experiments demonstrate our proposed approach can dramatically boost the measured power of the energy harvester as much as 35 times while its lower cut-off frequency is two times lower than that of a conventional counterpart. These results reveal our proposed approach shows promise for powering portable wireless smart devices from low-intensity, low-frequency vibration sources.

Active Low-frequency Vertical Vibration Isolation System for Precision Measurements

Institute of Scientific and Technical Information of China (English)

WU Kang; LI Gang; HU Hua; WANG Lijun

2017-01-01

Low-frequency vertical vibration isolation systems play important roles in precision measurements to reduce seismic and environmental vibration noise.Several types of active vibration isolation systems have been developed.However,few researches focus on how to optimize the test mass install position in order to improve the vibration transmissibility.An active low-frequency vertical vibration isolation system based on an earlier instrument,the Super Spring,is designed and implemented.The system,which is simple and compact,consists of two stages:a parallelogram-shaped linkage to ensure vertical motion,and a simple spring-mass system.The theoretical analysis of the vibration isolation system is presented,including terms erroneously ignored before.By carefully choosing the mechanical parameters according to the above analysis and using feedback control,the resonance frequency of the system is reduced from 2.3 to 0.03 Hz,a reduction by a factor of more than 75.The vibration isolation system is installed as an inertial reference in an absolute gravimeter,where it improved the scatter of the absolute gravity values by a factor of 5.The experimental results verifies the improved performance of the isolation system,making it particularly suitable for precision experiments.The improved vertical vibration isolation system can be used as a prototype for designing high-performance active vertical isolation systems.An improved theoretical model of this active vibration isolation system with beam-pivot configuration is proposed,providing fundamental guidelines for vibration isolator design and assembling.

Enhancement to Non-Contacting Stress Measurement of Blade Vibration Frequency

Science.gov (United States)

Platt, Michael; Jagodnik, John

2011-01-01

A system for turbo machinery blade vibration has been developed that combines time-of-arrival sensors for blade vibration amplitude measurement and radar sensors for vibration frequency and mode identification. The enabling technology for this continuous blade monitoring system is the radar sensor, which provides a continuous time series of blade displacement over a portion of a revolution. This allows the data reduction algorithms to directly calculate the blade vibration frequency and to correctly identify the active modes of vibration. The work in this project represents a significant enhancement in the mode identification and stress calculation accuracy in non-contacting stress measurement system (NSMS) technology when compared to time-of-arrival measurements alone.

A Sub-Hertz, Low-Frequency Vibration Isolation Platform

Science.gov (United States)

Ortiz, Gerardo, G.; Farr, William H.; Sannibale, Virginio

2011-01-01

One of the major technical problems deep-space optical communication (DSOC) systems need to solve is the isolation of the optical terminal from vibrations produced by the spacecraft navigational control system and by the moving parts of onboard instruments. Even under these vibration perturbations, the DSOC transceivers (telescopes) need to be pointed l000 fs of times more accurately than an RF communication system (parabolic antennas). Mechanical resonators have been extensively used to provide vibration isolation for groundbased, airborne, and spaceborne payloads. The effectiveness of these isolation systems is determined mainly by the ability of designing a mechanical oscillator with the lowest possible resonant frequency. The Low-Frequency Vibration Isolation Platform (LFVIP), developed during this effort, aims to reduce the resonant frequency of the mechanical oscillators into the sub-Hertz region in order to maximize the passive isolation afforded by the 40 dB/decade roll-off response of the resonator. The LFVIP also provides tip/tilt functionality for acquisition and tracking of a beacon signal. An active control system is used for platform positioning and for dampening of the mechanical oscillator. The basic idea in the design of the isolation platform is to use a passive isolation strut with an approximately equal to 100-mHz resonance frequency. This will extend the isolation range to lower frequencies. The harmonic oscillator is a second-order lowpass filter for mechanical disturbances. The resonance quality depends on the dissipation mechanisms, which are mainly hysteretic because of the low resonant frequency and the absence of any viscous medium. The LFVIP system is configured using the well-established Stewart Platform, which consists of a top platform connected to a base with six extensible struts (see figure). The struts are attached to the base and to the platform via universal joints, which permit the extension and contraction of the struts. The

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

International Nuclear Information System (INIS)

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

2012-01-01

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

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

Science.gov (United States)

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

2018-04-01

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

Signature of self-gravitation in vibrating mirror interferometry

Energy Technology Data Exchange (ETDEWEB)

Geszti, Tamas [Department of Physics of Complex Systems, Eoetvoes University, Budapest (Hungary)

2007-05-15

If - according to the Newton-Schroedinger scheme - gravitation is a classical field and its source is the mean mass density, that provides a force of attraction between the Schroedinger cat partners of the vibrating mirror in the proposed Marshall et al.experiment. That force is observable in principle as a shift of the visibility revival frequency, with respect to the c.o.m. vibration frequency to be observed mechanically. The effect is of observable size if short-range gravity is much stronger than long-range gravity.

Investigation into high-frequency-vibration assisted micro-blanking of pure copper foils

Directory of Open Access Journals (Sweden)

Wang Chunju

2015-01-01

Full Text Available The difficulties encountered during the manufacture of microparts are often associated with size effects relating to material, process and tooling. Utilizing acoustoplastic softening, achieved through a high-frequency vibration assisted micro-blanking process, was introduced to improve the surface finish in micro-blanking. A frequency of 1.0 kHz was chosen to activate the longitudinal vibration mode of the horn tip, using a piezoelectric actuator. A square hole with dimensions of 0.5 mm × 0.5 mm was made, successfully, from a commercial rolled T2 copper foil with 100 μm in thickness. It was found that the maximum blanking force could be reduced by 5% through utilizing the high-frequency vibration. Proportion of the smooth, burnished area in the cut cross-section increases with an increase of the plasticity to fracture, under the high-frequency vibration, which suggests that the vibration introduced is helpful for inhibiting evolution of the crack due to its acoustoplastic softening effect. During blanking, roughness of the burnished surface could be reduced by increasing the vibration amplitude of the punch, which played a role as surface polishing. The results obtained suggest that the high-frequency vibration can be adopted in micro-blanking in order to improve quality of the microparts.

Effects of vibration frequency on vibration-assisted nano-scratch process of mono-crystalline copper via molecular dynamics simulation

Directory of Open Access Journals (Sweden)

Bo Zhu

2016-03-01

Full Text Available It has always been a critical issue to understand the material removal behavior of Vibration-Assisted Machining (VAM, especially on atomic level. To find out the effects of vibration frequency on material removal response, a three-dimensional molecular dynamics (MD model has been established in this research to investigate the effects of scratched groove, crystal defects on the surface quality, comparing with the Von Mises shear strain and tangential force in simulations during nano-scratching process. Comparisons are made among the results of simulations from different vibration frequency with the same scratching feed, depth, amplitude and crystal orientation. Copper potential in this simulation is Embedded-Atom Method (EAM potential. Interaction between copper and carbon atoms is Morse potential. Simulational results show that higher frequency can make groove smoother. Simulation with high frequency creates more dislocations to improve the machinability of copper specimen. The changing frequency does not have evident effects on Von Mises shear strain. Higher frequency can decrease the tangential force to reduce the consumption of cutting energy and tool wear. In conclusion, higher vibration frequency in VAM on mono-crystalline copper has positive effects on surface finish, machinablility and tool wear reduction.

Effects of vibration frequency on vibration-assisted nano-scratch process of mono-crystalline copper via molecular dynamics simulation

Energy Technology Data Exchange (ETDEWEB)

Zhu, Bo; Zhao, Hongwei, E-mail: hwzhao@jlu.edu.cn, E-mail: khl69@163.com; Zhao, Dan; Zhang, Peng; Yang, Yihan; Han, Lei [School of Mechanical Science and Engineering, Jilin University, 5988 Renmin Street, Changchun, Jilin 130025 (China); Kui, Hailin, E-mail: hwzhao@jlu.edu.cn, E-mail: khl69@163.com [School of Transportation, Jilin University, 5988 Renmin Street, Changchun, Jilin 130025 (China)

2016-03-15

It has always been a critical issue to understand the material removal behavior of Vibration-Assisted Machining (VAM), especially on atomic level. To find out the effects of vibration frequency on material removal response, a three-dimensional molecular dynamics (MD) model has been established in this research to investigate the effects of scratched groove, crystal defects on the surface quality, comparing with the Von Mises shear strain and tangential force in simulations during nano-scratching process. Comparisons are made among the results of simulations from different vibration frequency with the same scratching feed, depth, amplitude and crystal orientation. Copper potential in this simulation is Embedded-Atom Method (EAM) potential. Interaction between copper and carbon atoms is Morse potential. Simulational results show that higher frequency can make groove smoother. Simulation with high frequency creates more dislocations to improve the machinability of copper specimen. The changing frequency does not have evident effects on Von Mises shear strain. Higher frequency can decrease the tangential force to reduce the consumption of cutting energy and tool wear. In conclusion, higher vibration frequency in VAM on mono-crystalline copper has positive effects on surface finish, machinablility and tool wear reduction.

Potassium-cobalt sulphate crystal growth assisted by low frequency vibrations

Science.gov (United States)

Sadovsky, A.; Ermochenkov, I.; Dubovenko, E.; Sukhanova, E.; Bebyakin, M.; Dubov, V.; Avetissov, I.

2018-02-01

Single crystals of K2Co(SO4)2·6H2O were grown from solution using the temperature reduction method enhanced by the axial low frequency vibration control technique (AVC-technique). Physical modeling of heat-mass transfer in solution under the AVC action was performed. The growth rate of the AVC grown crystal was found to be twice that of the crystal grown under natural convection conditions. Analysis of spectral characteristics (absorption and Raman spectra) as well as structural properties (dislocation density and microhardness) of the grown crystals showed the significant superiority of the AVC technique for the growth of K2Co(SO4)2·6H2O crystals.

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

Science.gov (United States)

Perger, Warren; Zhao, Jijun

2005-07-01

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

Crystal structure, vibrational spectra, optical and DFT studies of bis (3-azaniumylpropyl) azanium pentachloroantimonate (III) chloride monohydrate (C6H20N3)SbCl5·Cl·H2O

Science.gov (United States)

Ahmed, Houssem Eddine; Kamoun, Slaheddine

2017-09-01

The crystal structure of (C6H20N3)SbCl5·Cl·H2O is built up of [NH3(CH2)3NH2(CH2)3NH3]3 + cations, [SbCl5]2 - anions, free Cl- anions and neutral water molecules connected together by Nsbnd H ⋯ Cl, Nsbnd H ⋯ O and Osbnd H ⋯ Cl hydrogen bonds. The optical band gap determined by diffuse reflection spectroscopy (DRS) is 3.78 eV for a direct allowed transition. Optimized molecular geometry, atomic Mulliken charges, harmonic vibrational frequencies, HOMO-LUMO and related molecular properties of the (C6H20N3)SbCl5·Cl·H2O compound were calculated by Density functional theory (DFT) using B3LYP method with GenECP sets. The calculated structural parameters (bond lengths and angles) are in good agreement with the experimental XRD data. The vibrational unscaled wavenumbers were calculated and scaled by a proper scaling factor of 0.984. Acceptable consistency was observed between calculated and experimental results. The assignments of wavenumbers were made on the basis of potential energy distribution (PED) using Vibrational Energy Distribution Analysis (VEDA) software. The HOMO-LUMO study was extended to calculate various molecular parameters like ionization potential, electron affinity, global hardness, electro-chemical potential, electronegativity and global electrophilicity of the given molecule.

A low-frequency vibration energy harvester based on diamagnetic levitation

Science.gov (United States)

Kono, Yuta; Masuda, Arata; Yuan, Fuh-Gwo

2017-04-01

This article presents 3-degree-of-freedom theoretical modeling and analysis of a low-frequency vibration energy harvester based on diamagnetic levitation. In recent years, although much attention has been placed on vibration energy harvesting technologies, few harvesters still can operate efficiently at extremely low frequencies in spite of large potential demand in the field of structural health monitoring and wearable applications. As one of the earliest works, Liu, Yuan and Palagummi proposed vertical and horizontal diamagnetic levitation systems as vibration energy harvesters with low resonant frequencies. This study aims to pursue further improvement along this direction, in terms of expanding maximum amplitude and enhancing the flexibility of the operation direction for broader application fields by introducing a new topology of the levitation system.

Low frequency vibrations disrupt left-right patterning in the Xenopus embryo.

Directory of Open Access Journals (Sweden)

Laura N Vandenberg

Full Text Available The development of consistent left-right (LR asymmetry across phyla is a fascinating question in biology. While many pharmacological and molecular approaches have been used to explore molecular mechanisms, it has proven difficult to exert precise temporal control over functional perturbations. Here, we took advantage of acoustical vibration to disrupt LR patterning in Xenopus embryos during tightly-circumscribed periods of development. Exposure to several low frequencies induced specific randomization of three internal organs (heterotaxia. Investigating one frequency (7 Hz, we found two discrete periods of sensitivity to vibration; during the first period, vibration affected the same LR pathway as nocodazole, while during the second period, vibration affected the integrity of the epithelial barrier; both are required for normal LR patterning. Our results indicate that low frequency vibrations disrupt two steps in the early LR pathway: the orientation of the LR axis with the other two axes, and the amplification/restriction of downstream LR signals to asymmetric organs.

Effect of annealing induced residual stress on the resonance frequency of SiO2 microcantilevers

Science.gov (United States)

Balasubramanian, S.; Prabakar, K.; Tripura Sundari, S.

2018-04-01

In the present work, effect of residual stress, induced due to annealing of SiO2 microcantilevers (MCs) on their resonance frequency is studied. SiO2MCs of various dimensions were fabricated using direct laser writer & wet chemical etching method and were annealed at 800 °C in oxygen environment, post release. The residual stress was estimated from the deflection profile of the MCs measured using 3D optical microscope, before and after annealing. Resonance frequency of the MCs was measured using nano-vibration analyzer and was found to change after annealing. Further the frequency shift was found to depend on the MC dimensions. This is attributed to the large stress gradients induced by annealing and associated stiffness changes.

The low frequency 2D vibration sensor based on flat coil element

Energy Technology Data Exchange (ETDEWEB)

Djamal, Mitra; Sanjaya, Edi; Islahudin; Ramli [Department of Physics, Institut Teknologi Bandung, Jl. Ganesa 10 Bandung 40116 (Indonesia); Department of Physics, Institut Teknologi Bandung, Jl. Ganesa 10 Bandung 40116 (Indonesia) and Department of Physics, UIN Syarif Hidayatullah, Jl. Ir.H. Djuanda 95 Ciputat 15412 (Indonesia); MTs NW Nurul Iman Kembang Kerang, Jl. Raya Mataram - Lb.Lombok, NTB (Indonesia); Department of Physics, Institut Teknologi Bandung, Jl. Ganesa 10 Bandung 40116 (Indonesia) and Department of Physics,Universitas Negeri Padang, Jl. Prof. Hamka, Padang 25132 (Indonesia)

2012-06-20

Vibration like an earthquake is a phenomenon of physics. The characteristics of these vibrations can be used as an early warning system so as to reduce the loss or damage caused by earthquakes. In this paper, we introduced a new type of low frequency 2D vibration sensor based on flat coil element that we have developed. Its working principle is based on position change of a seismic mass that put in front of a flat coil element. The flat coil is a part of a LC oscillator; therefore, the change of seismic mass position will change its resonance frequency. The results of measurements of low frequency vibration sensor in the direction of the x axis and y axis gives the frequency range between 0.2 to 1.0 Hz.

Vibrational spectroscopic investigation of p-, m- and o-nitrobenzonitrile by using Hartree-Fock and density functional theory

Science.gov (United States)

Sert, Y.; Ucun, F.

2013-08-01

In the present work, the theoretical vibrational spectra of p-, m- and o-nitrobenzonitrile molecules have been analyzed. The harmonic vibrational frequencies and geometric parameters (bond lengths and bond angles) of these molecules have been calculated using ab initio Hartree-Fock and density functional theory methods with 6-311++G(d,p) basis set by Gaussian 03 W, for the first time. Assignments of the vibrational frequencies have been performed by potential energy distribution by using VEDA 4 program. The optimized geometric parameters and harmonic vibrational frequencies have been compared with the corresponding experimental data and seen to be in a good agreement with each other. Also, the highest occupied molecular orbital and lowest unoccupied molecular orbital energies have been obtained.

Mode shape and natural frequency identification for seismic analysis from background vibration

International Nuclear Information System (INIS)

Bhan, S.; Wozniak, Z.

1986-02-01

The feasibility of calculating natural frequencies and mode shapes of major equipment in a CANDU reactor from the measurements of their response to background excitation has been studied. A review of vibration data measured at various locations in CANDU plants shows that structures responded to a combination of random and harmonic background excitation. Amplitude of measured vibration is sufficient to allow meaningful data analysis. Frequency content in the 0 to 50-Hz range, which is of interest for earthquake response, is present in some of the vibration measurements studied. Spectral techniques have been developed for determining the response function of structures from measured vibration response to background excitation. The natural frequencies and mode shapes are then evaluated graphically from the frequency function plots. The methodology has been tested on a simple cantilever beam with known natural frequencies and mode shapes. The comparison between the theoretical and the computed natural frequencies and mode shapes is good for the lower modes. However, better curve-fitting techniques will be required in future, especially for higher modes. Readily available equipment necessary for the measurement of background vibration in a CANDU plant (which is commercially available) has been identified. An experimental program has been proposed to verify the methodology developed in this study. Recommendations are also made to study methods to improve the accuracy of the mode shape and natural frequency prediction

Prototype fiber Bragg Grattings (FBG) sensor based on intensity modulation of the laser diode low frequency vibrations measurement

Science.gov (United States)

Setiono, Andi; Ula, Rini Khamimatul; Hanto, Dwi; Widiyatmoko, Bambang; Purnamaningsih, Retno Wigajatri

2016-02-01

In general, Fiber Bragg Grating (FBG) sensor works based on observation of spectral response characteristic to detect the desired parameter. In this research, we studied intensity response characteristic of FBG to detect the dynamic strain. Experiment result show that the reflected intensity had linier relationships with dynamic strain. Based on these characteristics, we developed the FBG sensor to detect low frequency vibration. This sensor is designed by attaching the FBG on the bronze cantilever with dimensions of 85×3×0.5 mm. Measurement results showed that the sensor was able to detect vibrations in the frequency range of 7-10 Hz at temperature range of 25-45 ˚C. The measured frequency range is still within the frequency range of digging activity, therefore this vibration sensor can be applied for oil pipelines vandalisation detection system.

Effect of Low Frequency Burner Vibrations on the Characteristics of Jet Diffusion Flames

Directory of Open Access Journals (Sweden)

C. Kanthasamy

2012-03-01

Full Text Available Mechanical vibrations introduced in diffusion flame burners significantly affect the flame characteristics. In this experimental study, the effects of axial vibrations on the characteristics of laminar diffusion flames are investigated systematically. The effect of the frequency and amplitude of the vibrations on the flame height oscillations and flame stability is brought out. The amplitude of flame height oscillations is found to increase with increase in both frequency and amplitude of burner vibrations. Vibrations are shown to enhance stability of diffusion flames. Although flame lifts-off sooner with vibrations, stability of the flame increases.

High frequency vibration analysis by the complex envelope vectorization.

Science.gov (United States)

Giannini, O; Carcaterra, A; Sestieri, A

2007-06-01

The complex envelope displacement analysis (CEDA) is a procedure to solve high frequency vibration and vibro-acoustic problems, providing the envelope of the physical solution. CEDA is based on a variable transformation mapping the high frequency oscillations into signals of low frequency content and has been successfully applied to one-dimensional systems. However, the extension to plates and vibro-acoustic fields met serious difficulties so that a general revision of the theory was carried out, leading finally to a new method, the complex envelope vectorization (CEV). In this paper the CEV method is described, underlying merits and limits of the procedure, and a set of applications to vibration and vibro-acoustic problems of increasing complexity are presented.

Low frequency noise and air vibration generated by a simple cycle gas turbine installation

Energy Technology Data Exchange (ETDEWEB)

Giesbrecht, C.; Hertil, S. [ATCO Noise Management, Calgary, AB (Canada)

2005-07-01

Low-frequency noise refers to infrasound whose frequency is lower than the minimum human audible frequency of about 20 Hz. Recently, there have been serious complaints on noise pollution in the frequency range of 1-100 Hz. This presentation outlined ASHRAE noise criteria regions and discussed human perceptions to vibration. It also presented methods that ATCO used for measuring noise at a simple gas turbine installation, inside the site at the administration buildings, at the paths of vibration and noise propagation, and at noise sensitive receptors. A 70 dBC at the closes noise-sensitive receptor was used as a noise limit to minimize annoyance. In addition, 96 dBC was measured at 400 feet. It was noted that reducing the C-weighted sound level depends on reducing the stack noise emissions in the 16 and 31.5 band levels. ATCO evaluated silencer designs and recommended reactive silencers to achieve a 10 dB reduction in noise emitted by the 3 exhaust stacks. 6 figs.

Examining the impact of harmonic correlation on vibrational frequencies calculated in localized coordinates

Energy Technology Data Exchange (ETDEWEB)

Hanson-Heine, Magnus W. D., E-mail: magnus.hansonheine@nottingham.ac.uk [School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD (United Kingdom)

2015-10-28

Carefully choosing a set of optimized coordinates for performing vibrational frequency calculations can significantly reduce the anharmonic correlation energy from the self-consistent field treatment of molecular vibrations. However, moving away from normal coordinates also introduces an additional source of correlation energy arising from mode-coupling at the harmonic level. The impact of this new component of the vibrational energy is examined for a range of molecules, and a method is proposed for correcting the resulting self-consistent field frequencies by adding the full coupling energy from connected pairs of harmonic and pseudoharmonic modes, termed vibrational self-consistent field (harmonic correlation). This approach is found to lift the vibrational degeneracies arising from coordinate optimization and provides better agreement with experimental and benchmark frequencies than uncorrected vibrational self-consistent field theory without relying on traditional correlated methods.

Frequency Tuning of Vibration Absorber Using Topology Optimization

Science.gov (United States)

Harel, Swapnil Subhash

A tuned mass absorber is a system for reducing the amplitude in one oscillator by coupling it to a second oscillator. If tuned correctly, the maximum amplitude of the first oscillator in response to a periodic driver will be lowered, and much of the vibration will be 'transferred' to the second oscillator. The tuned vibration absorber (TVA) has been utilized for vibration control purposes in many sectors of Civil/Automotive/Aerospace Engineering for many decades since its inception. Time and again we come across a situation in which a vibratory system is required to run near resonance. In the past, approaches have been made to design such auxiliary spring mass tuned absorbers for the safety of the structures. This research focuses on the development and optimization of continuously tuned mass absorbers as a substitute to the discretely tuned mass absorbers (spring- mass system). After conducting the study of structural behavior, the boundary condition and frequency to which the absorber is to be tuned are determined. The Modal analysis approach is used to determine mode shapes and frequencies. The absorber is designed and optimized using the topology optimization tool, which simultaneously designs, optimizes and tunes the absorber to the desired frequency. The tuned, optimized absorber, after post processing, is attached to the target structure. The number of the absorbers are increased to amplify bandwidth and thereby upgrade the safety of structure for a wide range of frequency. The frequency response analysis is carried out using various combinations of structure and number of absorber cell.

The effect of the condensed-phase environment on the vibrational frequency shift of a hydrogen molecule inside clathrate hydrates.

Science.gov (United States)

Powers, Anna; Scribano, Yohann; Lauvergnat, David; Mebe, Elsy; Benoit, David M; Bačić, Zlatko

2018-04-14

We report a theoretical study of the frequency shift (redshift) of the stretching fundamental transition of an H 2 molecule confined inside the small dodecahedral cage of the structure II clathrate hydrate and its dependence on the condensed-phase environment. In order to determine how much the hydrate water molecules beyond the confining small cage contribute to the vibrational frequency shift, quantum five-dimensional (5D) calculations of the coupled translation-rotation eigenstates are performed for H 2 in the v=0 and v=1 vibrational states inside spherical clathrate hydrate domains of increasing radius and a growing number of water molecules, ranging from 20 for the isolated small cage to over 1900. In these calculations, both H 2 and the water domains are treated as rigid. The 5D intermolecular potential energy surface (PES) of H 2 inside a hydrate domain is assumed to be pairwise additive. The H 2 -H 2 O pair interaction, represented by the 5D (rigid monomer) PES that depends on the vibrational state of H 2 , v=0 or v=1, is derived from the high-quality ab initio full-dimensional (9D) PES of the H 2 -H 2 O complex [P. Valiron et al., J. Chem. Phys. 129, 134306 (2008)]. The H 2 vibrational frequency shift calculated for the largest clathrate domain considered, which mimics the condensed-phase environment, is about 10% larger in magnitude than that obtained by taking into account only the small cage. The calculated splittings of the translational fundamental of H 2 change very little with the domain size, unlike the H 2 j = 1 rotational splittings that decrease significantly as the domain size increases. The changes in both the vibrational frequency shift and the j = 1 rotational splitting due to the condensed-phase effects arise predominantly from the H 2 O molecules in the first three complete hydration shells around H 2 .

The effect of the condensed-phase environment on the vibrational frequency shift of a hydrogen molecule inside clathrate hydrates

Science.gov (United States)

Powers, Anna; Scribano, Yohann; Lauvergnat, David; Mebe, Elsy; Benoit, David M.; Bačić, Zlatko

2018-04-01

We report a theoretical study of the frequency shift (redshift) of the stretching fundamental transition of an H2 molecule confined inside the small dodecahedral cage of the structure II clathrate hydrate and its dependence on the condensed-phase environment. In order to determine how much the hydrate water molecules beyond the confining small cage contribute to the vibrational frequency shift, quantum five-dimensional (5D) calculations of the coupled translation-rotation eigenstates are performed for H2 in the v =0 and v =1 vibrational states inside spherical clathrate hydrate domains of increasing radius and a growing number of water molecules, ranging from 20 for the isolated small cage to over 1900. In these calculations, both H2 and the water domains are treated as rigid. The 5D intermolecular potential energy surface (PES) of H2 inside a hydrate domain is assumed to be pairwise additive. The H2-H2O pair interaction, represented by the 5D (rigid monomer) PES that depends on the vibrational state of H2, v =0 or v =1 , is derived from the high-quality ab initio full-dimensional (9D) PES of the H2-H2O complex [P. Valiron et al., J. Chem. Phys. 129, 134306 (2008)]. The H2 vibrational frequency shift calculated for the largest clathrate domain considered, which mimics the condensed-phase environment, is about 10% larger in magnitude than that obtained by taking into account only the small cage. The calculated splittings of the translational fundamental of H2 change very little with the domain size, unlike the H2 j = 1 rotational splittings that decrease significantly as the domain size increases. The changes in both the vibrational frequency shift and the j = 1 rotational splitting due to the condensed-phase effects arise predominantly from the H2O molecules in the first three complete hydration shells around H2.

Vibrational tug-of-war: The pKA dependence of the broad vibrational features of strongly hydrogen-bonded carboxylic acids

Science.gov (United States)

Van Hoozen, Brian L.; Petersen, Poul B.

2018-04-01

Medium and strong hydrogen bonds give rise to broad vibrational features frequently spanning several hundred wavenumbers and oftentimes exhibiting unusual substructures. These broad vibrational features can be modeled from first principles, in a reduced dimensional calculation, that adiabatically separates low-frequency modes, which modulate the hydrogen bond length, from high-frequency OH stretch and bend modes that contribute to the vibrational structure. Previously this method was used to investigate the origin of an unusual vibrational feature frequently found in the spectra of dimers between carboxylic acids and nitrogen-containing aromatic bases that spans over 900 cm-1 and contains two broad peaks. It was found that the width of this feature largely originates from low-frequency modes modulating the hydrogen bond length and that the structure results from Fermi resonance interactions. In this report, we examine how these features change with the relative acid and base strength of the components as reflected by their aqueous pKA values. Dimers with large pKA differences are found to have features that can extend to frequencies below 1000 cm-1. The relationships between mean OH/NH frequency, aqueous pKA, and O-N distance are examined in order to obtain a more rigorous understanding of the origin and shape of the vibrational features. The mean OH/NH frequencies are found to correlate well with O-N distances. The lowest OH stretch frequencies are found in dimer geometries with O-N distances between 2.5 and 2.6 Å. At larger O-N distances, the hydrogen bonding interaction is not as strong, resulting in higher OH stretch frequencies. When the O-N distance is smaller than 2.5 Å, the limited space between the O and N determines the OH stretch frequency, which gives rise to frequencies that decrease with O-N distances. These two effects place a lower limit on the OH stretch frequency which is calculated to be near 700 cm-1. Understanding how the vibrational features

Low frequency torsional vibration gaps in the shaft with locally resonant structures

International Nuclear Information System (INIS)

Yu Dianlong; Liu Yaozong; Wang Gang; Cai Li; Qiu Jing

2006-01-01

The propagation of torsional wave in the shaft with periodically attached local resonators is studied with the transfer matrix theory and the finite element method. The analytical dispersion relation and the complex band structure of such a structure is presented for the first time, which indicates the existence of low frequency gaps. The effect of shaft material on the vibration attenuation in band gap is investigated. The frequency response function of the shaft with finite periodic locally resonant oscillators is simulated with finite element method, which shows large vibration attenuation in the frequency range of the gap as expected. The low frequency torsional gap in shafts provides a new idea for vibration control

High-precision and low-cost vibration generator for low-frequency calibration system

Science.gov (United States)

Li, Rui-Jun; Lei, Ying-Jun; Zhang, Lian-Sheng; Chang, Zhen-Xin; Fan, Kuang-Chao; Cheng, Zhen-Ying; Hu, Peng-Hao

2018-03-01

Low-frequency vibration is one of the harmful factors that affect the accuracy of micro-/nano-measuring machines because its amplitude is significantly small and it is very difficult to avoid. In this paper, a low-cost and high-precision vibration generator was developed to calibrate an optical accelerometer, which is self-designed to detect low-frequency vibration. A piezoelectric actuator is used as vibration exciter, a leaf spring made of beryllium copper is used as an elastic component, and a high-resolution, low-thermal-drift eddy current sensor is applied to investigate the vibrator’s performance. Experimental results demonstrate that the vibration generator can achieve steady output displacement with frequency range from 0.6 Hz to 50 Hz, an analytical displacement resolution of 3.1 nm and an acceleration range from 3.72 mm s-2 to 1935.41 mm s-2 with a relative standard deviation less than 1.79%. The effectiveness of the high-precision and low-cost vibration generator was verified by calibrating our optical accelerometer.

Raman spectrum, quantum mechanical calculations and vibrational assignments of (95% alpha-TeO2/5% Sm2O3) glass.

Science.gov (United States)

Shaltout, I; Mohamed, Tarek A

2007-06-01

Chozen system of tellurite glasses doped with rare earth oxides (95% alpha-TeO(2)+5% Sm2O3) was prepared by melt quenching. Consequently, the Raman spectrum (150-1250 cm(-1)) of the modified tellurite have been recorded. As a continuation to our normal coordinate analysis, force constants and quantum mechanical (QM) calculations for tbp TeO4(4-) (triagonal bipyramid, C(2v)) and TeO(3+1); Te2O7(6-) (bridged tetrahedral), we have carried out ab initio frequency calculations for tpy TeO3(2-) (triagonal pyramidal, C(3v) and C(s)) and tp TeO3(2-) (triagonal planar, D(3h)) ions. The quantum mechanical calculations at the levels of RHF, B3LYP and MP2 allow confident vibrational assignments and structural identification in the binary oxide glass (95% alpha-TeO2 +5% Sm2O3). The dominant three-dimensional network structures in the modified glass are triagonal pyramidal TeO3 with minor features of short range distorted tbp TeO4 and bridged tetrahedral unit of TeO(3+1), leading to a structure of infinite chain. Therefore, alpha-TeO2/Sm2O3 (95/5%) glass experience structural changes from TeO4 (tbp); Te2O7 (TeO(3+1))-->TeO3 (tpy).

Vibrational spectroscopy of shock-compressed fluid N2 and O2

International Nuclear Information System (INIS)

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

1987-01-01

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

Comparative analysis of internal friction and natural frequency measured by free decay and forced vibration

International Nuclear Information System (INIS)

Wang, Y. Z.; Ding, X. D.; Xiong, X. M.; Zhang, J. X.

2007-01-01

Relations between various values of the internal friction (tgδ, Q -1 , Q -1* , and Λ/π) measured by free decay and forced vibration are analyzed systemically based on a fundamental mechanical model in this paper. Additionally, relations between various natural frequencies, such as vibration frequency of free decay ω FD , displacement-resonant frequency of forced vibration ω d , and velocity-resonant frequency of forced vibration ω 0 are calculated. Moreover, measurement of natural frequencies of a copper specimen of 99.9% purity has been made to demonstrate the relation between the measured natural frequencies of the system by forced vibration and free decay. These results are of importance for not only more accurate measurement of the elastic modulus of materials but also the data conversion between different internal friction measurements

Formation and vibrational structure of Si nano-clusters in ZnO matrix

Energy Technology Data Exchange (ETDEWEB)

Garcia-Serrano, J. [Universidad Autonoma del Estado de Hidalgo, Hidalgo (Mexico); Pal, U. [Universidad Autonoma de Puebla, Puebla (Mexico); Koshizaki, N.; Sasaki, T. [National Institute of Materials and Chemical Research, Ibaraki (Japan)

2001-02-01

We have studied the formation and vibrational structure of Si nano-clusters in ZnO matrix prepared by radio-frequency (r.f.) co-sputtering, and characterized by Transmission Electron Microscopy (TEM), X-ray Photoelectron Spectroscopy (XPS) and Infrared (IR) spectroscopy techniques. The composite films of Si/ZnO were grown o quartz substrates by co-sputtering of Si and ZnO targets. TEM images show a homogeneous distribution of clusters in the matrix with average size varied from 3.7 nm to 34 nm depending on the temperature of annealing. IR absorption measurements revealed the bands correspond to the modes of vibrations of Si{sub 3} in its triangular geometrical structure. By analysing the IR absorption and XPS spectra we found that the nano-clusters consist of a Si{sub 3} core and a SiO{sub x} cap layer. With the increase of annealing temperature, the vibrational states of Si changed from the triplet {sup 3}B1(C2{sub v}) and {sup 3}A'{sub 2}(D{sub 3h}) states to its singlet ground state {sup 1}A{sub 1}(C2{sub v}) and the oxidation state of Si in SiO{sub x} increased. The evolution of the local atomic structure of the Si nano-clusters with the variation of Si content in the film and with the variation of the temperature of annealing are discussed. [Spanish] Se estudia la formacion y estructura vibracional de nano-cumulos de Si en matriz de ZnO preparados por la tecnica de radio-frecuencia (r.f.) co-sputtering, y caracterizados por Microscopia Electronica de Transmision (TEM), Espectroscopia Fotoelectronica de rayos X (XPS) y Espectroscopia de Infrarrojo (IR). Las peliculas compositas de Si/ZnO fueron crecidas sobre sustratos de cuarzo mediante el co-sputtering de blancos de Si y ZnO. Las imagenes de TEM mostraron una distribucion homogenea de cumulos en la matriz con un tamano promedio de 3.7 nm a 34 nm dependiendo de la temperatura de tratamiento. Las mediciones de IR relevaron las bandas correspondientes a los modos de vibracion de Si{sub 3} en su estructura

Contact area affects frequency-dependent responses to vibration in the peripheral vascular and sensorineural systems.

Science.gov (United States)

Krajnak, Kristine; Miller, G R; Waugh, Stacey

2018-01-01

Repetitive exposure to hand-transmitted vibration is associated with development of peripheral vascular and sensorineural dysfunctions. These disorders and symptoms associated with it are referred to as hand-arm vibration syndrome (HAVS). Although the symptoms of the disorder have been well characterized, the etiology and contribution of various exposure factors to development of the dysfunctions are not well understood. Previous studies performed using a rat-tail model of vibration demonstrated that vascular and peripheral nervous system adverse effects of vibration are frequency-dependent, with vibration frequencies at or near the resonant frequency producing the most severe injury. However, in these investigations, the amplitude of the exposed tissue was greater than amplitude typically noted in human fingers. To determine how contact with vibrating source and amplitude of the biodynamic response of the tissue affects the risk of injury occurring, this study compared the influence of frequency using different levels of restraint to assess how maintaining contact of the tail with vibrating source affects the transmission of vibration. Data demonstrated that for the most part, increasing the contact of the tail with the platform by restraining it with additional straps resulted in an enhancement in transmission of vibration signal and elevation in factors associated with vascular and peripheral nerve injury. In addition, there were also frequency-dependent effects, with exposure at 250 Hz generating greater effects than vibration at 62.5 Hz. These observations are consistent with studies in humans demonstrating that greater contact and exposure to frequencies near the resonant frequency pose the highest risk for generating peripheral vascular and sensorineural dysfunction.

Facet-specific interaction between methanol and TiO2 probed by sum-frequency vibrational spectroscopy.

Science.gov (United States)

Yang, Deheng; Li, Yadong; Liu, Xinyi; Cao, Yue; Gao, Yi; Shen, Y Ron; Liu, Wei-Tao

2018-04-24

The facet-specific interaction between molecules and crystalline catalysts, such as titanium dioxides (TiO 2 ), has attracted much attention due to possible facet-dependent reactivity. Using surface-sensitive sum-frequency vibrational spectroscopy, we have studied how methanol interacts with different common facets of crystalline TiO 2 , including rutile(110), (001), (100), and anatase(101), under ambient temperature and pressure. We found that methanol adsorbs predominantly in the molecular form on all of the four surfaces, while spontaneous dissociation into methoxy occurs preferentially when these surfaces become defective. Extraction of Fermi resonance coupling between stretch and bending modes of the methyl group in analyzing adsorbed methanol spectra allows determination of the methanol adsorption isotherm. The isotherms obtained for the four surfaces are nearly the same, yielding two adsorbed Gibbs free energies associated with two different adsorption configurations singled out by ab initio calculations. They are ( i ) ∼-20 kJ/mol for methanol with its oxygen attached to a low-coordinated surface titanium, and ( ii ) ∼-5 kJ/mol for methanol hydrogen-bonded to a surface oxygen and a neighboring methanol molecule. Despite similar adsorption energetics, the Fermi resonance coupling strength for adsorbed methanol appears to depend sensitively on the surface facet and coverage.

Vibrational Characterizations of Zn0.72Li0.28O/Si Thin Films Studied by Fourier Transform Raman Spectroscopy

International Nuclear Information System (INIS)

Myo Myat Thet; Win Kyaw; Yin Maung Maung; Ko Ko Kyaw Soe

2008-03-01

The Zn0.72Li0.28O/Si (x = 0.28mol%) thin layers were fabricated on p-Si(100) substrate with five different process temperature. Vibrational characterizations of those thin films were investigated by FT- Raman spectroscopy. The resulted spectral line characters have been compared with that of Zn0.72Li0.28O/Glass thin films. Some vibrational motions of starting materials and final(candidate) thin films molecules were found in two substrates of glass and Si and vibrational frequencies were assigned by using molecular spectroscopy. Most of the frequencies of starting and final materials were found to be shifted in each of the films of two different substrates.

Adsorption of F2C=CFCl on TiO2 nano-powder: Structures, energetics and vibrational properties from DRIFT spectroscopy and periodic quantum chemical calculations

International Nuclear Information System (INIS)

Tasinato, Nicola; Moro, Daniele; Stoppa, Paolo; Pietropolli Charmet, Andrea; Toninello, Piero; Giorgianni, Santi

2015-01-01

Graphical abstract: - Highlights: • Adsorption of F 2 C=CFCl on TiO 2 unveiled by DRIFTS and periodic DFT. • Structural, energetic and vibrational properties of F 2 C=CFCl @ anatase (1 0 1). • Binding energies (B3LYP-D2) between −17 and −46 kJ mol −1 depending on the anchor point. • Theory and experiment converge on the CF 2 moiety as the main anchor point. - Abstract: Photodegradation over titanium dioxide (TiO 2 ) is a very appealing technology for removing environmental pollutants from the air, the adsorption interaction being the first step of the whole reaction pathway. In the present work the adsorption of F 2 C=CFCl (chlorotrifluoroethene, halon 1113), a compound used by industry and detected in the atmosphere, on a commercial TiO 2 nano-powder is investigated experimentally by in situ DRIFT spectroscopy and theoretically through periodic ab initio calculations rooted in DFT. The spectra of the adsorbed molecule suggest that the anchoring to the surface mainly takes place through F atoms. Theoretically, five adsorption configurations for the molecule interacting with the anatase (1 0 1) surface are simulated at B3LYP level and for each of them, structures, binding energies and vibrational frequencies are derived. The interplay between theory and experiments shows the coexistence of different adsorption configurations, the foremost ones featuring the interaction of one F atom with a fivefold coordinated Ti 4+ of the surface. These two adsorption models, which mostly differ for the orientation of the adsorbate with respect to the surface, feature a binding energy of −45.6 and −41.0 kJ mol −1 according to dispersion corrected DFT calculations. The favorable adsorption interaction appears as an important requirement toward the application of titanium dioxide technologies for the photocatalytic degradation of halon 1113.

Low frequency vibrations induce malformations in two aquatic species in a frequency-, waveform-, and direction-specific manner.

Directory of Open Access Journals (Sweden)

Laura N Vandenberg

Full Text Available Environmental toxicants such as industrial wastes, air particulates from machinery and transportation vehicles, and pesticide run-offs, as well as many chemicals, have been widely studied for their effects on human and wildlife populations. Yet other potentially harmful environmental pollutants such as electromagnetic pulses, noise and vibrations have remained incompletely understood. Because developing embryos undergo complex morphological changes that can be affected detrimentally by alterations in physical forces, they may be particularly susceptible to exposure to these types of pollutants. We investigated the effects of low frequency vibrations on early embryonic development of two aquatic species, Xenopus laevis (frogs and Danio rerio (zebrafish, specifically focusing on the effects of varying frequencies, waveforms, and applied direction. We observed treatment-specific effects on the incidence of neural tube defects, left-right patterning defects and abnormal tail morphogenesis in Xenopus tadpoles. Additionally, we found that low frequency vibrations altered left-right patterning and tail morphogenesis, but did not induce neural tube defects, in zebrafish. The results of this study support the conclusion that low frequency vibrations are toxic to aquatic vertebrates, with detrimental effects observed in two important model species with very different embryonic architectures.

High frequency vibration characteristics of electric wheel system under in-wheel motor torque ripple

Science.gov (United States)

Mao, Yu; Zuo, Shuguang; Wu, Xudong; Duan, Xianglei

2017-07-01

With the introduction of in-wheel motor, the electric wheel system encounters new vibration problems brought by motor torque ripple excitation. In order to analyze new vibration characteristics of electric wheel system, torque ripple of in-wheel motor based on motor module and vector control system is primarily analyzed, and frequency/order features of the torque ripple are discussed. Then quarter vehicle-electric wheel system (QV-EWS) dynamics model based on the rigid ring tire assumption is established and the main parameters of the model are identified according to tire free modal test. Modal characteristics of the model are further analyzed. The analysis indicates that torque excitation of in-wheel motor is prone to arouse horizontal vibration, in which in-phase rotational, anti-phase rotational and horizontal translational modes of electric wheel system mainly participate. Based on the model, vibration responses of the QV-EWS under torque ripple are simulated. The results show that unlike vertical low frequency (lower than 20 Hz) vibration excited by road roughness, broadband torque ripple will arouse horizontal high frequency (50-100 Hz) vibration of electric wheel system due to participation of the three aforementioned modes. To verify the theoretical analysis, the bench experiment of electric wheel system is conducted and vibration responses are acquired. The experiment demonstrates the high frequency vibration phenomenon of electric wheel system and the measured order features as well as main resonant frequencies agree with simulation results. Through theoretical modeling, analysis and experiments this paper reveals and explains the high frequency vibration characteristics of electric wheel system, providing references for the dynamic analysis, optimal design of QV-EWS.

Tuning and sensitivity of the human vestibular system to low-frequency vibration.

Science.gov (United States)

Todd, Neil P McAngus; Rosengren, Sally M; Colebatch, James G

2008-10-17

Mechanoreceptive hair-cells of the vertebrate inner ear have a remarkable sensitivity to displacement, whether excited by sound, whole-body acceleration or substrate-borne vibration. In response to seismic or substrate-borne vibration, thresholds for vestibular afferent fibre activation have been reported in anamniotes (fish and frogs) in the range -120 to -90 dB re 1g. In this article, we demonstrate for the first time that the human vestibular system is also extremely sensitive to low-frequency and infrasound vibrations by making use of a new technique for measuring vestibular activation, via the vestibulo-ocular reflex (VOR). We found a highly tuned response to whole-head vibration in the transmastoid plane with a best frequency of about 100 Hz. At the best frequency we obtained VOR responses at intensities of less than -70 dB re 1g, which was 15 dB lower than the threshold of hearing for bone-conducted sound in humans at this frequency. Given the likely synaptic attenuation of the VOR pathway, human receptor sensitivity is probably an order of magnitude lower, thus approaching the seismic sensitivity of the frog ear. These results extend our knowledge of vibration-sensitivity of vestibular afferents but also are remarkable as they indicate that the seismic sensitivity of the human vestibular system exceeds that of the cochlea for low-frequencies.

Characteristics in Molecular Vibrational Frequency Patterns between Agonists and Antagonists of Histamine Receptors

Directory of Open Access Journals (Sweden)

S. June Oh

2012-06-01

Full Text Available To learn the differences between the structure-activity relationship and molecular vibration-activity relationship in the ligand-receptor interaction of the histamine receptor, 47 ligands of the histamine receptor were analyzed by structural similarity and molecular vibrational frequency patterns. The radial tree that was produced by clustering analysis of molecular vibrational frequency patterns shows its potential for the functional classification of histamine receptor ligands.

Flextensional fiber Bragg grating-based accelerometer for low frequency vibration measurement

Institute of Scientific and Technical Information of China (English)

Jinghua Zhang; Xueguang Qiao; Manli Hu; Zhongyao Feng; Hong Gao; Yang Yang; Rui Zhou

2011-01-01

@@ The intelligent structural health monitoring method,which uses a fiber Bragg grating(FBG)sensor,is a new approach in the field of civil engineering.However,it lacks a reliable FBG-based accelerometer for taking structural low frequency vibration measurements.In this letter,a flextensional FBG-based accelerometer is proposed and demonstrated.The experimental results indicate that the natural frequency of the developed accelerometer is 16.7 Hz,with a high sensitivity of 410.7 pm/g.In addition,it has a broad and flat response over low frequencies ranging from 1 to 10 Hz.The natural frequency and sensitivity of the accelerometer can be tuned by adding mass to tailor the sensor performance to specific applications.Experimental results are presented to demonstrate the good performance of the proposed FBG-based accelerometer.These results show that the proposed accelerometer is satisfactory for low frequency vibration measurements.%The intelligent structural health monitoring method, which uses a fiber Bragg grating {FBG} sensor, ie a new approach in the field of civil engineering. However, it lacks a reliable FBG-based accelerometer for taking structural low frequency vibration measurements. In this letter, a flextensional FBG-based accelerometer is proposed and demonstrated. The experimental results indicate that the natural frequency of the developed accelerometer is 16.7 Hz, with a high sensitivity of 410.7 pm/g. In addition, it has a broad and flat response over low frequencies ranging from 1 to 10 Hz. The natural frequency and sensitivity of the accelerometer can be tuned by adding mass to tailor the sensor performance to specific applications. Experimental results are presented to demonstrate the good performance of the proposed FBG-based accelerometer. These results show that the proposed accelerometer is satisfactory for low frequency vibration measurements.

Broadband electromagnetic power harvester from vibrations via frequency conversion by impact oscillations

International Nuclear Information System (INIS)

Yuksek, N. S.; Almasri, M.; Feng, Z. C.

2014-01-01

In this paper, we propose an electromagnetic power harvester that uses a transformative multi-impact approach to achieve a wide bandwidth response from low frequency vibration sources through frequency-up conversion. The device consists of a pick-up coil, fixed at the free edge of a cantilever beam with high resonant frequency, and two cantilever beams with low excitation frequencies, each with an impact mass attached at its free edge. One of the two cantilevers is designed to resonate at 25 Hz, while the other resonates at 50 Hz within the range of ambient vibration frequency. When the device is subjected to a low frequency vibration, the two low-frequency cantilevers responded by vibrating at low frequencies, and thus their thick metallic masses made impacts with the high resonance frequency cantilever repeatedly at two locations. This has caused it along with the pick-up coil to oscillate, relative to the permanent magnet, with decaying amplitude at its resonance frequency, and results in a wide bandwidth response from 10 to 63 Hz at 2 g. A wide bandwidth response between 10–51 Hz and 10–58 Hz at acceleration values of 0.5 g and 2 g, respectively, were achieved by adjusting the impact cantilever frequencies closer to each other (25 Hz and 45 Hz). A maximum output power of 85 μW was achieved at 5 g at 30 Hz across a load resistor, 2.68 Ω.

Eulerian frequency analysis of structural vibrations from high-speed video

International Nuclear Information System (INIS)

Venanzoni, Andrea; De Ryck, Laurent; Cuenca, Jacques

2016-01-01

An approach for the analysis of the frequency content of structural vibrations from high-speed video recordings is proposed. The techniques and tools proposed rely on an Eulerian approach, that is, using the time history of pixels independently to analyse structural motion, as opposed to Lagrangian approaches, where the motion of the structure is tracked in time. The starting point is an existing Eulerian motion magnification method, which consists in decomposing the video frames into a set of spatial scales through a so-called Laplacian pyramid [1]. Each scale — or level — can be amplified independently to reconstruct a magnified motion of the observed structure. The approach proposed here provides two analysis tools or pre-amplification steps. The first tool provides a representation of the global frequency content of a video per pyramid level. This may be further enhanced by applying an angular filter in the spatial frequency domain to each frame of the video before the Laplacian pyramid decomposition, which allows for the identification of the frequency content of the structural vibrations in a particular direction of space. This proposed tool complements the existing Eulerian magnification method by amplifying selectively the levels containing relevant motion information with respect to their frequency content. This magnifies the displacement while limiting the noise contribution. The second tool is a holographic representation of the frequency content of a vibrating structure, yielding a map of the predominant frequency components across the structure. In contrast to the global frequency content representation of the video, this tool provides a local analysis of the periodic gray scale intensity changes of the frame in order to identify the vibrating parts of the structure and their main frequencies. Validation cases are provided and the advantages and limits of the approaches are discussed. The first validation case consists of the frequency content

Transient infrared absorption of t-CH3C(O)OO, c-CH3C(O)OO, and α-lactone recorded in gaseous reactions of CH3CO and O2

Science.gov (United States)

Chen, Sun-Yang; Lee, Yuan-Pern

2010-03-01

A step-scan Fourier-transform infrared spectrometer coupled with a multipass absorption cell was utilized to monitor the transient species produced in gaseous reactions of CH3CO and O2; IR absorption spectra of CH3C(O)OO and α-lactone were observed. Absorption bands with origins at 1851±1, 1372±2, 1169±6, and 1102±3 cm-1 are attributed to t-CH3C(O)OO, and those at 1862±3, 1142±4, and 1078±6 cm-1 are assigned to c-CH3C(O)OO. A weak band near 1960 cm-1 is assigned to α-lactone, cyc-CH2C(O)O, a coproduct of OH. These observed rotational contours agree satisfactorily with simulated bands based on predicted rotational parameters and dipole derivatives, and observed vibrational wavenumbers agree with harmonic vibrational wavenumbers predicted with B3LYP/aug-cc-pVDZ density-functional theory. The observed relative intensities indicate that t-CH3C(O)OO is more stable than c-CH3C(O)OO by 3±2 kJ mol-1. Based on these observations, the branching ratio for the OH+α-lactone channel of the CH3CO+O2 reaction is estimated to be 0.04±0.01 under 100 Torr of O2 at 298 K. A simple kinetic model is employed to account for the decay of CH3C(O)OO.

Transient infrared absorption of t-CH3C(O)OO, c-CH3C(O)OO, and alpha-lactone recorded in gaseous reactions of CH3CO and O2.

Science.gov (United States)

Chen, Sun-Yang; Lee, Yuan-Pern

2010-03-21

A step-scan Fourier-transform infrared spectrometer coupled with a multipass absorption cell was utilized to monitor the transient species produced in gaseous reactions of CH(3)CO and O(2); IR absorption spectra of CH(3)C(O)OO and alpha-lactone were observed. Absorption bands with origins at 1851+/-1, 1372+/-2, 1169+/-6, and 1102+/-3 cm(-1) are attributed to t-CH(3)C(O)OO, and those at 1862+/-3, 1142+/-4, and 1078+/-6 cm(-1) are assigned to c-CH(3)C(O)OO. A weak band near 1960 cm(-1) is assigned to alpha-lactone, cyc-CH(2)C(=O)O, a coproduct of OH. These observed rotational contours agree satisfactorily with simulated bands based on predicted rotational parameters and dipole derivatives, and observed vibrational wavenumbers agree with harmonic vibrational wavenumbers predicted with B3LYP/aug-cc-pVDZ density-functional theory. The observed relative intensities indicate that t-CH(3)C(O)OO is more stable than c-CH(3)C(O)OO by 3+/-2 kJ mol(-1). Based on these observations, the branching ratio for the OH+alpha-lactone channel of the CH(3)CO+O(2) reaction is estimated to be 0.04+/-0.01 under 100 Torr of O(2) at 298 K. A simple kinetic model is employed to account for the decay of CH(3)C(O)OO.

An analytical study of the effects of transverse shear deformation and anisotropy on natural vibration frequencies of laminated cylinders

Science.gov (United States)

Jegley, Dawn C.

1988-01-01

Natural vibration frequencies of orthotropic and anisotropic simply supported right circular cylinders are predicted using a higher-order transverse-shear deformation theory. A comparison of natural vibration frequencies predicted by first-order transverse-shear deformation theory and the higher-order theory shows that an additional allowance for transverse shear deformation has a negligible effect on the lowest predicted natural vibration frequencies of laminated cylinders but significantly reduces the higher natural vibration frequencies. A parametric study of the effects of ply orientation on the natural vibration frequencies of laminated cylinders indicates that while stacking sequence affects natural vibration frequencies, cylinder geometry is more important in predicting transverse-shear deformation effects. Interaction curves for cylinders subjected to axial compressive loadings and low natural vibration frequencies indicate that transverse shearing effects are less important in predicting low natural vibration frequencies than in predicting axial compressive buckling loads. The effects of anisotropy are more important than the effects of transverse shear deformation for most strongly anisotropic laminated cylinders in predicting natural vibration frequencies. However, transverse-shear deformation effects are important in predicting high natural vibration frequencies of thick-walled laminated cylinders. Neglecting either anisotropic effects or transverse-shear deformation effects leads to non-conservative errors in predicted natural vibration frequencies.

Self Assembly and Properties of C:WO3 Nano-Platelets and C:VO2/V2O5 Triangular Capsules Produced by Laser Solution Photolysis

Directory of Open Access Journals (Sweden)

Sideras-Haddad E

2009-01-01

Full Text Available Abstract Laser photolysis of WCl6 in ethanol and a specific mixture of V2O5 and VCl3 in ethanol lead to carbon modified vanadium and tungsten oxides with interesting properties. The presence of graphene’s aromatic rings (from the vibrational frequency of 1,600 cm−1 together with C–C bonding of carbon (from the Raman shift of 1,124 cm−1 present unique optical, vibrational, electronic and structural properties of the intended tungsten trioxide and vanadium dioxide materials. The morphology of these samples shows nano-platelets in WO x samples and, in VO x samples, encapsulated spherical quantum dots in conjunction with fullerenes of VO x . Conductivity studies revealed that the VO2/V2O5 nanostructures are more sensitive to Cl than to the presence of ethanol, whereas the C:WO3 nano-platelets are more sensitive to ethanol than atomic C.

Vibrational spectroscopic study of poldervaartite CaCa[SiO3(OH)(OH)

Science.gov (United States)

Frost, Ray L.; López, Andrés; Scholz, Ricardo; Lima, Rosa Malena Fernandes

2015-02-01

We have studied the mineral poldervaartite CaCa[SiO3(OH)(OH)] which forms a series with its manganese analogue olmiite CaMn[SiO3(OH)](OH) using a range of techniques including scanning electron microscopy, thermogravimetric analysis, Raman and infrared spectroscopy. Chemical analysis shows the mineral is reasonably pure and contains only calcium and manganese with low amounts of Al and F. Thermogravimetric analysis proves the mineral decomposes at 485 °C with a mass loss of 7.6% compared with the theoretical mass loss of 7.7%. A strong Raman band at 852 cm-1 is assigned to the SiO stretching vibration of the SiO3(OH) units. Two Raman bands at 914 and 953 cm-1 are attributed to the antisymmetric vibrations. Intense prominent peaks observed at 3487, 3502, 3509, 3521 and 3547 cm-1 are assigned to the OH stretching vibration of the SiO3(OH) units. The observation of multiple OH bands supports the concept of the non-equivalence of the OH units. Vibrational spectroscopy enables a detailed assessment of the molecular structure of poldervaartite.

Vibrational spectroscopy of NO^+(H_2O)_n: Evidence for the intracluster reaction NO^+(H_2O)_n→H_3O^+(H_2O)_(n-2)(HONO) at n≥4

OpenAIRE

Choi, Jong-Ho; Kuwata, Keith T.; Haas, Bernd-Michael; Cao, Yibin; Johnson, Matthew S.; Okumura, Mitchio

1994-01-01

Infrared spectra of mass‐selected clusters NO^+(H_2O)_n for n=1 to 5 were recorded from 2700 to 3800 cm^(−1) by vibrational predissociation spectroscopy. Vibrational frequencies and intensities were also calculated for n=1 and 2 at the second‐order Møller–Plesset (MP2) level, to aid in the interpretation of the spectra, and at the singles and doubles coupled cluster (CCSD) level energies of n=1 isomers were computed at the MP2 geometries. The smaller clusters (n=1 to 3) were complexes of H_2O...

Development of a distributed polarization-OTDR to measure two vibrations with the same frequency

Science.gov (United States)

Pan, Yun; Wang, Feng; Wang, Xiangchuan; Zhang, Mingjiang; Zhou, Ling; Sun, Zhenqing; Zhang, Xuping

2015-08-01

A polarization optical time-domain reflectometer (POTDR) can distributedly measure the vibration of fiber by detecting the vibration induced polarization variation only with a polarization analyzer. It has great potential in the monitoring of the border intrusion, structural healthy, anti-stealing of pipeline and so on, because of its simple configuration, fast response speed and distributed measuring ability. However, it is difficult to distinguish two vibrations with the same frequency for POTDR because the signal induced by the first vibration would bury the other vibration induced signal. This paper proposes a simple method to resolve this problem in POTDR by analyzing the phase of the vibration induced signal. The effectiveness of this method in distinguishing two vibrations with the same frequency for POTDR is proved by simulation.

Electromagnetic energy harvesting from vibrations of multiple frequencies

International Nuclear Information System (INIS)

Yang Bin; Lee Chengkuo; Xie Jin; Han He, Johnny; Kotlanka, Rama Krishna; Feng Hanhua; Xiang Wenfeng; Low, Siew Ping

2009-01-01

A novel multi-frequency energy harvester has been designed and fabricated, which consists of three permanent magnets, three sets of two-layer copper coils and a supported beam of acrylic, while these coils are made of thin fire resistant 4 (FR4) substrates using a standard printed circuit board. The energy under the first, second and third resonant modes can be harvested, corresponding to the resonant frequencies of 369 Hz, 938 Hz and 1184 Hz, respectively. The maximum output voltage and power of the first and second vibration modes are 1.38 mV, 0.6 µW and 3.2 mV, 3.2 µW for a 14 µm exciting vibration amplitude and a 0.4 mm gap between the magnet and coils, respectively. The feasibility study results are in good agreement with the theoretical calculations and show promising application potentials

Structure-borne sound structural vibrations and sound radiation at audio frequencies

CERN Document Server

Cremer, L; Petersson, Björn AT

2005-01-01

Structure-Borne Sound"" is a thorough introduction to structural vibrations with emphasis on audio frequencies and the associated radiation of sound. The book presents in-depth discussions of fundamental principles and basic problems, in order to enable the reader to understand and solve his own problems. It includes chapters dealing with measurement and generation of vibrations and sound, various types of structural wave motion, structural damping and its effects, impedances and vibration responses of the important types of structures, as well as with attenuation of vibrations, and sound radi

The Influence of Various Vibration Frequency on Barium Sulfate Scale Formation Of Vibrated Piping System In The Presence Citric Acid

Science.gov (United States)

Karaman, N.; Mangestiyono, W.; Muryanto, S.; Jamari, J.; Bayuseno, A. P.

2018-01-01

In this paper, the influence of vibrated piping system for BaSO4 scale formation was investigated. The vibration frequency and presence of citric acid were independent variables determining the kinetics, mass deposit and polymorph of the crystals. Correspondingly, induction time and mass of scale were obtained during the experiments. The crystalline scale was observed by scanning electron microscopy (SEM) and X-Ray Diffraction (XRD) to investigate the morphology and the phase mineral deposits, respectively. This effect indicated that the increase in vibration frequency promoted the increased deposition rate, while the pure barite with a plate-like morphology was produced in the experiments.

Resonant frequency function of thickness-shear vibrations of rectangular crystal plates.

Science.gov (United States)

Wang, Ji; Yang, Lijun; Pan, Qiaoqiao; Chao, Min-Chiang; Du, Jianke

2011-05-01

The resonant frequencies of thickness-shear vibrations of quartz crystal plates in rectangular and circular shapes are always required in the design and manufacturing of quartz crystal resonators. As the size of quartz crystal resonators shrinks, for rectangular plates we must consider effects of both length and width for the precise calculation of resonant frequency. Starting from the three-dimensional equations of wave propagation in finite crystal plates and the general expression of vibration modes, we obtained the relations between frequency and wavenumbers. By satisfying the major boundary conditions of the dominant thickness-shear mode, three wavenumber solutions are obtained and the frequency equation is constructed. It is shown the resonant frequency of thickness-shear mode is a second-order polynomial of aspect ratios. This conforms to known results in the simplest form and is applicable to further analytical and experimental studies of the frequency equation of quartz crystal resonators.

Application of high-resolution photoelectron spectroscopy: Vibrational resolved C 1s and O 1s spectra of CO adsorbed on Ni(100)

Energy Technology Data Exchange (ETDEWEB)

Foehlisch, A.; Nilsson, A.; Martensson, N. [Uppsala Univ. (Sweden)] [and others

1997-04-01

There are various effects which determine the line shape of a core-level electron spectrum. These are due to the finite life-time of the core hole, inelastic scattering of the outgoing photoelectron, electronic shake-up and shake-off processes and vibrational excitations. For free atoms and molecules the different contributions to the observed line shapes can often be well separated. For solids, surfaces and adsorbates the line shapes are in general much broader and it has in the past been assumed that no separation of the various contributions can be made. In the present report the authors will show that this is indeed not the case. Surprisingly, the vibrational fine structure of CO adsorbed on Ni(100) can be resolved in the C 1s and O 1s electron spectra. This was achieved by the combination of highly monochromatized soft X-rays from B18.0 with a high resolution Scienta 200 mm photoelectron spectrometer. X-ray photoelectron spectroscopy (XPS) with tunable excitation energy yields as a core level spectroscopy atomic and site-specific information. The presented measurements allow for a determination of internuclear distances and potential energy curves in corehole ionized adsorbed molecules. The authors analysis of the c(2x2) phase CO/Ni(100) on {open_quotes}top{close_quotes} yielded a vibrational splitting of 217 +/- 2 meV for C 1s ionization. For O 1s ionization a splitting of 173 +/- 8 meV was found.

MOLECULAR STRUCTURE AND VIBRATIONAL FREQUENCIES OF

Directory of Open Access Journals (Sweden)

Fatih UCUN

2009-02-01

Full Text Available Abstract: The molecular structure, vibrational frequencies and the corresponding assignments of N-aminophthalimide (NAPH in the ground state have been calculated using the Hartree-Fock (HF and density functional methods (B3LYP with 6-31G (d, p basis set. The calculations were utilized in the CS symmetry of NAPH. The obtained vibrational frequencies and optimized geometric parameters (bond lengths and bond angles were seen to be in good agreement with the experimental data. The comparison of the observed and calculated results showed that B3LYP is superior to the scaled HF method. Theoretical infrared intensities and Raman activities were also reported. Key words: N-aminophthalimide; vibrations; IR spectra; Raman spectra; HF; DFT N-AMİNOFİTALOMİD'İN MOLEKÜLER YAPISI VE TİTREŞİM FREKANSLARI Özet: Temel haldeki N-aminofitalamidin (NAPH moleküler yapısı, titreşim frekansları ve uygun mod tanımlamaları, 6-31 G (d, p temel setli Hartree-Fock (HF ve yoğunluk fonksiyonu metodları (B3LYP kullanılarak hesaplandı. Hesaplamalar, NAPH'ın CS simetrisine uyarlandı. Elde edilen titreşim frekansları ve optimize geometrik parametreleri (bağ uzunlukları ve bağ açıları, deneysel değerlerle iyi bir uyum içinde olduğu görüldü. Deneysel ve teorik sonuçların karşılaştırılması, B3LYP'nin HF metodundan daha üstün olduğunu gösterdi. Ayrıca teorik infrared şiddetleri ve Raman aktiviteleri verildi. Anahtar Kelimeler: N-aminofitalamidin; titreşimler; IR spektrumu; Raman Spektrumu; HF; DFT

Experimental investigation on low-frequency vibration assisted micro-WEDM of Inconel 718

Directory of Open Access Journals (Sweden)

Deepak Rajendra Unune

2017-02-01

Full Text Available The micro-wire electric discharge machining (micro-WEDM has emerged as the popular micromachining processes for fabrication of micro-features. However, the low machining rate and poor surface finish are restricting wide applications of this process. Therefore, in this study, an attempt was made to improve machining rate of micro-WEDM with low-frequency workpiece vibration assistance. The gap voltage, capacitance, feed rate and vibrational frequency were chosen as control factors, whereas, the material removal rate (MRR and kerf width were selected as performance measures while fabricating microchannels in Inconel 718. It was observed that in micro-WEDM, the capacitance is the most significant factor affecting both MRR and kerf width. It was witnessed that the low-frequency workpiece vibration improves the performance of micro-WEDM by improving the MRR due to enhanced flushing conditions and reduced electrode-workpiece adhesion.

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.

A small-form-factor piezoelectric vibration energy harvester using a resonant frequency-down conversion

Energy Technology Data Exchange (ETDEWEB)

Sun, Kyung Ho; Kim, Young-Cheol [Department of System Dynamics, Korea Institute of Machinery and Materials, 156 Gajeongbuk-Ro, Yuseong-Gu, Daejeon 305-343 (Korea, Republic of); Kim, Jae Eun, E-mail: jekim@cu.ac.kr [School of Mechanical and Automotive Engineering, Catholic University of Daegu, 13-13 Hayang-Ro, Hayang-Eup, Gyeongsan-Si, Gyeongsangbuk-Do 712-702 (Korea, Republic of)

2014-10-15

While environmental vibrations are usually in the range of a few hundred Hertz, small-form-factor piezoelectric vibration energy harvesters will have higher resonant frequencies due to the structural size effect. To address this issue, we propose a resonant frequency-down conversion based on the theory of dynamic vibration absorber for the design of a small-form-factor piezoelectric vibration energy harvester. The proposed energy harvester consists of two frequency-tuned elastic components for lowering the first resonant frequency of an integrated system but is so configured that an energy harvesting beam component is inverted with respect to the other supporting beam component for a small form factor. Furthermore, in order to change the unwanted modal characteristic of small separation of resonant frequencies, as is the case with an inverted configuration, a proof mass on the supporting beam component is slightly shifted toward a second proof mass on the tip of the energy harvesting beam component. The proposed small-form-factor design capability was experimentally verified using a fabricated prototype with an occupation volume of 20 × 39 × 6.9 mm{sup 3}, which was designed for a target frequency of as low as 100 Hz.

A small-form-factor piezoelectric vibration energy harvester using a resonant frequency-down conversion

Directory of Open Access Journals (Sweden)

Kyung Ho Sun

2014-10-01

Full Text Available While environmental vibrations are usually in the range of a few hundred Hertz, small-form-factor piezoelectric vibration energy harvesters will have higher resonant frequencies due to the structural size effect. To address this issue, we propose a resonant frequency-down conversion based on the theory of dynamic vibration absorber for the design of a small-form-factor piezoelectric vibration energy harvester. The proposed energy harvester consists of two frequency-tuned elastic components for lowering the first resonant frequency of an integrated system but is so configured that an energy harvesting beam component is inverted with respect to the other supporting beam component for a small form factor. Furthermore, in order to change the unwanted modal characteristic of small separation of resonant frequencies, as is the case with an inverted configuration, a proof mass on the supporting beam component is slightly shifted toward a second proof mass on the tip of the energy harvesting beam component. The proposed small-form-factor design capability was experimentally verified using a fabricated prototype with an occupation volume of 20 × 39 × 6.9 mm3, which was designed for a target frequency of as low as 100 Hz.

An Analysis of the High Frequency Vibrations in Early Thematic Mapper Scenes

Science.gov (United States)

Kogut, J.; Larduinat, E.

1985-01-01

The motion of the mirrors in the thematic mapper (TM) and multispectral scanner (MSS) instruments, and the motion of other devices, such as the TDRSS antenna drive, and solar array drives onboard LANDSAT-4 cause vibrations to propagate through the spacecraft. These vibrations as well as nonlinearities in the scanning motion of the TM mirror can cause the TM detectors to point away from their nominal positions. Two computer programs, JITTER and SCDFT, were developed as part of the LANDSAT-D Assessment System (LAS), Products and Procedures Analysis (PAPA) program to evaluate the potential effect of high frequency vibrations on the final TM image. The maximum overlap and underlap which were observed for early TM scenes are well within specifications for the ground processing system. The cross scan and scan high frequency vibrations are also within the specifications cited for the flight system.

Low-Magnitude, High-Frequency Vibration Fails to Accelerate Ligament Healing but Stimulates Collagen Synthesis in the Achilles Tendon.

Science.gov (United States)

Thompson, William R; Keller, Benjamin V; Davis, Matthew L; Dahners, Laurence E; Weinhold, Paul S

2015-05-01

Low-magnitude, high-frequency vibration accelerates fracture and wound healing and prevents disuse atrophy in musculoskeletal tissues. To investigate the role of low-magnitude, high-frequency vibration as a treatment to accelerate healing of an acute ligament injury and to examine gene expression in the intact Achilles tendon of the injured limb after low-magnitude, high-frequency vibration. Controlled laboratory study. Complete surgical transection of the medial collateral ligament (MCL) was performed in 32 Sprague-Dawley rats, divided into control and low-magnitude, high-frequency vibration groups. Low-magnitude, high-frequency vibration started on postoperative day 2, and rats received vibration for 30 minutes a day for 12 days. All rats were sacrificed 2 weeks after the operation, and their intact and injured MCLs were biomechanically tested or used for histological analysis. Intact Achilles tendons from the injured limb were evaluated for differences in gene expression. Mechanical testing revealed no differences in the ultimate tensile load or the structural stiffness between the control and vibration groups for either the injured or intact MCL. Vibration exposure increased gene expression of collagen 1 alpha (3-fold), interleukin 6 (7-fold), cyclooxygenase 2 (5-fold), and bone morphogenetic protein 12 (4-fold) in the intact Achilles tendon when compared with control tendons ( P frequency vibration treatment, significant enhancements in gene expression were observed in the intact Achilles tendon. These included collagen, several inflammatory cytokines, and growth factors critical for tendons. As low-magnitude, high-frequency vibration had no negative effects on ligament healing, vibration therapy may be a useful tool to accelerate healing of other tissues (bone) in multitrauma injuries without inhibiting ligament healing. Additionally, the enhanced gene expression in response to low-magnitude, high-frequency vibration in the intact Achilles tendon suggests the

A wideband, frequency up-converting bounded vibration energy harvester for a low-frequency environment

International Nuclear Information System (INIS)

Ashraf, K; Md Khir, M H; Baharudin, Z; Dennis, J O

2013-01-01

This paper presents a bounded vibration energy harvester to effectively harvest energy from a wide band of low-frequency environmental vibrations ranging from 10 to 18 Hz. Rigid mechanical stoppers are used to confine the seismic mass movement within the elastic limits of the spring. Experimental results show the effectiveness of the proposed technique in increasing the efficiency of the energy harvester. When excited at a frequency of 10 Hz with a peak acceleration of 1 g, the harvester responds at a higher frequency of 20 Hz and gives a peak power of 2.68 mW and a peak to peak voltage of 2.62 V across a load of 220 Ω. The average power density of 65.74 μW cm −3 obtained at 10 Hz 1 g excitation monotonically increases with frequency up to 341.86 μW cm −3 at 18 Hz. An analytical model describing the nonlinear dynamics of the proposed harvester is also presented. A simple technique to estimate the energy losses during impact and thereof a method to incorporate these losses in the model are suggested. The presented model not only predicts the experimental voltage waveform and frequency response of the device with good similarity but also predicts the RMS voltage from the harvester for the whole range of operating frequencies with an RMS error of 5.2%. (paper)

Crystal structure, vibrational and DFT simulation studies of melaminium dihydrogen phosphite monohydrate

Science.gov (United States)

Arjunan, V.; Kalaivani, M.; Marchewka, M. K.; Mohan, S.

2013-08-01

The crystal structure investigations of melamine with phosphorous acid, namely melaminium dihydrogenphosphite monohydrate (C3N6H7·H2PO3·H2O) have been investigated by means of single crystal X-ray diffraction method. The title compound crystallizes in monoclinic crystal system, and the space group is P21/c with a = 10.069 Å, b = 21.592 Å, c = 12.409 Å and Z = 12. The vibrational assignments and analysis of melaminium dihydrogen phosphite monohydrate have also been performed by FTIR, FT-Raman and far-infrared spectral studies. The quantum chemical simulations were performed with DFT (B3LYP) method using 6-31G**, cc-pVTZ, and 6-311++G** basis sets to determine the energy, structural, thermodynamic parameters and vibrational frequencies of melaminium dihydrogen phosphite monohydrate. The hydrogen atom from phosphorous acid was transferred to the melamine molecule giving the singly protonated melaminium cation. The ability of ions to form spontaneous three-dimensional structure through weak Osbnd H···O and Nsbnd H···O hydrogen bonds shows notable vibrational effects.

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)

Molecular Structure And Vibrational Frequencies of Tetrafluoro isophthalonitrile By Hartree-Fock And Density Functional Theory Calculations

International Nuclear Information System (INIS)

Ayikoglu, A.

2008-01-01

The molecular structure, vibrational frequencies and corresponding vibrational assignments of tetrafluoro isophthalonitrile (TFPN) in the ground state have been calculated using the Hartree-Fock (HF) and density functional methods (B3LYP) with 6-311++G (d, p) basis set. The calculations were utilized in the CS symmetry of TFPN. The obtained vibrational frequencies and optimized geometric parameters (bond lengths and bond angles) were seen to be in good agreement with the experimental data. The comparison of the observed and calculated results showed that the B3LYP method is superior to the HF method for both the vibrational frequencies and geometric parameters

Relationship of the vibrational frequency of the uranyl ion with the uranium electronegativity

International Nuclear Information System (INIS)

Rodriguez S, A.; Martinez Q, E.

1990-07-01

It has been demonstrated that the vibrational asymmetric frequency of the uranyl ion, it experiences a consistent spectrochemical displacement with the variations of electronegativity of the uranium in their complexes. The values of the electronegativity of the uranium they were dear by means of calculations that it involves measures of those lengths of the connection uranium-oxygen, obtained by vibrational spectroscopy, effective nuclear charges and the Allred and Rochow equation. The results show the evidence of a natural order that relates to the vibrational frequency with the electronegativity of the uranium atom; settling down that if the electronegativity is graph against it bond length to the oxygen or to it frequency value, a simple relationship is obtained as a form to obtain clear responses in absence of complementary information. (Author)

Effect of vibration frequency on microstructure and performance of high chromium cast iron prepared by lost foam casting

Directory of Open Access Journals (Sweden)

Wen-qi Zou

2016-07-01

Full Text Available In the present research, high chromium cast irons (HCCIs were prepared using the lost foam casting (LFC process. To improve the wear resistance of the high chromium cast irons (HCCIs, mechanical vibration was employed during the solidification of the HCCIs. The effects of vibration frequency on the microstructure and performance of the HCCIs under as-cast, as-quenched and as-tempered conditions were investigated. The results indicated that the microstructures of the LFC-produced HCCIs were refined due to the introduction of mechanical vibration, and the hardness was improved compared to that of the alloy without vibration. However, only a slight improvement in hardness was found in spite of the increase of vibration frequency. In contrast, the impact toughness of the as-tempered HCCIs increased with an increase in the vibration frequency. In addition, the wear resistance of the HCCIs was improved as a result of the introduction of vibration and increased with an increase in the vibration frequency.

Nonlinear Vibration of Oscillation Systems using Frequency-Amplitude Formulation

Directory of Open Access Journals (Sweden)

A. Fereidoon

2012-01-01

Full Text Available In this paper we study the periodic solutions of free vibration of mechanical systems with third and fifth-order nonlinearity for two examples using He's Frequency-Amplitude Formulation (HFAF.The effectiveness and convenience of the method is illustrated in these examples. It will be shown that the solutions obtained with current method have a fabulous conformity with those achieved from time marching solution. HFAF is easy with powerful concepts and the high accuracy, so it can be found widely applicable in vibrations, especially strong nonlinearity oscillatory problems.

Vibration-tolerant narrow-linewidth semiconductor disk laser using novel frequency-stabilisation schemes

Science.gov (United States)

Hunter, Craig R.; Jones, Brynmor E.; Schlosser, Peter; Sørensen, Simon Toft; Strain, Michael J.; McKnight, Loyd J.

2018-02-01

This paper will present developments in narrow-linewidth semiconductor-disk-laser systems using novel frequencystabilisation schemes for reduced sensitivity to mechanical vibrations, a critical requirement for mobile applications. Narrow-linewidth single-frequency lasers are required for a range of applications including metrology and highresolution spectroscopy. Stabilisation of the laser was achieved using a monolithic fibre-optic ring resonator with free spectral range of 181 MHz and finesse of 52 to act as passive reference cavity for the laser. Such a cavity can operate over a broad wavelength range and is immune to a wide band of vibrational frequency noise due to its monolithic implementation. The frequency noise of the locked system has been measured and compared to typical Fabry-Perotlocked lasers using vibration equipment to simulate harsh environments, and analysed here. Locked linewidths of portable, narrow-linewidth laser system for harsh environments that can be flexibly designed for a range of applications.

Coupled analysis of multi-impact energy harvesting from low-frequency wind induced vibrations

Science.gov (United States)

Zhu, Jin; Zhang, Wei

2015-04-01

Energy need from off-grid locations has been critical for effective real-time monitoring and control to ensure structural safety and reliability. To harvest energy from ambient environments, the piezoelectric-based energy-harvesting system has been proven very efficient to convert high frequency vibrations into usable electrical energy. However, due to the low frequency nature of the vibrations of civil infrastructures, such as those induced from vehicle impacts, wind, and waves, the application of a traditional piezoelectric-based energy-harvesting system is greatly restrained since the output power drops dramatically with the reduction of vibration frequencies. This paper focuses on the coupled analysis of a proposed piezoelectric multi-impact wind-energy-harvesting device that can effectively up-convert low frequency wind-induced vibrations into high frequency ones. The device consists of an H-shape beam and four bimorph piezoelectric cantilever beams. The H-shape beam, which can be easily triggered to vibrate at a low wind speed, is originated from the first Tacoma Narrows Bridge, which failed at wind speeds of 18.8 m s-1 in 1940. The multi-impact mechanism between the H-shape beam and the bimorph piezoelectric cantilever beams is incorporated to improve the harvesting performance at lower frequencies. During the multi-impact process, a series of sequential impacts between the H-shape beam and the cantilever beams can trigger high frequency vibrations of the cantilever beams and result in high output power with a considerably high efficiency. In the coupled analysis, the coupled structural, aerodynamic, and electrical equations are solved to obtain the dynamic response and the power output of the proposed harvesting device. A parametric study for several parameters in the coupled analysis framework is carried out including the external resistance, wind speed, and the configuration of the H-shape beam. The average harvested power for the piezoelectric cantilever

Frequency Equations for the In-Plane Vibration of Circular Annular Disks

Directory of Open Access Journals (Sweden)

S. Bashmal

2010-01-01

Full Text Available This paper deals with the in-plane vibration of circular annular disks under combinations of different boundary conditions at the inner and outer edges. The in-plane free vibration of an elastic and isotropic disk is studied on the basis of the two-dimensional linear plane stress theory of elasticity. The exact solution of the in-plane equation of equilibrium of annular disk is attainable, in terms of Bessel functions, for uniform boundary conditions. The frequency equations for different modes can be obtained from the general solutions by applying the appropriate boundary conditions at the inner and outer edges. The presented frequency equations provide the frequency parameters for the required number of modes for a wide range of radius ratios and Poisson's ratios of annular disks under clamped, free, or flexible boundary conditions. Simplified forms of frequency equations are presented for solid disks and axisymmetric modes of annular disks. Frequency parameters are computed and compared with those available in literature. The frequency equations can be used as a reference to assess the accuracy of approximate methods.

Electrostatic energy harvesting device with dual resonant structure for wideband random vibration sources at low frequency.

Science.gov (United States)

Zhang, Yulong; Wang, Tianyang; Zhang, Ai; Peng, Zhuoteng; Luo, Dan; Chen, Rui; Wang, Fei

2016-12-01

In this paper, we present design and test of a broadband electrostatic energy harvester with a dual resonant structure, which consists of two cantilever-mass subsystems each with a mass attached at the free edge of a cantilever. Comparing to traditional devices with single resonant frequency, the proposed device with dual resonant structure can resonate at two frequencies. Furthermore, when one of the cantilever-masses is oscillating at resonance, the vibration amplitude is large enough to make it collide with the other mass, which provides strong mechanical coupling between the two subsystems. Therefore, this device can harvest a decent power output from vibration sources at a broad frequency range. During the measurement, continuous power output up to 6.2-9.8 μW can be achieved under external vibration amplitude of 9.3 m/s 2 at a frequency range from 36.3 Hz to 48.3 Hz, which means the bandwidth of the device is about 30% of the central frequency. The broad bandwidth of the device provides a promising application for energy harvesting from the scenarios with random vibration sources. The experimental results indicate that with the dual resonant structure, the vibration-to-electricity energy conversion efficiency can be improved by 97% when an external random vibration with a low frequency filter is applied.

Calculation of vibrational frequencies through a variational reduced-coupling approach.

Science.gov (United States)

Scribano, Yohann; Benoit, David M

2007-10-28

In this study, we present a new method to perform accurate and efficient vibrational configuration interaction computations for large molecular systems. We use the vibrational self-consistent field (VSCF) method to compute an initial description of the vibrational wave function of the system, combined with the single-to-all approach to compute a sparse potential energy surface at the chosen ab initio level of theory. A Davidson scheme is then used to diagonalize the Hamiltonian matrix built on the VSCF virtual basis. Our method is applied to the computation of the OH-stretch frequency of formic acid and benzoic acid to demonstrate the efficiency and accuracy of this new technique.

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

Dispersion of low frequency vibrations in the deuterated naphthalene crystal

International Nuclear Information System (INIS)

Bokhenkov, E.L.; Sheka, E.; Natkaniec, I.

1977-01-01

The dispersion curves of the lattice vibrations and of the two lowest intramolecular vibrations in d 8 -naphthalene (C 10 D 8 ) crystal have been measured by coherent inelastic neutron scattering for the [010] and the [100] directions at the temperature of 98 K and partially at 5 K. The results are compared with calculations based on the Kitaigorodskii parameters for C-C, C-H and H-H interactions in organic molecular crystals. (author)

Molecular-level mechanisms of vibrational frequency shifts in a polar liquid.

Science.gov (United States)

Morales, Christine M; Thompson, Ward H

2011-06-16

A molecular-level analysis of the origins of the vibrational frequency shifts of the CN stretching mode in neat liquid acetonitrile is presented. The frequency shifts and infrared spectrum are calculated using a perturbation theory approach within a molecular dynamics simulation and are in good agreement with measured values reported in the literature. The resulting instantaneous frequency of each nitrile group is decomposed into the contributions from each molecule in the liquid and by interaction type. This provides a detailed picture of the mechanisms of frequency shifts, including the number of surrounding molecules that contribute to the shift, the relationship between their position and relative contribution, and the roles of electrostatic and van der Waals interactions. These results provide insight into what information is contained in infrared (IR) and Raman spectra about the environment of the probed vibrational mode. © 2011 American Chemical Society

Frequencies in the Vibration Induced by the Rotor Stator Interaction in a Centrifugal Pump Turbine

DEFF Research Database (Denmark)

Rodriguez, Cristian; Egusquiza, Eduard; Santos, Ilmar

2007-01-01

The highest vibration levels in large pump turbines are, in general, originated in the rotor stator interaction (RSI). This vibration has specific characteristics that can be clearly observed in the frequency domain: harmonics of the moving blade passing frequency and a particular relationship am...

Research of hydroelectric generating set low-frequency vibration monitoring system based on optical fiber sensing

Science.gov (United States)

Min, Li; Zhang, Xiaolei; Zhang, Faxiang; Sun, Zhihui; Li, ShuJuan; Wang, Meng; Wang, Chang

2017-10-01

In order to satisfy hydroelectric generating set low-frequency vibration monitoring, the design of Passive low-frequency vibration monitoring system based on Optical fiber sensing in this paper. The hardware of the system adopts the passive optical fiber grating sensor and unbalanced-Michelson interferometer. The software system is used to programming by Labview software and finishing the control of system. The experiment show that this system has good performance on the standard vibration testing-platform and it meets system requirements. The frequency of the monitoring system can be as low as 0.2Hz and the resolution is 0.01Hz.

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

International Nuclear Information System (INIS)

Alexeenko, Igor; Gusev, Michael; Gurevich, Vadim

2009-01-01

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

Sensitivity analysis of the stiffness between the frame structure and the frequency and vibration mode

Science.gov (United States)

Chen, Wenyuan

2018-03-01

The modal parameters such as natural frequency and vibration mode of the frame structure of the layer stiffness sensitivity is inconsistent. This article focuses on the theoretical derivation of the frequency and mode of the frame structure layer stiffness of the first-order sensitivity. The numerical examples show that the frame structure of layer stiffness higher than with the first order sensitivity vibration frequency.

Vibration-induced particle formation during yogurt fermentation-Effect of frequency and amplitude.

Science.gov (United States)

Körzendörfer, Adrian; Temme, Philipp; Schlücker, Eberhard; Hinrichs, Jörg; Nöbel, Stefan

2018-05-01

Machinery such as pumps used for the commercial production of fermented milk products cause vibrations that can spread to the fermentation tanks. During fermentation, such vibrations can disturb the gelation of milk proteins by causing texture defects including lumpiness and syneresis. To study the effect of vibrations on yogurt structure systematically, an experimental setup was developed consisting of a vibration exciter to generate defined vibrational states and accelerometers for monitoring. During the fermentation of skim milk, vibrations (frequency sweep: 25 to 1,005 Hz) were introduced at different pH (5.7 to 5.1, step width 0.1 units) for 200 s. Physical properties of set gels (syneresis, firmness) and resultant stirred yogurts (visible particles, rheology, laser diffraction) were analyzed. Vibrational treatments at pH 5.5 to 5.2 increased syneresis, gel firmness, and the number of large particles (d > 0.9 mm); hence, this period was considered critical. The particle number increased from 34 ± 5 to 242 ± 16 particles per 100 g of yogurt due to vibrations at pH 5.4. In further experiments, yogurts were excited with fixed frequencies (30, 300, and 1,000 Hz). All treatments increased syneresis, firmness, and particle formation. As the strongest effect was observed by applying 30 Hz, the amplitude was set to vibration accelerations of a = 5, 10, 15, 20, and 25 m/s 2 in the final experiments. The number of large particles was increased due to each treatment and a positive correlation with the amplitude was found. We concluded that vibrations during gelation increase the collision probability of aggregating milk proteins, resulting in a compressed set gel with syneresis. Resultant stirred yogurts exhibit large particles with a compact structure leading to a reduced water-holding capacity and product viscosity. Copyright © 2018 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Energy Expenditure and Substrate Oxidation in Response to Side-Alternating Whole Body Vibration across Three Commonly-Used Vibration Frequencies.

Directory of Open Access Journals (Sweden)

Elie-Jacques Fares

Full Text Available There is increasing recognition about the importance of enhancing energy expenditure (EE for weight control through increases in low-intensity physical activities comparable with daily life (1.5-4 METS. Whole-body vibration (WBV increases EE modestly and could present both a useful adjuvant for obesity management and tool for metabolic phenotyping. However, it is unclear whether a "dose-response" exists between commonly-used vibration frequencies (VF and EE, nor if WBV influences respiratory quotient (RQ, and hence substrate oxidation. We aimed to investigate the EE-VF and RQ-VF relationships across three different frequencies (30, 40, and 50Hz.EE and RQ were measured in 8 healthy young adults by indirect calorimetry at rest, and subsequently during side-alternating WBV at one of 3 VFs (30, 40, and 50 Hz. Each frequency was assessed over 5 cycles of intermittent WBV (30s vibration/30s rest, separated by 5 min seated rest. During the WBV participants stood on the platform with knees flexed sufficiently to maintain comfort, prevent transmission of vibration to the upper body, and minimise voluntary physical exertion. Repeatability was assessed across 3 separate days in a subset of 4 individuals. In order to assess any sequence/habituation effect, an additional group of 6 men underwent 5 cycles of intermittent WBV (30s vibration/30s rest at 40 Hz, separated by 5 min seated rest.Side-alternating WBV increased EE relative to standing, non-vibration levels (+36%, p<0.001. However, no differences in EE were observed across VFs. Similarly, no effect of VF on RQ was found, nor did WBV alter RQ relative to standing without vibration.No relationship could be demonstrated between EE and VF in the range of 30-50Hz, and substrate oxidation did not change in response to WBV. Furthermore, the thermogenic effect of intermittent WBV, whilst robust, was quantitatively small (<2 METS.

An extension of command shaping methods for controlling residual vibration using frequency sampling

Science.gov (United States)

Singer, Neil C.; Seering, Warren P.

1992-01-01

The authors present an extension to the impulse shaping technique for commanding machines to move with reduced residual vibration. The extension, called frequency sampling, is a method for generating constraints that are used to obtain shaping sequences which minimize residual vibration in systems such as robots whose resonant frequencies change during motion. The authors present a review of impulse shaping methods, a development of the proposed extension, and a comparison of results of tests conducted on a simple model of the space shuttle robot arm. Frequency shaping provides a method for minimizing the impulse sequence duration required to give the desired insensitivity.

Adsorption of F{sub 2}C=CFCl on TiO{sub 2} nano-powder: Structures, energetics and vibrational properties from DRIFT spectroscopy and periodic quantum chemical calculations

Energy Technology Data Exchange (ETDEWEB)

Tasinato, Nicola, E-mail: tasinato@unive.it; Moro, Daniele; Stoppa, Paolo; Pietropolli Charmet, Andrea; Toninello, Piero; Giorgianni, Santi

2015-10-30

Graphical abstract: - Highlights: • Adsorption of F{sub 2}C=CFCl on TiO{sub 2} unveiled by DRIFTS and periodic DFT. • Structural, energetic and vibrational properties of F{sub 2}C=CFCl @ anatase (1 0 1). • Binding energies (B3LYP-D2) between −17 and −46 kJ mol{sup −1} depending on the anchor point. • Theory and experiment converge on the CF{sub 2} moiety as the main anchor point. - Abstract: Photodegradation over titanium dioxide (TiO{sub 2}) is a very appealing technology for removing environmental pollutants from the air, the adsorption interaction being the first step of the whole reaction pathway. In the present work the adsorption of F{sub 2}C=CFCl (chlorotrifluoroethene, halon 1113), a compound used by industry and detected in the atmosphere, on a commercial TiO{sub 2} nano-powder is investigated experimentally by in situ DRIFT spectroscopy and theoretically through periodic ab initio calculations rooted in DFT. The spectra of the adsorbed molecule suggest that the anchoring to the surface mainly takes place through F atoms. Theoretically, five adsorption configurations for the molecule interacting with the anatase (1 0 1) surface are simulated at B3LYP level and for each of them, structures, binding energies and vibrational frequencies are derived. The interplay between theory and experiments shows the coexistence of different adsorption configurations, the foremost ones featuring the interaction of one F atom with a fivefold coordinated Ti{sup 4+} of the surface. These two adsorption models, which mostly differ for the orientation of the adsorbate with respect to the surface, feature a binding energy of −45.6 and −41.0 kJ mol{sup −1} according to dispersion corrected DFT calculations. The favorable adsorption interaction appears as an important requirement toward the application of titanium dioxide technologies for the photocatalytic degradation of halon 1113.

Vibrational relaxation of a triatomic molecular impurity: D2O in vitreous As2S3

International Nuclear Information System (INIS)

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

1995-01-01

Measurements of the relaxation of the D 2 O stretch mode in vitreous As 2 S 3 are presented. Because the bending mode of the molecule offers an intra-molecular decay channel for the stretch mode, the decay scheme of the D 2 O molecule is more complex than that of diatomic molecules. The asymmetric stretch mode of D 2 O has a frequency of 2680 cm -1 . To study the relaxation of this mode we applied a pump-probe technique, using intense psec; pulses of the Stanford Free Electron Laser. Due to the small cross-section of the vibrational mode, successful efforts were made to improve the signal to noise ratio by using a laser stabilization system and a tightly focused beam to increase the intensity, by averaging the signal with a kHz repetition rate and by using samples with an optimized D 2 O concentration. A rapid relaxation rate on the order of 5 x 10 9 sec -1 at low temperature is found that increases with temperature. Recalling that the bending mode of the D 2 O molecule has a frequency of 1170 cm -1 , one would expect a decay in a third order process, involving two quanta of the bending mode plus a vibrational host quanta with a frequency of 340 cm -1 , which coincides with a fundamental frequency of the pyramidal building blocks of the glassy As 2 S 3 host. Instead, we find from the temperature dependence of the relaxation rate that the D 2 O stretching mode relaxes in a higher order process. This indicates that the relaxation dynamics of small molecules is more complex than generally assumed

Design and fabrication of a double-sided piezoelectric transducer for harvesting vibration power

Energy Technology Data Exchange (ETDEWEB)

Chang, Wei-Tsai; Chen, Ying-Chung [Department of Electrical Engineering, National Sun Yat-Sen University, Kaohsiung, Taiwan, ROC (China); Kao, Kuo-Sheng [Department of Computer and Communication, Shu-Te University, Kaohsiung, Taiwan, ROC (China); Chu, Yu-Hsien [Department of Electrical Engineering, National Sun Yat-Sen University, Kaohsiung, Taiwan, ROC (China); Cheng, Chien-Chuan, E-mail: chengccc@dlit.edu.tw [Department of Electronic Engineering, De Lin Institute of Technology, Taipei, Taiwan, ROC (China)

2013-02-01

This investigation examines a means of integrating high-performance ZnO piezoelectric thin films with a flexible stainless steel substrate (SUS304) to fabricate a double-sided piezoelectric transducer for vibration-energy harvesting applications. The double-sided piezoelectric transducer is constructed by depositing ZnO piezoelectric thin films on both the front and the back sides of the SUS304 substrate. The titanium and platinum layers were deposited using a dual-gun DC sputtering system between the ZnO piezoelectric thin film and the back side of the SUS304 substrate. The scanning electron microscopy and X-ray diffraction of ZnO piezoelectric films reveal a rigid surface structure and a highly c-axis-preferring orientation. To fabricate a transducer with a low resonant frequency, a tip-mass of 0.5 g and a vibration-area of 1 cm{sup 2} are designed, based on the cantilever vibration theory. The maximum open circuit voltage of the power transducer is approximately 18 V. After rectification and filtering through a 33 nF capacitor, a specific power output of 1.31 μW/cm{sup 2} is obtained from the transducers with a load resistance of 6 MΩ. The variation of the power output of ± 0.001% is obtained after 24-hour continuous test. - Highlights: ► A double-sided piezoelectric transducer is fabricated with the ZnO thin films. ► Vibrated frequency of a double-sided transducer is designed and presented. ► A maximum output power of 3.23 μW/cm{sup 2} is obtained under turbulent vibration.

The effect of classical and quantum dynamics on vibrational frequency shifts of H2 in clathrate hydrates

International Nuclear Information System (INIS)

Plattner, Nuria; Meuwly, Markus

2014-01-01

Vibrational frequency shifts of H 2 in clathrate hydrates are important to understand the properties and elucidate details of the clathrate structure. Experimental spectra of H 2 in clathrate hydrates have been measured for different clathrate compositions, temperatures, and pressures. In order to establish reliable relationships between the clathrate structure, dynamics, and observed frequencies, calculations of vibrational frequency shifts in different clathrate environments are required. In this study, a combination of classical molecular dynamics simulations, electronic structure calculations, and quantum dynamical simulation is used to calculate relative vibrational frequencies of H 2 in clathrate hydrates. This approach allows us to assess dynamical effects and simulate the change of vibrational frequencies with temperature and pressure. The frequency distributions of the H 2 vibrations in the different clathrate cage types agree favorably with experiment. Also, the simulations demonstrate that H 2 in the 5 12 cage is more sensitive to the details of the environment and to quantum dynamical effects, in particular when the cage is doubly occupied. We show that for the 5 12 cage quantum effects lead to frequency increases and double occupation is unlikely. This is different for the 5 12 6 4 cages for which higher occupation numbers than one H 2 per cage are likely

Interrogating the vibrational relaxation of highly excited polyatomics with time-resolved diode laser spectroscopy: C6H6, C6D6, and C6F6+CO2

International Nuclear Information System (INIS)

Sedlacek, A.J.; Weston, R.E. Jr.; Flynn, G.W.

1991-01-01

The vibrational relaxation of highly excited ground state benzene, benzene d 6 , and hexafluorobenzene by CO 2 has been investigated with high resolution diode laser spectroscopy. The vibrationally hot polyatomics are formed by single photon 248 nm excitation to the S 1 state followed by rapid radiationless transitions. It has been found that in all cases less than 1% of the energy initially present in the polyatomics is deposited into the high frequency mode of CO 2 (ν 3 ). An investigation of the CO 2 (00 0 1) nascent rotational distribution under single collision conditions reveals that very little rotational excitation accompanies vibrational energy transfer to the ν 3 mode. The CO 2 (ν 3 ) rotational states can be described by temperatures, T rot , as follows: C 6 H 6 , T rot =360±30 K; C 6 D 6 , T rot =350±35 K and C 6 F 6 , T rot =340±23 K. An estimate of left-angle ΔE right-angle ν3 , the mean energy transferred to the CO 2 ν 3 mode per collision, suggests that as the availability of low frequency modes in the excited molecule increases, less energy is deposited into the high frequency mode of CO 2 . Finally, evidence is presented suggesting that even at moderate laser fluences, the two-photon ionization of benzene can lead to substantial CO 2 ν 3 excitation via electron+CO 2 inelastic collisions

Numerical solutions of anharmonic vibration of BaO and SrO molecules

Energy Technology Data Exchange (ETDEWEB)

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

2016-03-11

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

Experimental Investigations on the Dynamic Behaviour of O-Type Wire-Cable Vibration Isolators

Directory of Open Access Journals (Sweden)

Hong-Xia Wang

2015-01-01

Full Text Available A series of periodic loading experiments were carried out on the O-type wire-cable vibration isolators. The isolators were loaded under shear, roll, and tension-compression loadings. When subjected to shear and roll loads, the restoring force-deformation curves generated by the isolators formed symmetric hysteresis loops. However, when the isolators were loaded with tension-compression loads, the isolator produced asymmetric hysteresis loops. It is found through the experiment that the dynamic characteristics of the isolator are determined by the loading amplitude as well as the geometric parameters of the isolator while they are almost independent of loading frequency within the testing frequency range. Based on the experimental data, the dynamic response of the isolator was modeled by a modified normalized Bouc-Wen model. The parameters of this model were identified through an identification procedure that does not involve any nonlinear iterative algorithms. Comparison between the identification results and the experimental data suggests that the identification method is effective. With the model and the identified parameters, the frequency response of an O-type wire-cable vibration isolator-mass system was evaluated. Typical nonlinear response behaviors were found when the isolator was used in tension-compression mode while the response appears to be similar to that of a linear system when the isolator was used in shear and roll mode.

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

Sum Frequency Generation Vibrational Spectroscopy of 1,3-Butadiene Hydrogenation on 4 nm Pt@SiO 2 , Pd@SiO 2 , and Rh@SiO 2 Core–Shell Catalysts

KAUST Repository

Krier, James M.; Michalak, William D.; Cai, Xiaojun; Carl, Lindsay; Komvopoulos, Kyriakos; Somorjai, Gabor A.

2015-01-01

NPs (Stöber encapsulation) prepared by colloidal synthesis. Sum frequency generation (SFG) vibrational spectroscopy was performed to correlate surface intermediates observed in situ with reaction selectivity. It is shown that calcination is effective

Dual resonant structure for energy harvesting from random vibration sources at low frequency

Directory of Open Access Journals (Sweden)

Shanshan Li

2016-01-01

Full Text Available We introduce a design with dual resonant structure which can harvest energy from random vibration sources at low frequency range. The dual resonant structure consists of two spring-mass subsystems with different frequency responses, which exhibit strong coupling and broad bandwidth when the two masses collide with each other. Experiments with piezoelectric elements show that the energy harvesting device with dual resonant structure can generate higher power output than the sum of the two separate devices from random vibration sources.

Local vibrational modes of the formic acid dimer - the strength of the double hydrogen bond

Science.gov (United States)

Kalescky, R.; Kraka, E.; Cremer, D.

2013-07-01

The 24 normal and 24 local vibrational modes of the formic acid dimer formed by two trans formic acid monomers to a ring (TT1) are analysed utilising preferentially experimental frequencies, but also CCSD(T)/CBS and ωB97X-D harmonic vibrational frequencies. The local hydrogen bond (HB) stretching frequencies are at 676 cm-1 and by this 482 and 412 cm-1 higher compared to the measured symmetric and asymmetric HB stretching frequencies at 264 and 194 cm-1. The adiabatic connection scheme between local and normal vibrational modes reveals that the lowering is due to the topology of dimer TT1, mass coupling, and avoided crossings involving the HṡṡṡOC bending modes. The HB local mode stretching force constant is related to the strength of the HB whereas the normal mode stretching force constant and frequency lead to an erroneous underestimation of the HB strength. The HB in TT1 is stabilised by electron delocalisation in the O=C-O units fostered by forming a ring via double HBs. This implies that the CO apart from the OH local stretching frequencies reflect the strength of the HB via their red or blue shifts relative to their corresponding values in trans formic acid.

First-Principles Studies of Pentaerythritol Tetranitrate (PETN) Single Crystal Unit Cell Volumes and Vibrational Frequencies under Hydrostatic Pressure

Science.gov (United States)

Perger, Warren F.; Zhao, Jijun; Winey, J. M.; Gupta, Y. M.

2006-07-01

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

Optical and vibrational properties of (ZnO){sub k} In{sub 2}O{sub 3} natural superlattice nanostructures

Energy Technology Data Exchange (ETDEWEB)

Margueron, Samuel [Laboratoire Matériaux Optiques, Photonique et Systèmes, Université de Lorraine et CentraleSupélec, 57070 Metz (France); John A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, Maryland 02138 (United States); Pokorny, Jan; Skiadopoulou, Stella; Kamba, Stanislav [Institute of Physics, Czech Academy of Sciences, Na Slovance 2, 182 21 Prague 8 (Czech Republic); Liang, Xin [School of Materials Science and Engineering, Changzhou University, Changzhou, Jiangsu Province 213164 (China); Clarke, David R. [John A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, Maryland 02138 (United States)

2016-05-21

A thermodynamically stable series of superlattices, (ZnO){sub k}In{sub 2}O{sub 3}, form in the ZnO-In{sub 2}O{sub 3} binary oxide system for InO{sub 1.5} concentrations from about 13 up to about 33 mole percent (m/o). These natural superlattices, which consist of a periodic stacking of single, two-dimensional sheets of InO{sub 6} octahedra, are found to give rise to systematic changes in the optical and vibrational properties of the superlattices. Low-frequency Raman scattering provides the evidence for the activation of acoustic phonons due to the folding of Brillouin zone. New vibrational modes at 520 and 620 cm{sup −1}, not present in either ZnO or In{sub 2}O{sub 3}, become Raman active. These new modes are attributed to collective plasmon oscillations localized at the two-dimensional InO{sub 1.5} sheets. Infrared reflectivity experiments, and simulations taking into account a negative dielectric susceptibility due to electron carriers in ZnO and interface modes of the dielectric layer of InO{sub 2}, explain the occurrence of these new modes. We postulate that a localized electron gas forms at the ZnO/InO{sub 2} interface due to the electron band alignment and polarization effects. All our observations suggest that there are quantum contributions to the thermal and electrical conductivity in these natural superlattices.

High-Pressure Catalytic Reactions of C6 Hydrocarbons on PlatinumSingle-Crystals and nanoparticles: A Sum Frequency Generation VibrationalSpectroscopic and Kinetic Study

Energy Technology Data Exchange (ETDEWEB)

Bratlie, Kaitlin [Univ. of California, Berkeley, CA (United States)

2007-01-01

Catalytic reactions of cyclohexene, benzene, n-hexane, 2-methylpentane, 3-methylpentane, and 1-hexene on platinum catalysts were monitored in situ via sum frequency generation (SFG) vibrational spectroscopy and gas chromatography (GC). SFG is a surface specific vibrational spectroscopic tool capable of monitoring submonolayer coverages under reaction conditions without gas-phase interference. SFG was used to identify the surface intermediates present during catalytic processes on Pt(111) and Pt(100) single-crystals and on cubic and cuboctahedra Pt nanoparticles in the Torr pressure regime and at high temperatures (300K-450K). At low pressures (<10^-6 Torr), cyclohexene hydrogenated and dehydrogenates to form cyclohexyl (C₆H₁₁) and π-allyl C₆H₉, respectively, on Pt(100). Increasing pressures to 1.5 Torr form cyclohexyl, π-allyl C₆H₉, and 1,4-cyclohexadiene, illustrating the necessity to investigate catalytic reactions at high-pressures. Simultaneously, GC was used to acquire turnover rates that were correlated to reactive intermediates observed spectroscopically. Benzene hydrogenation on Pt(111) and Pt(100) illustrated structure sensitivity via both vibrational spectroscopy and kinetics. Both cyclohexane and cyclohexene were produced on Pt(111), while only cyclohexane was formed on Pt(100). Additionally, π-allyl c-C₆H₉ was found only on Pt(100), indicating that cyclohexene rapidly dehydrogenates on the (100) surface. The structure insensitive production of cyclohexane was found to exhibit a compensation effect and was analyzed using the selective energy transfer (SET) model. The SET model suggests that the Pt-H system donates energy to the E_2u mode of free benzene, which leads to catalysis. Linear C₆ (n-hexane, 2-methylpentane, 3-methylpentane, and 1-hexene) hydrocarbons were also investigated in the presence and absence of excess hydrogen on Pt

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

Vibrational spectra of 1-hydroxy- and 1,4-dihydroxyanthraquinones and their magnesium chelate complexes. I. Isotopic effects of OH/OD and 24Mg/26Mg substitutions

International Nuclear Information System (INIS)

Kirszenbaum, Marek

1977-01-01

The vibrational spectra of 1-hydroxy- and 1,4-dihydroxyanthraquinones, their deuterated derivatives and their 24 Mg/ 26 Mg chelate complexes are examined in the spectral region 1700-250cm -1 . The study of deuteroxyanthraquinones allow an assignment of the OH/OD group vibrations and show the multiple coupling of the delta OH vibrations with the vCC and delta CH quinonic vibrations. These results lead to a modification of some spectral assignments of magnesium chelate complexe of 1-OH-AQ. The isotopic 24 Mg/ 26 Mg substitution enables the chelate ring vibrations which depend on the motions of the magnesium atom to be observed. The vC=O and vC-O vibrations frequencies of magnesium chelate complexe [Mg(1,4-O 2 -AQ)]sub(n) show an important difference of the chelate ring electronic state in comparison of those of 1,4-(OH) 2 -AQ. The discussion of the infrared and Raman spectra in the Mg-O vibrations region lead to the conclusion that the configuration of oxygens arround the magnesium is tetrahedral [fr

Force Limited Vibration Testing: Computation C2 for Real Load and Probabilistic Source

Science.gov (United States)

Wijker, J. J.; de Boer, A.; Ellenbroek, M. H. M.

2014-06-01

To prevent over-testing of the test-item during random vibration testing Scharton proposed and discussed the force limited random vibration testing (FLVT) in a number of publications, in which the factor C2 is besides the random vibration specification, the total mass and the turnover frequency of the load(test item), a very important parameter. A number of computational methods to estimate C2 are described in the literature, i.e. the simple and the complex two degrees of freedom system, STDFS and CTDFS, respectively. Both the STDFS and the CTDFS describe in a very reduced (simplified) manner the load and the source (adjacent structure to test item transferring the excitation forces, i.e. spacecraft supporting an instrument).The motivation of this work is to establish a method for the computation of a realistic value of C2 to perform a representative random vibration test based on force limitation, when the adjacent structure (source) description is more or less unknown. Marchand formulated a conservative estimation of C2 based on maximum modal effective mass and damping of the test item (load) , when no description of the supporting structure (source) is available [13].Marchand discussed the formal description of getting C 2 , using the maximum PSD of the acceleration and maximum PSD of the force, both at the interface between load and source, in combination with the apparent mass and total mass of the the load. This method is very convenient to compute the factor C 2 . However, finite element models are needed to compute the spectra of the PSD of both the acceleration and force at the interface between load and source.Stevens presented the coupled systems modal approach (CSMA), where simplified asparagus patch models (parallel-oscillator representation) of load and source are connected, consisting of modal effective masses and the spring stiffnesses associated with the natural frequencies. When the random acceleration vibration specification is given the CMSA

Non-linear Vibration of Oscillation Systems using Frequency-Amplitude Formulation

DEFF Research Database (Denmark)

Fereidoon, A.; Ghadimi, M.; Barari, Amin

2012-01-01

In this paper we study the periodic solutions of free vibration of mechanical systems with third and fifthorder nonlinearity for two examples using He’s Frequency Amplitude Formulation (HFAF).The effectiveness and convenience of the method is illustrated in these examples. It will be shown that t...... that the solutions obtained with current method have a fabulous conformity with those achieved from time marching solution. HFAF is easy with powerful concepts and the high accuracy, so it can be found widely applicable in vibrations, especially strong nonlinearity oscillatory problems....

Vibrational collapse of boroxol rings in compacted B2O3 glasses: a study of Raman scattering and low temperature specific heat

Science.gov (United States)

Carini, Giovanni, Jr.; Carini, Giuseppe; D’Angelo, Giovanna; Federico, Mauro; Romano, Valentino

2018-05-01

Low and high frequency Raman scattering of B2O3 glasses, compacted under GPa pressures, has been performed to investigate structural changes due to increasing atomic packing. Compacted glasses, annealed at ambient temperature and pressure, experience a time-dependent decrease of the density to a smaller constant value over a period of few months, displaying a permanent plastic deformation. Increasing densification determines a parallel and progressive decrease of the intensity of the Boson peak and the main band at 808 cm‑1, both these modes arising from localized vibrations involving planar boroxol rings (B3O6), the glassy units formed from three basic BO3 triangles. The 808 cm‑1 mode preserves its frequency, while the BP evidences a well-defined frequency increase. The high-frequency multicomponent band between 1200 and 1600 cm‑1 also changes with increasing densification, disclosing a decreasing intensity of the 1260 cm‑1 mode due to oxygen vibrations of BO3 units bridging boroxol rings. This indicates the gradual vibrational collapse of groups formed from rings connected by more complex links than a single bridging oxygen. The observed behaviours suggest that glass compaction causes severe deformation of boroxol rings, determining a decrease of groups which preserve unaltered their vibrational activity. Growing glass densification stiffens the network and leads to a decrease of the excess heat capacity over the Debye prediction below 20 K, which is not accounted for by the hardening of the elastic continuum. By using the low-frequency Raman scattering to determine the temperature dependence of the heat capacity, it has been evaluated the density of low-frequency vibrational states which discloses a significant reduction of excess modes with increasing density.

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.

Frequency-varying synchronous micro-vibration suppression for a MSFW with application of small-gain theorem

Science.gov (United States)

Peng, Cong; Fan, Yahong; Huang, Ziyuan; Han, Bangcheng; Fang, Jiancheng

2017-01-01

This paper presents a novel synchronous micro-vibration suppression method on the basis of the small gain theorem to reduce the frequency-varying synchronous micro-vibration forces for a magnetically suspended flywheel (MSFW). The proposed synchronous micro-vibration suppression method not only eliminates the synchronous current fluctuations to force the rotor spinning around the inertia axis, but also considers the compensation caused by the displacement stiffness in the permanent-magnet (PM)-biased magnetic bearings. Moreover, the stability of the proposed control system is exactly analyzed by using small gain theorem. The effectiveness of the proposed micro-vibration suppression method is demonstrated via the direct measurement of the disturbance forces for a MSFW. The main merit of the proposed method is that it provides a simple and practical method in suppressing the frequency varying micro-vibration forces and preserving the nominal performance of the baseline control system.

High Frequency Longitudinal Damped Vibrations of a Cylindrical Ultrasonic Transducer

Directory of Open Access Journals (Sweden)

Mihai Valentin Predoi

2014-01-01

Full Text Available Ultrasonic piezoelectric transducers used in classical nondestructive testing are producing in general longitudinal vibrations in the MHz range. A simple mechanical model of these transducers would be very useful for wave propagation numerical simulations, avoiding the existing complicated models in which the real components of the transducer are modeled by finite elements. The classical model for longitudinal vibrations is not adequate because the generated longitudinal wave is not dispersive, the velocity being the same at any frequency. We have adopted the Rayleigh-Bishop model, which avoids these limitations, even if it is not converging to the first but to the second exact longitudinal mode in an elastic rod, as obtained from the complicated Pochhammer-Chree equations. Since real transducers have significant vibrations damping, we have introduced a damping term in the Rayleigh-Bishop model, increasing the imaginary part and keeping almost identical real part of the wavenumber. Common transducers produce amplitude modulated signals, completely attenuated after several periods. This can be modeled by two close frequencies, producing a “beat” phenomenon, superposed on the high damping. For this reason, we introduce a two-rod Rayleigh-Bishop model with damping. Agreement with measured normal velocity on the transducer free surface is encouraging for continuation of the research.

Determination of low-frequency vibrational states in glasses

International Nuclear Information System (INIS)

Ahmad, N.; Hasan, M.M.

1996-01-01

It is shown that density of low frequency (v < 1 THz) vibrational states g(v) in glasses can be determined from heat capacities measured at low temperature. These g(v) are identical to those determined from inelastic neutron scattering studies. The form of g(v) is non quadratic and therefore the Debye density of states may not be used to interpret the Raman, and infrared absorption in glasses. (author)

Origin of the OH vibrational blue shift in the LiOH crystal.

Science.gov (United States)

Hermansson, Kersti; Gajewski, Grzegorz; Mitev, Pavlin D

2008-12-25

The O-H vibrational frequency in crystalline hydroxides is either upshifted or downshifted by its crystalline surroundings. In the LiOH crystal, the experimental gas-to-solid O-H frequency upshift ("blue shift") is approximately +115 cm(-1). Here plane-wave DFT calculations for the isotope-isolated LiOH crystal have been performed and we discuss the origin of the OH frequency upshift, and the nature of the OH group and the interlayer interactions. We find that (1) the vibrational frequency upshift originates from interactions within the LiOH layer; this OH upshift is slightly lessened by the interlayer interactions; (2) the interlayer O-H - - - H-O interaction is largely electrostatic in character (but there is no hydrogen bonding); (3) the gas-to-solid vibrational shift for OH in LiOH(s) and its subsystems qualitatively adheres to a parabola-like "frequency vs electric field strength" correlation curve, which has a maximum for a positive electric field, akin to the correlation curve earlier found in the literature for an isolated OH(-) ion in an electric field.

Calculation of mechanical vibration frequencies of stiffened superconducting cavities

International Nuclear Information System (INIS)

Black, S.J.; Spalek, G.

1992-01-01

We calculated the frequencies of transverse and longitudinal mechanical-vibration modes of the HEPL- modified, CERN/DESY four-cell superconducting cavity, using finite-element techniques. We compared the results of these calculations, including the stiffening of the cavity with rods, with mode frequencies measured at HEPL. The correlation between data was significant. The same techniques were also used to design and optimize the stiffening scheme for the seven-cell 805-MHz superconducting cavity being developed at Los Alamos. In this report, we describe the final stiffening scheme and the results of our calculations

The vibrational Jahn–Teller effect in E⊗e systems

Energy Technology Data Exchange (ETDEWEB)

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

2015-10-16

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

Investigation of the performances of PZT vs rare earth (BaLaTiO3 vibration based energy harvester

Directory of Open Access Journals (Sweden)

Pak Nehemiah

2017-01-01

Full Text Available This study proposes the investigation of two piezoelectric material namely PZT and Lanthanum Doped Barium Titanate (BaLaTiO3 performance as a vibration based energy harvester. The piezoelectric material when applied mechanical stress or strain produces electricity through the piezoelectric effect. The vibration energy would exude mechanical energy and thus apply mechanical force on the energy harvester. The energy harvester would be designed and simulated using the piezoelectric material individually. The studied outputs are divided to frequency response, the load dependence, and the acceleration dependence whereby measurement are observed and taken at maximum power output. The simulation is done using the cantilevers design which employs d31 type of constants. Three different simulations to study the dependence of output power on the resonant frequency response, load and acceleration have found that material that exhibit highest power generation was the BaLaTiO3.

Investigation of the performances of PZT vs rare earth (BaLaTiO3) vibration based energy harvester

Science.gov (United States)

Pak, Nehemiah; Aris, Hasnizah; Nadia Taib, Bibi

2017-11-01

This study proposes the investigation of two piezoelectric material namely PZT and Lanthanum Doped Barium Titanate (BaLaTiO3) performance as a vibration based energy harvester. The piezoelectric material when applied mechanical stress or strain produces electricity through the piezoelectric effect. The vibration energy would exude mechanical energy and thus apply mechanical force on the energy harvester. The energy harvester would be designed and simulated using the piezoelectric material individually. The studied outputs are divided to frequency response, the load dependence, and the acceleration dependence whereby measurement are observed and taken at maximum power output. The simulation is done using the cantilevers design which employs d31 type of constants. Three different simulations to study the dependence of output power on the resonant frequency response, load and acceleration have found that material that exhibit highest power generation was the BaLaTiO3.

The dimers of glyoxal and acrolein with H 2O and HF: Negative intramolecular coupling and blue-shifted C-H stretch

Science.gov (United States)

Karpfen, Alfred; Kryachko, Eugene S.

2010-04-01

The structures and the vibrational spectra of the hydrogen-bonded complexes: glyoxal-H 2O, glyoxal-HF, acrolein-H 2O, and acrolein-HF, are investigated within the MP2/aug-cc-pVTZ computational approach. It is demonstrated that the calculated blue shifts of the C-H stretching frequencies in the glyoxal-H 2O complexes are only indirectly pertinent to hydrogen bonding to the C-H group. The comparison with the glyoxal-HF and the acrolein-HF complexes reveals that these blue shifts are a direct consequence of a negative intramolecular coupling between vicinal C dbnd O and C-H bonds in the aldehyde groups of isolated glyoxal and acrolein molecules. To support this interpretation, the halogen-bonded complexes glyoxal-BrF and acrolein-BrF are discussed.

Pattern recognition based on time-frequency analysis and convolutional neural networks for vibrational events in φ-OTDR

Science.gov (United States)

Xu, Chengjin; Guan, Junjun; Bao, Ming; Lu, Jiangang; Ye, Wei

2018-01-01

Based on vibration signals detected by a phase-sensitive optical time-domain reflectometer distributed optical fiber sensing system, this paper presents an implement of time-frequency analysis and convolutional neural network (CNN), used to classify different types of vibrational events. First, spectral subtraction and the short-time Fourier transform are used to enhance time-frequency features of vibration signals and transform different types of vibration signals into spectrograms, which are input to the CNN for automatic feature extraction and classification. Finally, by replacing the soft-max layer in the CNN with a multiclass support vector machine, the performance of the classifier is enhanced. Experiments show that after using this method to process 4000 vibration signal samples generated by four different vibration events, namely, digging, walking, vehicles passing, and damaging, the recognition rates of vibration events are over 90%. The experimental results prove that this method can automatically make an effective feature selection and greatly improve the classification accuracy of vibrational events in distributed optical fiber sensing systems.

Nonlinear laser dynamics induced by frequency shifted optical feedback: application to vibration measurements.

Science.gov (United States)

Girardeau, Vadim; Goloni, Carolina; Jacquin, Olivier; Hugon, Olivier; Inglebert, Mehdi; Lacot, Eric

2016-12-01

In this article, we study the nonlinear dynamics of a laser subjected to frequency shifted optical reinjection coming back from a vibrating target. More specifically, we study the nonlinear dynamical coupling between the carrier and the vibration signal. The present work shows how the nonlinear amplification of the vibration spectrum is related to the strength of the carrier and how it must be compensated to obtain accurate (i.e., without bias) vibration measurements. The theoretical predictions, confirmed by numerical simulations, are in good agreement with the experimental data. The main motivation of this study is the understanding of the nonlinear response of a laser optical feedback imaging sensor for quantitative phase measurements of small vibrations in the case of strong optical feedback.

Bandshapes in vibrational spectroscopy

International Nuclear Information System (INIS)

Dijkman, F.G.

1978-01-01

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

Energy conversion by ‘T-shaped’ cantilever type electromagnetic vibration based micro power generator from low frequency vibration sources

International Nuclear Information System (INIS)

Siddique, Abu Raihan Mohammad; Mahmud, Shohel; Van Heyst, Bill

2017-01-01

Highlights: • A T-shaped cantilever type electromagnetic vibration based MPG has been described. • The designed EVMPG is useful for low frequency based vibration sources. • Both experimental tests and theoretical analysis have been performed. • The final compact prototype was tested at different conditions of human movements. • The prototype can generate 35.2 mV and 0.22 mW at 7 Hz with 5.6 Ω. - Abstract: The design, development, and analyses of low-frequency vibration based T-shaped cantilever type electromagnetic micro power generators (EVMPGs) are presented in this paper. Four different configurations (Configurations A to D) of EVMPGs were designed and fabricated and subsequently characterized using detailed experimental and limited analytical techniques. Configuration A and B consisted of a single and a double cylindrical moving magnets (NdFeB), respectively, while Configuration C consisted of four rectangular moving magnets with respect to a fixed copper coil. In contrast, Configuration D used a moving coil between four rectangular magnets with a back-iron bar. The open circuit RMS voltage output was observed to be a maximum from Configuration D (98.2 mV at 6.29 Hz) with a base vibration acceleration of 0.8 m s"−"2. Therefore, Configuration D was selected for further experimental investigations, which included changing the back-iron bar thickness, changing the base acceleration level, and changing the air gap separation between the magnets in order to optimize this configuration. The maximum load RMS voltage and power outputs of Configuration D were 105.4 mV and 1.35 mW at 6.29 Hz for load resistance 8.2 Ω and a base acceleration of 0.8 m s"−"2 with a 4.2 mm back-iron bar when the air gap between the magnets was 20 mm. Finally, a small portable EVMPG prototype was developed based on the Configuration D and was tested at different human movement conditions (i.e., walking, quick walking, and running). The developed EVMPG prototype was capable of

Thermal analysis and vibrational spectroscopic characterization of the boro silicate mineral datolite - CaBSiO4(OH)

Science.gov (United States)

Frost, Ray L.; Xi, Yunfei; Scholz, Ricardo; Lima, Rosa Malena Fernandes; Horta, Laura Frota Campos; Lopez, Andres

2013-11-01

The objective of this work is to determine the thermal stability and vibrational spectra of datolite CaBSiO4(OH) and relate these properties to the structure of the mineral. The thermal analysis of datolite shows a mass loss of 5.83% over a 700-775 °C temperature range. This mass loss corresponds to 1 water (H2O) molecules pfu. A quantitative chemical analysis using electron probe was undertaken. The Raman spectrum of datolite is characterized by bands at 917 and 1077 cm-1 assigned to the symmetric stretching modes of BO and SiO tetrahedra. A very intense Raman band is observed at 3498 cm-1 assigned to the stretching vibration of the OH units in the structure of datolite. BOH out-of-plane vibrations are characterized by the infrared band at 782 cm-1. The vibrational spectra are based upon the structure of datolite based on sheets of four- and eight-membered rings of alternating SiO4 and BO3(OH) tetrahedra with the sheets bonded together by calcium atoms.

On the origin of bonding and vibrational frequency shifts for CO adsorbed on neutral, cationic and anionic gold clusters

International Nuclear Information System (INIS)

Bagus, P S; Pacchioni, G

2008-01-01

We report a detailed analysis of the electronic mechanisms which determine the bond strength and the vibrational frequency of CO molecules adsorbed on neutral or charged gold nanoparticles. To this end we have considered a simple cluster model, Au 5 CO q (q = +1, 0, -1), and decomposed the Au-CO interaction energy into the sum of various contributions according to a Constrained Space Orbital Variation approach. While the adsorption energy is relatively insensitive to the value of q, the C-O stretch frequency, ω e (CO), changes substantially, and allows the use of this molecule as a direct probe of the gold oxidation state. The results show that two major terms contribute to the red or blue shift of ω e (CO) as a function of q: the interaction with the electric field associated to the charged nanoparticle (Stark effect) and the Au → CO Φ back donation. The CO → Au σ donation is about half as important as the Φ back-donation and all other terms are much less important

Vibrational spectroscopy of NO + (H2O)n: Evidence for the intracluster reaction NO + (H2O)n --> H3O + (H2O)n - 2 (HONO) at n => 4

Science.gov (United States)

Choi, Jong-Ho; Kuwata, Keith T.; Haas, Bernd-Michael; Cao, Yibin; Johnson, Matthew S.; Okumura, Mitchio

1994-05-01

Infrared spectra of mass-selected clusters NO+(H2O)n for n=1 to 5 were recorded from 2700 to 3800 cm-1 by vibrational predissociation spectroscopy. Vibrational frequencies and intensities were also calculated for n=1 and 2 at the second-order Møller-Plesset (MP2) level, to aid in the interpretation of the spectra, and at the singles and doubles coupled cluster (CCSD) level energies of n=1 isomers were computed at the MP2 geometries. The smaller clusters (n=1 to 3) were complexes of H2O ligands bound to a nitrosonium ion NO+ core. They possessed perturbed H2O stretch bands and dissociated by loss of H2O. The H2O antisymmetric stretch was absent in n=1 and gradually increased in intensity with n. In the n=4 clusters, we found evidence for the beginning of a second solvation shell as well as the onset of an intracluster reaction that formed HONO. These clusters exhibited additional weak, broad bands between 3200 and 3400 cm-1 and two new minor photodissociation channels, loss of HONO and loss of two H2O molecules. The reaction appeared to go to completion within the n=5 clusters. The primary dissociation channel was loss of HONO, and seven vibrational bands were observed. From an analysis of the spectrum, we concluded that the n=5 cluster rearranged to form H3O+(H2O)3(HONO), i.e., an adduct of the reaction products.

Calculation of mechanical vibration frequencies of stiffened superconducting cavities

International Nuclear Information System (INIS)

Black, S.J.; Spalek, G.

1992-01-01

We calculated the frequencies of transverse and longitudinal mechanical-vibration modes of the HEPL-modified, CERN/DESY four-cell superconducting cavity, using finite-element techniques. We compared the results of these calculations, including the stiffening of the cavity with rods, with mode frequencies measured at HEPL. The correlation between data was significant. The same techniques were also used to design and optimize the stiffening scheme for the seven-cell 805-MHz superconducting cavity being developed at Los Alamos. In this report, we describe the final stiffening scheme and the results of our calculations. (Author) 6 figs., 5 tabs., 4 refs

Low-frequency zone boundary phonons in Li doped ZnO ceramics

Science.gov (United States)

Yadav, Harish Kumar; Sreenivas, K.; Gupta, Vinay; Katiyar, R. S.

2008-09-01

Room temperature Raman spectra of Li doped ZnO (Zn1-xLixO) ceramics with varying Li concentrations (x =0.0, 0.05, 0.10, and 0.15) are investigated in this study. Four peaks were identified at 96.6, 127, 157, and 194 cm-1 in the Li doped samples. The peaks at 127, 157, and 194 cm-1 are assigned to zone boundary phonons in ZnO [J. M. Calleja and M. Cardona, Phys. Rev. B 16, 3753 (1977)], and appear due to disorder in ZnO lattice with Li incorporation. Lithium, owing to its smaller radius, adjusts itself anywhere in the ZnO lattice and breaks the crystal translational symmetry to a large extent, compared to other dopants. Disorder in the lattice is seen to be finely modulated with varying Li content. The peak at 96.6 cm-1 is hypothesized to be a projection of the vibrational motion of Li atoms at lower frequencies, which contributes in a major fashion at higher frequencies, due to its lighter mass than Zn or O atoms.

Note: A component-level frequency tunable isolator for vibration-sensitive chips using SMA beams

Energy Technology Data Exchange (ETDEWEB)

Zhang, Xiaoyong, E-mail: zhangxy@buaa.edu.cn, E-mail: yanxiaojun@buaa.edu.cn; Yan, Xiaojun, E-mail: zhangxy@buaa.edu.cn, E-mail: yanxiaojun@buaa.edu.cn [School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Collaborative Innovation Center of Advanced Aero-Engine, Beijing 100191 (China); National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, Beijing 100191 (China); Beijing Key Laboratory of Aero-Engine Structure and Strength, Beijing 100191 (China); Ding, Xin; Wu, Di; Qi, Junlei; Wang, Ruixin; Lu, Siwei [School of Energy and Power Engineering, Beihang University, Beijing 100191 (China)

2016-06-15

This note presents a component-level frequency tunable isolator for vibration-sensitive chips. The isolator employed 8 U-shaped shape memory alloy (SMA) beams to support an isolation island (used for mounting chips). Due to the temperature-induced Young’s modulus variation of SMA, the system stiffness of the isolator can be controlled through heating the SMA beams. In such a way, the natural frequency of the isolator can be tuned. A prototype was fabricated to evaluate the concept. The test results show that the natural frequency of the isolator can be tuned in the range of 64 Hz–97 Hz by applying different heating strategies. Moreover, resonant vibration can be suppressed significantly (the transmissibility decreases about 65% near the resonant frequency) using a real-time tuning method.

Note: A component-level frequency tunable isolator for vibration-sensitive chips using SMA beams

International Nuclear Information System (INIS)

Zhang, Xiaoyong; Yan, Xiaojun; Ding, Xin; Wu, Di; Qi, Junlei; Wang, Ruixin; Lu, Siwei

2016-01-01

This note presents a component-level frequency tunable isolator for vibration-sensitive chips. The isolator employed 8 U-shaped shape memory alloy (SMA) beams to support an isolation island (used for mounting chips). Due to the temperature-induced Young’s modulus variation of SMA, the system stiffness of the isolator can be controlled through heating the SMA beams. In such a way, the natural frequency of the isolator can be tuned. A prototype was fabricated to evaluate the concept. The test results show that the natural frequency of the isolator can be tuned in the range of 64 Hz–97 Hz by applying different heating strategies. Moreover, resonant vibration can be suppressed significantly (the transmissibility decreases about 65% near the resonant frequency) using a real-time tuning method.

The vibrating reed frequency meter: digital investigation of an early cochlear model

Directory of Open Access Journals (Sweden)

Andrew Bell

2015-10-01

Full Text Available The vibrating reed frequency meter, originally employed by Békésy and later by Wilson as a cochlear model, uses a set of tuned reeds to represent the cochlea’s graded bank of resonant elements and an elastic band threaded between them to provide nearest-neighbour coupling. Here the system, constructed of 21 reeds progressively tuned from 45 to 55 Hz, is simulated numerically as an elastically coupled bank of passive harmonic oscillators driven simultaneously by an external sinusoidal force. To uncover more detail, simulations were extended to 201 oscillators covering the range 1–2 kHz. Calculations mirror the results reported by Wilson and show expected characteristics such as traveling waves, phase plateaus, and a response with a broad peak at a forcing frequency just above the natural frequency. The system also displays additional fine-grain features that resemble those which have only recently been recognised in the cochlea. Thus, detailed analysis brings to light a secondary peak beyond the main peak, a set of closely spaced low-amplitude ripples, rapid rotation of phase as the driving frequency is swept, frequency plateaus, clustering, and waxing and waning of impulse responses. Further investigation shows that each reed’s vibrations are strongly localised, with small energy flow along the chain. The distinctive set of equally spaced ripples is an inherent feature which is found to be largely independent of boundary conditions. Although the vibrating reed model is functionally different to the standard transmission line, its cochlea-like properties make it an intriguing local oscillator model whose relevance to cochlear mechanics needs further investigation.

Vibrational characteristics of FRP-bonded concrete interfacial defects in a low frequency regime

Science.gov (United States)

Cheng, Tin Kei; Lau, Denvid

2014-04-01

As externally bonded fiber-reinforced polymer (FRP) is a critical load-bearing component of strengthened or retrofitted civil infrastructures, the betterment of structural health monitoring (SHM) methodology for such composites is imperative. Henceforth the vibrational characteristics of near surface interfacial defects involving delamination and trapped air pockets at the FRP-concrete interface are investigated in this study using a finite element approach. Intuitively, due to its lower interfacial stiffness compared with an intact interface, a damaged region is expected to have a set of resonance frequencies different from an intact region when excited by acoustic waves. It has been observed that, when excited acoustically, both the vibrational amplitudes and frequency peaks in the response spectrum of the defects demonstrate a significant deviation from an intact FRP-bonded region. For a thin sheet of FRP bonded to concrete with sizable interfacial defects, the fundamental mode under free vibration is shown to be relatively low, in the order of kHz. Due to the low resonance frequencies of the defects, the use of low-cost equipment for interfacial defect detection via response spectrum analysis is highly feasible.

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.

Vibration-response due to thickness loss on steel plate excited by resonance frequency

Science.gov (United States)

Kudus, S. A.; Suzuki, Y.; Matsumura, M.; Sugiura, K.

2018-04-01

The degradation of steel structure due to corrosion is a common problem found especially in the marine structure due to exposure to the harsh marine environment. In order to ensure safety and reliability of marine structure, the damage assessment is an indispensable prerequisite for plan of remedial action on damaged structure. The main goal of this paper is to discuss simple vibration measurement on plated structure to give image on overview condition of the monitored structure. The changes of vibration response when damage was introduced in the plate structure were investigated. The damage on plate was simulated in finite element method as loss of thickness section. The size of damage and depth of loss of thickness were varied for different damage cases. The plate was excited with lower order of resonance frequency in accordance estimate the average remaining thickness based on displacement response obtain in the dynamic analysis. Significant reduction of natural frequency and increasing amplitude of vibration can be observed in the presence of severe damage. The vibration analysis summarized in this study can serve as benchmark and reference for researcher and design engineer.

Vibrational spectra of double oxides of calcium and scandium

International Nuclear Information System (INIS)

Porotnikov, N.V.; Kondratov, O.I.; Petrov, K.I.; Olikov, I.I.

1981-01-01

The vibrational spectra of calcium and scandium double oxides 40 CaSc 2 O 4 and 44 CaSc 2 O 4 in the range of 30-1000 cm -1 are studied. In the approximation of the polymer chains of the method of valent-force field the calculation of the theoretical vibrational spectrum of isotope-substituted compounds is made, the attribution of the experimental spectra is suggested, the frequency branches of the vibrations of periodic chains are built, the force field of crystals is evaluated [ru

3C-Silicon Carbide Microresonators for Timing and Frequency Reference

Directory of Open Access Journals (Sweden)

Graham S. Wood

2016-11-01

Full Text Available In the drive to miniaturise and integrate reference oscillator components, microelectromechanical systems (MEMS resonators are excellent candidates to replace quartz crystals. Silicon is the most utilised resonator structural material due to its associated well-established fabrication processes. However, when operation in harsh environments is required, cubic silicon carbide (3C-SiC is an excellent candidate for use as a structural material, due to its robustness, chemical inertness and high temperature stability. In order to actuate 3C-SiC resonators, electrostatic, electrothermal and piezoelectric methods have been explored. Both electrothermal and piezoelectric actuation can be accomplished with simpler fabrication and lower driving voltages, down to 0.5 V, compared to electrostatic actuation. The vibration amplitude at resonance can be maximised by optimising the design and location of the electrodes. Electrical read out of the resonator can be performed with electrostatic or piezoelectric transduction. Finally, a great deal of research has focused on tuning the resonant frequency of a 3C-SiC resonator by adjusting the DC bias applied to the electrodes, with a higher (up to 160-times tuning range for electrothermal tuning compared to piezoelectric tuning. Electrothermal tuning lowers the frequency, while piezoelectric tuning can be used to raise the frequency.

Theory and experiment research for ultra-low frequency maglev vibration sensor

Science.gov (United States)

Zheng, Dezhi; Liu, Yixuan; Guo, Zhanshe; Zhao, Xiaomeng; Fan, Shangchun

2015-10-01

A new maglev sensor is proposed to measure ultra-low frequency (ULF) vibration, which uses hybrid-magnet levitation structure with electromagnets and permanent magnets as the supporting component, rather than the conventional spring structure of magnetoelectric vibration sensor. Since the lower measurement limit needs to be reduced, the equivalent bearing stiffness coefficient and the equivalent damping coefficient are adjusted by the sensitivity unit structure of the sensor and the closed-loop control system, which realizes both the closed-loop control and the solving algorithms. A simple sensor experimental platform is then assembled based on a digital hardware system, and experimental results demonstrate that the lower measurement limit of the sensor is increased to 0.2 Hz under these experimental conditions, indicating promising results of the maglev sensor for ULF vibration measurements.

Theory and experiment research for ultra-low frequency maglev vibration sensor

International Nuclear Information System (INIS)

Zheng, Dezhi; Liu, Yixuan; Guo, Zhanshe; Fan, Shangchun; Zhao, Xiaomeng

2015-01-01

A new maglev sensor is proposed to measure ultra-low frequency (ULF) vibration, which uses hybrid-magnet levitation structure with electromagnets and permanent magnets as the supporting component, rather than the conventional spring structure of magnetoelectric vibration sensor. Since the lower measurement limit needs to be reduced, the equivalent bearing stiffness coefficient and the equivalent damping coefficient are adjusted by the sensitivity unit structure of the sensor and the closed-loop control system, which realizes both the closed-loop control and the solving algorithms. A simple sensor experimental platform is then assembled based on a digital hardware system, and experimental results demonstrate that the lower measurement limit of the sensor is increased to 0.2 Hz under these experimental conditions, indicating promising results of the maglev sensor for ULF vibration measurements

Theory and experiment research for ultra-low frequency maglev vibration sensor

Energy Technology Data Exchange (ETDEWEB)

Zheng, Dezhi; Liu, Yixuan, E-mail: xuan61x@163.com; Guo, Zhanshe; Fan, Shangchun [School of Instrument Science and Opto-electronics Engineering, Beihang University, Beijing 100191 (China); Zhao, Xiaomeng [Laser Medicine Laboratory, Institute of Biomedical Engineering, Chinese Academy of medical Sciences and Peking Union Medical College, Tianjin 300192 (China)

2015-10-15

A new maglev sensor is proposed to measure ultra-low frequency (ULF) vibration, which uses hybrid-magnet levitation structure with electromagnets and permanent magnets as the supporting component, rather than the conventional spring structure of magnetoelectric vibration sensor. Since the lower measurement limit needs to be reduced, the equivalent bearing stiffness coefficient and the equivalent damping coefficient are adjusted by the sensitivity unit structure of the sensor and the closed-loop control system, which realizes both the closed-loop control and the solving algorithms. A simple sensor experimental platform is then assembled based on a digital hardware system, and experimental results demonstrate that the lower measurement limit of the sensor is increased to 0.2 Hz under these experimental conditions, indicating promising results of the maglev sensor for ULF vibration measurements.

Difference frequency generation spectroscopy as a vibrational optical activity measurement tool.

Science.gov (United States)

Cheon, Sangheon; Cho, Minhaeng

2009-03-19

Vibrational optical activity (VOA) of chiral molecules in condensed phases can be studied by using vibrational circular dichroism and Raman optical activity measurement techniques. Recently, IR-vis sum frequency generation has shown to be an alternative VOA measurement method. Such a three-wave-mixing method employing a polarization modulation technique can be a potentially useful VOA measurement tool. Here, a theoretical description of difference frequency generation (DFG) employing circularly polarized visible radiations is presented. Frequency scanning to obtain a VOA-DFG spectrum is achieved by controlling the difference between the two electronically nonresonant incident radiation frequencies. If the two incident beams are linearly polarized and their polarization directions are perpendicular to each other, one can selectively measure the all-electric-dipole-allowed chiral component of the DFG susceptibility. In addition, by using circularly polarized beams and taking the DFG difference intensity signal, which is defined as the difference between left and right circularly polarized DFG signals, additional chiral susceptibility components originating from the electric quadrupole transition can be measured. The DFG as a novel VOA measurement technique for solution samples containing chiral molecules will therefore be a useful coherent spectroscopic tool for determining absolute configuration of chiral molecules in condensed phases.

A low frequency vibration energy harvester using magnetoelectric laminate composite

International Nuclear Information System (INIS)

Ju, Suna; Chae, Song Hee; Choi, Yunhee; Lee, Seungjun; Ji, Chang-Hyeon; Lee, Hyang Woon

2013-01-01

In this paper, we present a vibration energy harvester using magnetoelectric laminate composite and a springless spherical permanent magnet as a proof mass. The harvester utilizes a freely movable spherical permanent magnet to transform external vibration into a time varying magnetic field applied to the magnetoelectric transducer. The laminate composite consists of a Ni–Mn–Ga-based MSMA (magnetic shape memory alloy) element and a PZT (lead zirconate titanate) plate. A proof-of-concept harvester has been fabricated and characterized at various input accelerations and frequencies. A maximum open circuit voltage of 1.18 V has been obtained in response to a 3g vibration at 17 Hz with the fabricated device. Moreover, a maximum output voltage of 10.24 V and output power of 4.1 μW have been achieved on a 950 Ω load, when the fabricated energy harvester was mounted on a smartphone and shaken by hand. (paper)

Topology optimization and fabrication of low frequency vibration energy harvesting microdevices

International Nuclear Information System (INIS)

Deng, Jiadong; Rorschach, Katherine; Baker, Evan; Sun, Cheng; Chen, Wei

2015-01-01

Topological design of miniaturized resonating structures capable of harvesting electrical energy from low frequency environmental mechanical vibrations encounters a particular physical challenge, due to the conflicting design requirements: low resonating frequency and miniaturization. In this paper structural static stiffness to resist undesired lateral deformation is included into the objective function, to prevent the structure from degenerating and forcing the solution to be manufacturable. The rational approximation of material properties interpolation scheme is introduced to deal with the problems of local vibration and instability of the low density area induced by the design dependent body forces. Both density and level set based topology optimization (TO) methods are investigated in their parameterization, sensitivity analysis, and applicability for low frequency energy harvester TO problems. Continuum based variation formulations for sensitivity analysis and the material derivative based shape sensitivity analysis are presented for the density method and the level set method, respectively; and their similarities and differences are highlighted. An external damper is introduced to simulate the energy output of the resonator due to electrical damping and the Rayleigh proportional damping is used for mechanical damping. Optimization results for different scenarios are tested to illustrate the influences of dynamic and static loads. To demonstrate manufacturability, the designs are built to scale using a 3D microfabrication method and assembled into vibration energy harvester prototypes. The fabricated devices based on the optimal results from using different TO techniques are tested and compared with the simulation results. The structures obtained by the level set based TO method require less post-processing before fabrication and the structures obtained by the density based TO method have resonating frequency as low as 100 Hz. The electrical voltage response

The correction of vibration in frequency scanning interferometry based absolute distance measurement system for dynamic measurements

Science.gov (United States)

Lu, Cheng; Liu, Guodong; Liu, Bingguo; Chen, Fengdong; Zhuang, Zhitao; Xu, Xinke; Gan, Yu

2015-10-01

Absolute distance measurement systems are of significant interest in the field of metrology, which could improve the manufacturing efficiency and accuracy of large assemblies in fields such as aircraft construction, automotive engineering, and the production of modern windmill blades. Frequency scanning interferometry demonstrates noticeable advantages as an absolute distance measurement system which has a high precision and doesn't depend on a cooperative target. In this paper , the influence of inevitable vibration in the frequency scanning interferometry based absolute distance measurement system is analyzed. The distance spectrum is broadened as the existence of Doppler effect caused by vibration, which will bring in a measurement error more than 103 times bigger than the changes of optical path difference. In order to decrease the influence of vibration, the changes of the optical path difference are monitored by a frequency stabilized laser, which runs parallel to the frequency scanning interferometry. The experiment has verified the effectiveness of this method.

Three-dimensional piezoelectric vibration energy harvester using spiral-shaped beam with triple operating frequencies

Energy Technology Data Exchange (ETDEWEB)

Zhao, Nian; Yang, Jin, E-mail: yangjin@cqu.edu.cn; Yu, Qiangmo; Zhao, Jiangxin; Liu, Jun; Wen, Yumei; Li, Ping [Department of Optoelectronic Engineering, Chongqing University, Chongqing 400044 (China)

2016-01-15

This work has demonstrated a novel piezoelectric energy harvester without a complex structure and appended component that is capable of scavenging vibration energy from arbitrary directions with multiple resonant frequencies. In this harvester, a spiral-shaped elastic thin beam instead of a traditional thin cantilever beam was adopted to absorb external vibration with arbitrary direction in three-dimensional (3D) spaces owing to its ability to bend flexibly and stretch along arbitrary direction. Furthermore, multiple modes in the elastic thin beam contribute to a possibility to widen the working bandwidth with multiple resonant frequencies. The experimental results show that the harvester was capable of scavenging the vibration energy in 3D arbitrary directions; they also exhibited triple power peaks at about 16 Hz, 21 Hz, and 28 Hz with the powers of 330 μW, 313 μW, and 6 μW, respectively. In addition, human walking and water wave energies were successfully converted into electricity, proving that our harvester was practical to scavenge the time-variant or multi-directional vibration energies in our daily life.

Three-dimensional piezoelectric vibration energy harvester using spiral-shaped beam with triple operating frequencies

Science.gov (United States)

Zhao, Nian; Yang, Jin; Yu, Qiangmo; Zhao, Jiangxin; Liu, Jun; Wen, Yumei; Li, Ping

2016-01-01

This work has demonstrated a novel piezoelectric energy harvester without a complex structure and appended component that is capable of scavenging vibration energy from arbitrary directions with multiple resonant frequencies. In this harvester, a spiral-shaped elastic thin beam instead of a traditional thin cantilever beam was adopted to absorb external vibration with arbitrary direction in three-dimensional (3D) spaces owing to its ability to bend flexibly and stretch along arbitrary direction. Furthermore, multiple modes in the elastic thin beam contribute to a possibility to widen the working bandwidth with multiple resonant frequencies. The experimental results show that the harvester was capable of scavenging the vibration energy in 3D arbitrary directions; they also exhibited triple power peaks at about 16 Hz, 21 Hz, and 28 Hz with the powers of 330 μW, 313 μW, and 6 μW, respectively. In addition, human walking and water wave energies were successfully converted into electricity, proving that our harvester was practical to scavenge the time-variant or multi-directional vibration energies in our daily life.

Three-dimensional piezoelectric vibration energy harvester using spiral-shaped beam with triple operating frequencies

International Nuclear Information System (INIS)

Zhao, Nian; Yang, Jin; Yu, Qiangmo; Zhao, Jiangxin; Liu, Jun; Wen, Yumei; Li, Ping

2016-01-01

This work has demonstrated a novel piezoelectric energy harvester without a complex structure and appended component that is capable of scavenging vibration energy from arbitrary directions with multiple resonant frequencies. In this harvester, a spiral-shaped elastic thin beam instead of a traditional thin cantilever beam was adopted to absorb external vibration with arbitrary direction in three-dimensional (3D) spaces owing to its ability to bend flexibly and stretch along arbitrary direction. Furthermore, multiple modes in the elastic thin beam contribute to a possibility to widen the working bandwidth with multiple resonant frequencies. The experimental results show that the harvester was capable of scavenging the vibration energy in 3D arbitrary directions; they also exhibited triple power peaks at about 16 Hz, 21 Hz, and 28 Hz with the powers of 330 μW, 313 μW, and 6 μW, respectively. In addition, human walking and water wave energies were successfully converted into electricity, proving that our harvester was practical to scavenge the time-variant or multi-directional vibration energies in our daily life

Three-dimensional piezoelectric vibration energy harvester using spiral-shaped beam with triple operating frequencies.

Science.gov (United States)

Zhao, Nian; Yang, Jin; Yu, Qiangmo; Zhao, Jiangxin; Liu, Jun; Wen, Yumei; Li, Ping

2016-01-01

This work has demonstrated a novel piezoelectric energy harvester without a complex structure and appended component that is capable of scavenging vibration energy from arbitrary directions with multiple resonant frequencies. In this harvester, a spiral-shaped elastic thin beam instead of a traditional thin cantilever beam was adopted to absorb external vibration with arbitrary direction in three-dimensional (3D) spaces owing to its ability to bend flexibly and stretch along arbitrary direction. Furthermore, multiple modes in the elastic thin beam contribute to a possibility to widen the working bandwidth with multiple resonant frequencies. The experimental results show that the harvester was capable of scavenging the vibration energy in 3D arbitrary directions; they also exhibited triple power peaks at about 16 Hz, 21 Hz, and 28 Hz with the powers of 330 μW, 313 μW, and 6 μW, respectively. In addition, human walking and water wave energies were successfully converted into electricity, proving that our harvester was practical to scavenge the time-variant or multi-directional vibration energies in our daily life.

Bi-resonant structure with piezoelectric PVDF films for energy harvesting from random vibration sources at low frequency

DEFF Research Database (Denmark)

Liang, Shanshan; Crovetto, Andrea; Peng, Zhuoteng

2016-01-01

and experiments with piezoelectric elements show that the energy harvesting device with the bi-resonant structure can generate higher power output than that of the sum of the two separate devices from random vibration sources at low frequency, and hence significantly improves the vibration-to- electricity......This paper reports on a bi-resonant structure of piezoelectric PVDF films energy harvester (PPEH), which consists of two cantilevers with resonant frequencies of 15 Hz and 22 Hz. With increased acceleration, the vibration amplitudes of the two cantilever-mass structures are increased and collision...

The Biological Effect of Extremely Low Frequency Electromagnetic Fields and Vibrations on Barley Seed Hydration and Germination

Directory of Open Access Journals (Sweden)

Armine Amyan

2004-01-01

Full Text Available The changes of wet and dry weights and germination of barley seed in different periods of its swelling in nontreated (control, extremely low frequency electromagnetic fields (ELF EMF –treated, and extremely low frequency vibrations (ELFV–treated cold (4°C and warm (20°C distilled water (DW were studied. The metabolic-dependent seed hydration, dry weight dissolving, germination, and water binding in seed were modulated by preliminary EMF- and ELFV-treated DW. Frequency “windows” for the effect of EMF and ELFV on seed hydration, solubility, water binding in seed, and germination were discovered. These “windows” were different for EMF and ELFV, as well as in various phases of seed swelling. It is suggested that EMF-induced water structure modification has a different biological effect on the process of seed hydration, solubility, water binding in seed, and germination compared to ELFV.

COMBUSTION HEAT RELEASE RATE ANALYSIS OF C.I. ENGINE WITH SECONDARY CO-INJECTION OF DEE-H2O SOLUTION - A VIBRATIONAL APPROACH

Directory of Open Access Journals (Sweden)

Y. V. V. SATYANARAYANA MURTHY

2015-08-01

Full Text Available This paper discusses the combustion propensity of single cylinder direct injection engine fueled with palm kernel methyl ester (PKME, which is non- edible oil and a secondary co-injection of saturated Diethyl ether (DEE with water. DEE along with water is fumigated through a high pressure nozzle fitted to the inlet manifold of the engine and the flow rate of the secondary injection was electronically controlled. DEE is known to improve the cold starting problem in engines when used in straight diesel fuel. However, its application in emulsion form is little known. Experimental results show that for 5% DEE- H2O solution injection, occurrence of maximum net heat release rate is delayed due to controlled premixed combustion, which normally helped in better torque conversion when the piston is in accelerated mode. Vibration measurements in the frequency range of 900Hz to 1300Hz revealed that a new mode of combustion has taken place with different excitation frequencies.

Effect of Elevated Intracranial Pressure on Amplitudes and Frequency Tuning of Ocular Vestibular Evoked Myogenic Potentials Elicited by Bone-Conducted Vibration.

Science.gov (United States)

Gürkov, Robert; Speierer, Guillaume; Wittwer, Luis; Kalla, Roger

Recently, it could be demonstrated that an increased intracranial pressure causes a modulation of the air conducted sound evoked ocular vestibular evoked myogenic potential (oVEMP). The mechanism for this modulation is not resolved and may depend on a change of either receptor excitability or sound energy transmission. oVEMPs were elicited in 18 healthy subjects with a minishaker delivering 500 and 1000 Hz tone bursts, in supine and tilted positions. The study could confirm the frequency tuning of oVEMP. However, at neither stimulus frequency could a modulating effect of increased intracranial pressure be observed. These data suggest that the observed modulation of the oVEMP response by an increased intracranial pressure is primarily due to the effect of an increased intralabyrinthine pressure onto the stiffness of the inner ear contents and the middle ear-inner ear junction. Future studies on the effect of intracranial pressure on oVEMP should use air-conducted sound and not bone-conducted vibration.

Application of comparative vibrational spectroscopic and mechanistic studies in analysis of fisetin structure

Science.gov (United States)

Dimitrić Marković, Jasmina M.; Marković, Zoran S.; Milenković, Dejan; Jeremić, Svetlana

2011-12-01

This paper addresses experimental and theoretical research in fisetin (2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one) structure by means of experimental IR and Raman spectroscopies and mechanistic calculations. Density Functional Theory calculations, with M05-2X functional and the 6-311+G (2df, p) basis set implemented in the Gaussian 09 package, are performed with the aim to support molecular structure, vibrational bands' positions and their intensities. Potential energy distribution (PED) values and the description of the largest vibrational contributions to the normal modes are calculated. The most intense bands appear in the 1650-1500 cm -1 wavenumber region. This region involves a combination of the C dbnd O, C2 dbnd C3 and C-C stretching vibrational modes. Most of the bands in the 1500-1000 cm -1 range involve C-C stretching, O-C stretching and in-plane C-C-H, C-O-H, C-C-O and C-C-C bending vibrations of the rings. The region below 1000 cm -1 is characteristic to the combination of in plane C-C-C-H, H-C-C-H, C-C-C-C, C-C-O-C and out of plane O-C-C-C, C-C-O-C, C-C-C-C torsional modes. The Raman spectra of baicalein and quercetin were used for qualitative comparison with fisetin spectrum and verification of band assignments. The applied detailed vibrational spectral analysis and the assignments of the bands, proposed on the basis of fundamentals, reproduced the experimental results with high degree of accuracy.

Synthesis, structural, dielectric and magnetic properties of CuFe{sub 2}O{sub 4}/MnO{sub 2} nanocomposites

Energy Technology Data Exchange (ETDEWEB)

Ali, Kashif, E-mail: kashiiu007@gmail.com [Department of Physics, International Islamic University, Islamabad (Pakistan); Bahadur, Ali [Department of Chemistry, Quaid-i-Azam University, Islamabad (Pakistan); Jabbar, Abdul [Department of Chemistry, Allama Iqbal Open University, Islamabad (Pakistan); Iqbal, Shahid [School of chemistry and chemical engineering, university of Chinese academy of sciences, Beijing 10049 (China); Ahmad, Ijaz [Department of Chemistry, Allama Iqbal Open University, Islamabad (Pakistan); Bashir, Muhammad Imran [Department of Physics, Quaid-i-Azam University, Islamabad (Pakistan)

2017-07-15

Novel nanocomposite of (1-x)CuFe{sub 2}O{sub 4}/xMnO{sub 2} [x=10% to 50 wt%] has been synthesized by two step wet chemical route without impurity. The x-ray diffraction analysis shows the formation of both phases with crystallite size 40–100 nm which is consist ant with estimated size of SEM.The FTIR spectra confirms the characteristics vibration of ferrites atoms at tetrahedral and octahedral sites along with Mn-O vibration mode, which also confirms the coexistence of both phases. The dielectric properties studied by LCR meter in frequency range of 1 K Hz to 2 MHz.The dielectric constant and tangent loss shows same dispersion of ferrites while a.c. conductivity decreases with increase in MnO{sub 2} contents. The real and imaginary part of impedance also calculated which shows decreasing trend at higher frequency. The magnetic characterization performed by vibrating sample magnetometer (VSM) at room temperature, which shows normal ferromagnetic behavior of ferrites but saturation magnetization and coercivity decreases with incorporation of MnO{sub 2} contents.

Comparative Study of Time-Frequency Decomposition Techniques for Fault Detection in Induction Motors Using Vibration Analysis during Startup Transient

Directory of Open Access Journals (Sweden)

Paulo Antonio Delgado-Arredondo

2015-01-01

Full Text Available Induction motors are critical components for most industries and the condition monitoring has become necessary to detect faults. There are several techniques for fault diagnosis of induction motors and analyzing the startup transient vibration signals is not as widely used as other techniques like motor current signature analysis. Vibration analysis gives a fault diagnosis focused on the location of spectral components associated with faults. Therefore, this paper presents a comparative study of different time-frequency analysis methodologies that can be used for detecting faults in induction motors analyzing vibration signals during the startup transient. The studied methodologies are the time-frequency distribution of Gabor (TFDG, the time-frequency Morlet scalogram (TFMS, multiple signal classification (MUSIC, and fast Fourier transform (FFT. The analyzed vibration signals are one broken rotor bar, two broken bars, unbalance, and bearing defects. The obtained results have shown the feasibility of detecting faults in induction motors using the time-frequency spectral analysis applied to vibration signals, and the proposed methodology is applicable when it does not have current signals and only has vibration signals. Also, the methodology has applications in motors that are not fed directly to the supply line, in such cases the analysis of current signals is not recommended due to poor current signal quality.

Peculiarities of the Third Natural Frequency Vibrations of a Cantilever for the Improvement of Energy Harvesting

Directory of Open Access Journals (Sweden)

Vytautas Ostasevicius

2015-05-01

Full Text Available This paper focuses on several aspects extending the dynamical efficiency of a cantilever beam vibrating in the third mode. A few ways of producing this mode stimulation, namely vibro-impact or forced excitation, as well as its application for energy harvesting devices are proposed. The paper presents numerical and experimental analyses of novel structural dynamics effects along with an optimal configuration of the cantilever beam. The peculiarities of a cantilever beam vibrating in the third mode are related to the significant increase of the level of deformations capable of extracting significant additional amounts of energy compared to the conventional harvester vibrating in the first mode. Two types of a piezoelectric vibrating energy harvester (PVEH prototype are analysed in this paper: the first one without electrode segmentation, while the second is segmented using electrode segmentation at the strain nodes of the third vibration mode to achieve effective operation at the third resonant frequency. The results of this research revealed that the voltage generated by any segment of the segmented PVEH prototype excited at the third resonant frequency demonstrated a 3.4–4.8-fold increase in comparison with the non-segmented prototype. Simultaneously, the efficiency of the energy harvester prototype also increased at lower resonant frequencies from 16% to 90%. The insights presented in the paper may serve for the development and fabrication of advanced piezoelectric energy harvesters which would be able to generate a considerably increased amount of electrical energy independently of the frequency of kinematical excitation.

The vibrational behaviour of the generator support structure for Koeberg nuclear power station at high frequencies

International Nuclear Information System (INIS)

Lee, D.E.

1988-06-01

The vibrational behaviour of the generator support structure at Koeberg nuclear power station at frequencies primarily in the region of 80 Hz to 110 Hz was examined. The effect of soil-structure interaction and the change in stiffness of the foundation soil was investigated. Vibration tests were performed on the generator support structure and the results were compared with a theoretical finite element analysis of the structure. By varying the soil-cement foundation stiffness it was possible to demonstrate the change in dynamic behaviour of the structure in the higher frequency band 80 Hz to 110 Hz. Comment has been made on the design code DIN 4024 in view of the findings of this thesis. It was concluded that the empirical rules regarding the inclusion of the foundation in an analysis specified by the code do not cover all cases and greater cognisance of the effect of the foundation stiffness on the vibration behaviour of such machine foundations is necessary. Obvious machine frequencies higher than the operational frequencies should be analysed where it is considered necessary. 24 refs., 25 tabs., 83 figs

TERAHERTZ SPECTROSCOPY AND GLOBAL ANALYSIS OF THE BENDING VIBRATIONS OF ACETYLENE 12C2D2

International Nuclear Information System (INIS)

Yu Shanshan; Drouin, Brian J.; Pearson, John C.; Pickett, Herbert M.; Lattanzi, Valerio; Walters, Adam

2009-01-01

Two hundred and fifty-one 12 C 2 D 2 transitions have been measured in the 0.2-1.6 THz region of its ν 5 -ν 4 difference band and 202 of them were observed for the first time. The accuracy of these measurements is estimated to be ranging from 50 kHz to 100 kHz. The 12 C 2 D 2 molecules were generated under room temperature by passing 120-150 mTorr D 2 O vapor through calcium carbide (CaC 2 ) powder. A multistate analysis was carried out for the bending vibrational modes ν 4 and ν 5 of 12 C 2 D 2 , which includes the lines observed in this work and prior microwave, far-infrared and infrared data on the pure bending levels. Significantly improved molecular parameters were obtained for 12 C 2 D 2 by adding the new measurements to the old data set, which had only 10 lines with microwave measurement precision. New frequency and intensity predictions have been made based on the obtained molecular parameters. The more precise measurements and new predictions reported here will support the analyses of astronomical observations by the future high-resolution spectroscopy telescopes such as Herschel, SOFIA, and ALMA, which will work in the terahertz spectral region.

Molecular and vibrational structure of the extracellular bacterial signal compound N-butyryl-homoserine lactone (C4-HSL)

DEFF Research Database (Denmark)

Bak, Jimmy; Spanget-Larsen, Jens

2009-01-01

contributions from suspended micro-crystalline aggregates and dissolved monomeric species. The key vibrational bands of the monomeric form of C4-HSL are reported here for the first time: 3425cm−1 (ν(N-H)), 1784cm−1 (ν(C&dbnd;O), lactone), 1688cm−1 (amide I), and 1494cm−1 (amide II) (CCl4)....

Theory of sum-frequency generation spectroscopy of adsorbed molecules using the density matrix method-broadband vibrational sum-frequency generation and applications

International Nuclear Information System (INIS)

Bonn, M; Ueba, H; Wolf, M

2005-01-01

A generalized theory of frequency- and time-resolved vibrational sum-frequency generation (SFG) spectroscopy of adsorbates at surfaces is presented using the density matrix formalism. Our theoretical treatment is specifically aimed at addressing issues that accompany the relatively novel SFG approach using broadband infrared pulses. The ultrashort duration of these pulses makes them ideally suited for time-resolved investigations, for which we present a complete theoretical treatment. A second key characteristic of these pulses is their large bandwidth and high intensity, which allow for highly non-linear effects, including vibrational ladder climbing of surface vibrations. We derive general expressions relating the density matrix to SFG spectra, and apply these expressions to specific experimental results by solving the coupled optical Bloch equations of the density matrix elements. Thus, we can theoretically reproduce recent experimentally demonstrated hot band SFG spectra using femtosecond broadband infrared excitation of carbon monoxide (CO) on a Ru(001) surface

Lattice vibrational properties of transition metal carbides (TiC, ZrC

Indian Academy of Sciences (India)

Lattice vibrational properties of transition metal carbides (TiC, ZrC and HfC) have been presented by including the effects of free-carrier doping and three-body interactions in the rigid shell model. The short-range overlap repulsion is operative up to the second neighbour ions. An excellent agreement has been obtained ...

Amplitude-cyclic frequency decomposition of vibration signals for bearing fault diagnosis based on phase editing

Science.gov (United States)

Barbini, L.; Eltabach, M.; Hillis, A. J.; du Bois, J. L.

2018-03-01

In rotating machine diagnosis different spectral tools are used to analyse vibration signals. Despite the good diagnostic performance such tools are usually refined, computationally complex to implement and require oversight of an expert user. This paper introduces an intuitive and easy to implement method for vibration analysis: amplitude cyclic frequency decomposition. This method firstly separates vibration signals accordingly to their spectral amplitudes and secondly uses the squared envelope spectrum to reveal the presence of cyclostationarity in each amplitude level. The intuitive idea is that in a rotating machine different components contribute vibrations at different amplitudes, for instance defective bearings contribute a very weak signal in contrast to gears. This paper also introduces a new quantity, the decomposition squared envelope spectrum, which enables separation between the components of a rotating machine. The amplitude cyclic frequency decomposition and the decomposition squared envelope spectrum are tested on real word signals, both at stationary and varying speeds, using data from a wind turbine gearbox and an aircraft engine. In addition a benchmark comparison to the spectral correlation method is presented.

approximate method for the determination of natural frequencies

African Journals Online (AJOL)

ES Obe

c = √. Gg γ. (3). The vibration of a uniform simply supported beam (Figure 1) generates a ... c fi. (i = 1, 2, 3). (4) where fi = natural frequency of vibration of the bar in the ith mode; ..... Journal sound vibration, 96(4), 437- ... Kelly, S.G. (1993).

Influence of Traffic Vehicles Against Ground Fundamental Frequency Prediction using Ambient Vibration Technique

Science.gov (United States)

Kamarudin, A. F.; Noh, M. S. Md; Mokhatar, S. N.; Anuar, M. A. Mohd; Ibrahim, A.; Ibrahim, Z.; Daud, M. E.

2018-04-01

Ambient vibration (AV) technique is widely used nowadays for ground fundamental frequency prediction. This technique is easy, quick, non-destructive, less operator required and reliable result. The input motions of ambient vibration are originally collected from surrounding natural and artificial excitations. But, careful data acquisition controlled must be implemented to reduce the intrusion of short period noise that could imply the quality of frequency prediction of an investigated site. In this study, investigation on the primary noise intrusion under peak (morning, afternoon and evening) and off peak (early morning) traffic flows (only 8 meter from sensor to road shoulder) against the stability and quality of ground fundamental frequency prediction were carried out. None of specific standard is available for AV data acquisition and processing. Thus, some field and processing parameters recommended by previous studies and guideline were considered. Two units of 1 Hz tri-axial seismometer sensor were closely positioned in front of the main entrance Universiti Tun Hussein Onn Malaysia. 15 minutes of recording length were taken during peak and off peak periods of traffic flows. All passing vehicles were counted and grouped into four classes. Three components of ambient vibration time series recorded in the North-South: NS, East-West: EW and vertical: UD directions were automatically computed into Horizontal to Vertical Spectral Ratio (HVSR), by using open source software of GEOPSY for fundamental ground frequency, Fo determination. Single sharp peak pattern of HVSR curves have been obtained at peak frequencies between 1.33 to 1.38 Hz which classified under soft to dense soil classification. Even identical HVSR curves pattern with close frequencies prediction were obtained under both periods of AV measurement, however the total numbers of stable and quality windows selected for HVSR computation were significantly different but both have satisfied the requirement

Nonlinear vibration behaviors of suspended cables under two-frequency excitation with temperature effects

Science.gov (United States)

Zhao, Yaobing; Huang, Chaohui; Chen, Lincong; Peng, Jian

2018-03-01

The aim of this paper is to investigate temperature effects on the nonlinear vibration behaviors of suspended cables under two-frequency excitation. For this purpose, two combination and simultaneous resonances are chosen and studied in detail. First of all, based on the assumptions of the temperature effects, the partial differential equations of the in-plane and out-of-plane motions with thermal effects under multi-frequency excitations are obtained. The Galerkin method is adopted to discretize the nonlinear dynamic equations, and the single-mode planar discretization is considered. Then, in the absence of the primary and internal resonances, the frequency response equations are obtained by using the multiple scales method. The stability analyses are conducted via investigating the nature of the singular points of equations. After that, temperature effects on nonlinear vibration characteristics of the first symmetric mode are studied. Parametric investigations of temperature effects on corresponding non-dimensional factors and coefficients of linear and nonlinear terms are performed. Numerical results are presented to show the temperature effects via the frequency-response curves and detuning-phase curves of four different sag-to-span ratios. It is found out that effects of temperature variations would lead to significant quantitative and/or qualitative changes of the nonlinear vibration properties, and these effects are closely related to the sag-to-span ratio and the degree of the temperature variation. Specifically, the softening/hardening-type spring behaviors, the response amplitude, the range of the resonance, the intersection and number of branches, the number and phase of the steady-state solutions are all affected by the temperature changes.

Structural Rietveld refinement and vibrational study of MgCr{sub x}Fe{sub 2−x}O{sub 4} spinel ferrites

Energy Technology Data Exchange (ETDEWEB)

Sabri, K. [Laboratoire des Sciences et technique de l’Environnement et de la Valorisation, département de Génie des Procédés, Université de Mostaganem, Mostaganem (Algeria); Rais, A., E-mail: amrais@yahoo.com [Laboratoire des Sciences et technique de l’Environnement et de la Valorisation, département de Génie des Procédés, Université de Mostaganem, Mostaganem (Algeria); Taibi, K. [Laboratoire de Science et Génie des Matériaux, USTHB, Alger, Algéria (Algeria); Moreau, M.; Ouddane, B. [Laboratory of LASIR Spectrochemistry, University of Science and Technology, 59650 Villeneuve d’Ascq (France); Addou, A. [Laboratoire des Sciences et technique de l’Environnement et de la Valorisation, département de Génie des Procédés, Université de Mostaganem, Mostaganem (Algeria)

2016-11-15

Spinel ferrites with the general formula MgCr{sub x}Fe{sub 2−x}O{sub 4} (0≤x≤1) were synthesized by the standard ceramic technique and characterized by X-ray diffraction. The XRD patterns confirmed that the mixed ferrite samples are in the cubic spinel structure which is further validated by Rietveld refinement in the space group Fd3m. The crystal structure and cell parameters were refined by Rietveld analysis. The vibrational study was achieved using Fourier Transform-InfraRed (FT-IR) and Raman spectroscopy. From FT-IR band frequencies, the force constants K{sub t} and K{sub o} , for tetrahedral (A) and octahedral (B) sites respectively, have been calculated and discussed with the trend of bond lengths obtained from Rietveld refinement. For all compositions, Raman spectra revealed the five active modes showing the vibration of O{sup 2−} ions at both the A-site and B-site ions. The frequencies trend with chromium content of both FT-IR and Raman spectra showed a shift toward higher values for all modes.

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

Science.gov (United States)

Velarde, Luis; Wang, Hong-fei

2013-08-01

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

Quantum Monte Carlo for vibrating molecules

International Nuclear Information System (INIS)

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

1996-08-01

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

Franck-Condon fingerprinting of vibration-tunneling spectra.

Science.gov (United States)

Berrios, Eduardo; Sundaradevan, Praveen; Gruebele, Martin

2013-08-15

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

Optical fiber grating vibration sensor for vibration monitoring of hydraulic pump

Science.gov (United States)

Zhang, Zhengyi; Liu, Chuntong; Li, Hongcai; He, Zhenxin; Zhao, Xiaofeng

2017-06-01

In view of the existing electrical vibration monitoring traditional hydraulic pump vibration sensor, the high false alarm rate is susceptible to electromagnetic interference and is not easy to achieve long-term reliable monitoring, based on the design of a beam of the uniform strength structure of the fiber Bragg grating (FBG) vibration sensor. In this paper, based on the analysis of the vibration theory of the equal strength beam, the principle of FBG vibration tuning based on the equal intensity beam is derived. According to the practical application of the project, the structural dimensions of the equal strength beam are determined, and the optimization design of the vibrator is carried out. The finite element analysis of the sensor is carried out by ANSYS, and the first order resonant frequency is 94.739 Hz. The vibration test of the sensor is carried out by using the vibration frequency of 35 Hz and the vibration source of 50 Hz. The time domain and frequency domain analysis results of test data show that the sensor has good dynamic response characteristics, which can realize the accurate monitoring of the vibration frequency and meet the special requirements of vibration monitoring of hydraulic pump under specific environment.

Nonlinear Microstructured Material to Reduce Noise and Vibrations at Low Frequencies

International Nuclear Information System (INIS)

Lavazec, Deborah; Cumunel, Gwendal; Duhamel, Denis; Soize, Christian; Batou, Anas

2016-01-01

At low frequencies, for which the wavelengths are wide, the acoustic waves and the mechanical vibrations cannot easily be reduced in the structures at macroscale by using dissipative materials, contrarily to the middle- and high-frequency ranges. The final objective of this work is to reduce the vibrations and the induced noise on a broad low-frequency band by using a microstructured material by inclusions that are randomly arranged in the material matrix. The dynamical regimes of the inclusions will be imposed in the nonlinear domain in order that the energy be effectively pumped over a broad frequency band around the resonance frequency, due to the nonlinearity. The first step of this work is to design and to analyze the efficiency of an inclusion, which is made up of a hollow frame including a point mass centered on a beam. This inclusion is designed in order to exhibit nonlinear geometric effects in the low-frequency band that is observed. For this first step, the objective is to develop the simplest mechanical model that has the capability to roughly predict the experimental results that are measured. The second step, which is not presented in the paper, will consist in developing a more sophisticated nonlinear dynamical model of the inclusion. In this paper, devoted to the first step, it is proved that the nonlinearity induces an attenuation on a broad frequency band around the resonance, contrarily to its linear behavior for which the attenuation is only active in a narrow frequency band around the resonance. We will present the design in terms of geometry, dimension and materials for the inclusion, the experimental manufacturing of this system realized with a 3D printing system, and the experimental measures that have been performed. We compare the prevision given by the stochastic computational model with the measurements. The results obtained exhibit the physical attenuation over a broad low-frequency band, which were expected. (paper)

Building Modern Vibration Diagnostics Systems Based on the Frequency-Time Transformations of A Measured Signal

Directory of Open Access Journals (Sweden)

Yasoveev Vasikh

2016-01-01

Full Text Available Basic methods of analysis of vibration transducers signals were reviewed. Continuous wavelet transform, being a time-frequency transform, was found to be an advanced mathematical tool for analysis of vibration signals. Experimental studies revealed obvious changes in the continuous wavelet transform spectrum depending on the existing defects. A method for detection and identification of technological violations based on the analysis of CWT spectrum components and normalized correlation coefficient was suggested. In accordance with the suggested method software for vibration diagnostics was developed.

Aplicação do método de ensaio das frequências naturais de vibração para obtenção do módulo de elasticidade de peças estruturais de madeira Analysis of the natural vibration frequency test method to obtain the modulus of elasticity of wood structural components

Directory of Open Access Journals (Sweden)

Pedro Gutemberg de Alcântara Segundinho

2012-12-01

Full Text Available Existem diversas técnicas para caracterização do módulo de elasticidade de madeiras e, dentre as atualmente empregadas, destacam-se aquelas que utilizam as frequências naturais de vibração, por serem técnicas não destrutivas e, portanto, apresentarem resultados que podem ser repetidos e comparados ao longo do tempo. Este trabalho teve como objetivo avaliar a eficácia, dos métodos de ensaios baseados nas frequências naturais de vibração comparando-os aos resultados obtidos na flexão estática na obtenção das propriedades elásticas em peças estruturais de madeira de reflorestamento que são usualmente empregadas na construção civil. Foram avaliadas 24 vigas de Eucalyptus sp. com dimensões nominais (40 x 60 x 2.000 mm e 14 vigas de Pinus oocarpa com dimensões nominais (45 x 90 x 2.300 mm, ambas sem tratamento; 30 pranchas com dimensões nominais (40 x 240 x 2.010 mm e 30 pranchas com dimensões nominais (40 x 240 x 3.050 mm, ambas de Pinnus oocarpa e com tratamento preservativo à base de Arseniato de Cobre Cromatado - CCA. Os resultados obtidos apresentaram boa correlação quando comparados aos resultados obtidos pelo método mecânico de flexão estática, especialmente quando empregada a frequência natural de vibração longitudinal. O emprego da frequência longitudinal mostrou-se confiável e prático, portanto recomendada para a determinação do módulo de elasticidade de peças estruturais de madeira. Verificou-se ainda que, empregando a frequência longitudinal, não há necessidade de um suporte específico para os corpos de prova ou calibrações prévias, reduzindo assim o tempo de execução e favorecendo o ensaio de grande quantidade de amostras.There are several techniques to characterize the elastic modulus of wood and those currently using the natural frequencies of vibration stand out as they are non-destructive techniques, producing results that can be repeated and compared over time. This study reports

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

Science.gov (United States)

Okabe, Seiji; Ishigaki, Yusuke; Omura, Takeshi

2018-04-01

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

Application of comparative vibrational spectroscopic and mechanistic studies in analysis of fisetin structure.

Science.gov (United States)

Dimitrić Marković, Jasmina M; Marković, Zoran S; Milenković, Dejan; Jeremić, Svetlana

2011-12-01

This paper addresses experimental and theoretical research in fisetin (2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one) structure by means of experimental IR and Raman spectroscopies and mechanistic calculations. Density Functional Theory calculations, with M05-2X functional and the 6-311+G (2df, p) basis set implemented in the Gaussian 09 package, are performed with the aim to support molecular structure, vibrational bands' positions and their intensities. Potential energy distribution (PED) values and the description of the largest vibrational contributions to the normal modes are calculated. The most intense bands appear in the 1650-1500 cm(-1) wavenumber region. This region involves a combination of the CO, C2C3 and C-C stretching vibrational modes. Most of the bands in the 1500-1000 cm(-1) range involve C-C stretching, O-C stretching and in-plane C-C-H, C-O-H, C-C-O and C-C-C bending vibrations of the rings. The region below 1000 cm(-1) is characteristic to the combination of in plane C-C-C-H, H-C-C-H, C-C-C-C, C-C-O-C and out of plane O-C-C-C, C-C-O-C, C-C-C-C torsional modes. The Raman spectra of baicalein and quercetin were used for qualitative comparison with fisetin spectrum and verification of band assignments. The applied detailed vibrational spectral analysis and the assignments of the bands, proposed on the basis of fundamentals, reproduced the experimental results with high degree of accuracy. Copyright © 2011 Elsevier B.V. All rights reserved.

Vibration sensor data denoising using a time-frequency manifold for machinery fault diagnosis.

Science.gov (United States)

He, Qingbo; Wang, Xiangxiang; Zhou, Qiang

2013-12-27

Vibration sensor data from a mechanical system are often associated with important measurement information useful for machinery fault diagnosis. However, in practice the existence of background noise makes it difficult to identify the fault signature from the sensing data. This paper introduces the time-frequency manifold (TFM) concept into sensor data denoising and proposes a novel denoising method for reliable machinery fault diagnosis. The TFM signature reflects the intrinsic time-frequency structure of a non-stationary signal. The proposed method intends to realize data denoising by synthesizing the TFM using time-frequency synthesis and phase space reconstruction (PSR) synthesis. Due to the merits of the TFM in noise suppression and resolution enhancement, the denoised signal would have satisfactory denoising effects, as well as inherent time-frequency structure keeping. Moreover, this paper presents a clustering-based statistical parameter to evaluate the proposed method, and also presents a new diagnostic approach, called frequency probability time series (FPTS) spectral analysis, to show its effectiveness in fault diagnosis. The proposed TFM-based data denoising method has been employed to deal with a set of vibration sensor data from defective bearings, and the results verify that for machinery fault diagnosis the method is superior to two traditional denoising methods.

Characteristic vibration patterns of odor compounds from bread-baking volatiles upon protein binding: density functional and ONIOM study and principal component analysis.

Science.gov (United States)

Treesuwan, Witcha; Hirao, Hajime; Morokuma, Keiji; Hannongbua, Supa

2012-05-01

As the mechanism underlying the sense of smell is unclear, different models have been used to rationalize structure-odor relationships. To gain insight into odorant molecules from bread baking, binding energies and vibration spectra in the gas phase and in the protein environment [7-transmembrane helices (7TMHs) of rhodopsin] were calculated using density functional theory [B3LYP/6-311++G(d,p)] and ONIOM [B3LYP/6-311++G(d,p):PM3] methods. It was found that acetaldehyde ("acid" category) binds strongly in the large cavity inside the receptor, whereas 2-ethyl-3-methylpyrazine ("roasted") binds weakly. Lys296, Tyr268, Thr118 and Ala117 were identified as key residues in the binding site. More emphasis was placed on how vibrational frequencies are shifted and intensities modified in the receptor protein environment. Principal component analysis (PCA) suggested that the frequency shifts of C-C stretching, CH(3) umbrella, C = O stretching and CH(3) stretching modes have a significant effect on odor quality. In fact, the frequency shifts of the C-C stretching and C = O stretching modes, as well as CH(3) umbrella and CH(3) symmetric stretching modes, exhibit different behaviors in the PCA loadings plot. A large frequency shift in the CH(3) symmetric stretching mode is associated with the sweet-roasted odor category and separates this from the acid odor category. A large frequency shift of the C-C stretching mode describes the roasted and oily-popcorn odor categories, and separates these from the buttery and acid odor categories.

On employing H216O, H217O, H218O, and D216O lines as frequency standards in the 15-170 cm-1 window

International Nuclear Information System (INIS)

Furtenbacher, Tibor; Csaszar, Attila G.

2008-01-01

The protocol MARVEL, standing for measured active rotational-vibrational energy levels, is used to study high-accuracy measurements of rotational lines of four isotopologues of water, H 2 16 O, H 2 17 O, H 2 18 O, and D 2 16 O, obtained by spectroscopy in the far-infrared (FIR) region of 15-170 cm -1 by Matsushima et al. [Matsushima F, Odashima H, Iwasaki T, Tsunekawa S, Takagi K. Frequency measurement of pure rotational transitions of H 2 O from 0.5 to 5 THz. J Mol Struct 1995; 352/353, 371-8; Matsushima F, Nagase H, Nakauchi T, Odashima H, Takagi K. Frequency measurement of pure rotational transitions of H 2 17 O and H 2 18 O from 0.5 to 5 THz. J Mol Spectrosc 1999;193: 217-23; Matsushima F, Matsunaga M, Qian GY, Ohtaki Y, Wang RL, Takagi K. Frequency measurement of pure rotational transitions of D 2 O from 0.5 to 5 THz. J Mol Spectrosc 2001;206: 41-6; Matsushima F, Tomatsu N, Nagai T, Moriwaki Y, Takagi K. Frequency measurement of pure rotational transitions in the v 2 =1 state of H 2 O. J Mol Spectrosc 2006;235: 190-5]. MARVEL validates the high accuracy of most of the measured line positions. It results in a considerable number of energy levels with an average internal uncertainty of only 40 kHz (2σ). It also supports serious inaccuracy problems when Watson-type A-reduced Hamiltonians are used for predicting the highly accurate rotational measurements for water. Finally, MARVEL suggests a large number of para-water levels, for example 41 for H 2 16 O, which are candidates for becoming frequency standards in the FIR region of 15-170 cm -1 (the 0.5-5 THz window) when an accuracy of about 0.1 MHz is deemed to be sufficient

Fourier Transform Spectroscopy of Carbonyl Sulfide from 4800 to 8000 cm -1and New Global Analysis of 16O 12C 32S

Science.gov (United States)

Rbaihi, E.; Belafhal, A.; Vander Auwera, J.; Naı̈m, S.; Fayt, A.

1998-09-01

We have measured the FT spectrum of natural OCS from 4800 to 8000 cm-1with a near Doppler resolution and a line-position accuracy between 2 and 8 × 10-4cm-1. For the normal isotopic species16O12C32S, 37 vibrational transitions have been analyzed for both frequencies and intensities. We also report six bands of16O12C34S, five bands of16O13C32S, two bands of16O12C33S, and two bands of18O12C32S. Important effective Herman-Wallis terms are explained by the anharmonic resonances between closely spaced states. As those results complete the study of the Fourier transform spectra of natural carbonyl sulfide from 1800 to 8000 cm-1, a new global rovibrational analysis of16O12C32S has been performed. We have determined a set of 148 molecular parameters, and a statistical agreement is obtained with all the available experimental data.

Low frequency vibration approach for assessing performance of wood floor systems

Science.gov (United States)

Xiping Wang; Robert J. Ross; Michael O. Hunt; John R. Erickson; John W. Forsman

2005-01-01

The primary means of inspecting buildings and other structures is to evaluate each structure member individually. This is a time-consuming and expensive process, particularly if sheathing or other covering materials must be removed to access the structural members. The objective of this study was to determine if a low frequency vibration method could be used to...

The effects of vibration-reducing gloves on finger vibration

Science.gov (United States)

Welcome, Daniel E.; Dong, Ren G.; Xu, Xueyan S.; Warren, Christopher; McDowell, Thomas W.

2015-01-01

Vibration-reducing (VR) gloves have been used to reduce the hand-transmitted vibration exposures from machines and powered hand tools but their effectiveness remains unclear, especially for finger protection. The objectives of this study are to determine whether VR gloves can attenuate the vibration transmitted to the fingers and to enhance the understanding of the mechanisms of how these gloves work. Seven adult male subjects participated in the experiment. The fixed factors evaluated include hand force (four levels), glove condition (gel-filled, air bladder, no gloves), and location of the finger vibration measurement. A 3-D laser vibrometer was used to measure the vibrations on the fingers with and without wearing a glove on a 3-D hand-arm vibration test system. This study finds that the effect of VR gloves on the finger vibration depends on not only the gloves but also their influence on the distribution of the finger contact stiffness and the grip effort. As a result, the gloves increase the vibration in the fingertip area but marginally reduce the vibration in the proximal area at some frequencies below 100 Hz. On average, the gloves reduce the vibration of the entire fingers by less than 3% at frequencies below 80 Hz but increase at frequencies from 80 to 400 Hz. At higher frequencies, the gel-filled glove is more effective at reducing the finger vibration than the air bladder-filled glove. The implications of these findings are discussed. Relevance to industry Prolonged, intensive exposure to hand-transmitted vibration can cause hand-arm vibration syndrome. Vibration-reducing gloves have been used as an alternative approach to reduce the vibration exposure. However, their effectiveness for reducing finger-transmitted vibrations remains unclear. This study enhanced the understanding of the glove effects on finger vibration and provided useful information on the effectiveness of typical VR gloves at reducing the vibration transmitted to the fingers. The new

The vibrating reed frequency meter : digital investigation of an early cochlear model

NARCIS (Netherlands)

Bell, Andrew; Wit, Hero P.

2015-01-01

The vibrating reed frequency meter, originally employed by Bekesy and later by Wilson as a cochlear model, uses a set of tuned reeds to represent the cochlea's graded bank of resonant elements and an elastic band threaded between them to provide nearest-neighbour coupling. Here the system,

A First-Principles Study on the Vibrational and Electronic Properties of Zr-C MXenes

Science.gov (United States)

Wang, Chang-Ying; Guo, Yong-Liang; Zhao, Yuan-Yuan; Zeng, Guang-Li; Zhang, Wei; Ren, Cui-Lan; Han, Han; Huai, Ping

2018-03-01

Within the framework of density functional theory calculations, the structural, vibrational, and electronic properties of Zr n C n - 1 (n = 2, 3, and 4) and their functionalized MXenes have been investigated. We find that the most stable configurations for Zr-C MXene are the ones that the terminal groups F, O, and OH locate on the common hollow site of the superficial Zr layer and its adjacent C layer. F and OH-terminated Zr 3 C 2 and Zr 4 C 3 have small imaginary acoustic phonon branches around Γ point while the others have no negative phonon modes. The pristine MXenes (Zr 2 C, Zr 3 C 2 and Zr 4 C 3 ) are all metallic with large DOS contributed by the Zr atom at the Fermi energy. When functionalized by F, O and OH, new hybridization states appear and the DOS at the Fermi level are reduced. Moreover, we find that their metallic characteristic increases with an increase in n. For (Zr n C n - 1 )O 2, Zr 2 CO 2 is a semiconductor, Zr 3C2O2 is a semimetal, and Zr 4 C 3O2 becomes a metal. Supported by the National Natural Science Foundation of China under Grant Nos. 11605273, 21571185, U1404111, 11504089, 21501189, 21676291, the Shanghai Municipal Science and Technology Commission 16ZR1443100, the Strategic Priority Research Program of the Chinese Academy of Sciences (XDA02040104)

Three-Dimensional Vibration Isolator for Suppressing High-Frequency Responses for Sage III Contamination Monitoring Package (CMP)

Science.gov (United States)

Li, Y.; Cutright, S.; Dyke, R.; Templeton, J.; Gasbarre, J.; Novak, F.

2015-01-01

The Stratospheric Aerosol and Gas Experiment (SAGE) III - International Space Station (ISS) instrument will be used to study ozone, providing global, long-term measurements of key components of the Earth's atmosphere for the continued health of Earth and its inhabitants. SAGE III is launched into orbit in an inverted configuration on SpaceX;s Falcon 9 launch vehicle. As one of its four supporting elements, a Contamination Monitoring Package (CMP) mounted to the top panel of the Interface Adapter Module (IAM) box experiences high-frequency response due to structural coupling between the two structures during the SpaceX launch. These vibrations, which were initially observed in the IAM Engineering Development Unit (EDU) test and later verified through finite element analysis (FEA) for the SpaceX launch loads, may damage the internal electronic cards and the Thermoelectric Quartz Crystal Microbalance (TQCM) sensors mounted on the CMP. Three-dimensional (3D) vibration isolators were required to be inserted between the CMP and IAM interface in order to attenuate the high frequency vibrations without resulting in any major changes to the existing system. Wire rope isolators were proposed as the isolation system between the CMP and IAM due to the low impact to design. Most 3D isolation systems are designed for compression and roll, therefore little dynamic data was available for using wire rope isolators in an inverted or tension configuration. From the isolator FEA and test results, it is shown that by using the 3D wire rope isolators, the CMP high-frequency responses have been suppressed by several orders of magnitude over a wide excitation frequency range. Consequently, the TQCM sensor responses are well below their qualification environments. It is indicated that these high-frequency responses due to the typical instrument structural coupling can be significantly suppressed by a vibration passive control using the 3D vibration isolator. Thermal and contamination

Measurement of Mechatronic Property of Biological Gel with Micro-Vibrating Electrode at Ultrasonic Frequency

Directory of Open Access Journals (Sweden)

Shigehiro Hashimoto

2008-10-01

Full Text Available A measurement system has been designed with a micro-vibrating electrode at ultrasonic frequency to measure local impedance of biological gel in vitro. The designed system consists of two electrodes, where one of the electrodes vibrates with a piezoelectric actuator. The component of variation at impedance between two electrodes with vibration of one electrode is analyzed at the corresponding spectrum. The manufactured system was applied to measure impedance of a physiological saline solution, a potassium chloride solution, a dextran aqueous solution, and an egg. The experimental results show that the designed system is effective to measure local mechatronic property of biological gel.

Hyperfine-resolved transition frequency list of fundamental vibration bands of H35Cl and H37Cl

Science.gov (United States)

Iwakuni, Kana; Sera, Hideyuki; Abe, Masashi; Sasada, Hiroyuki

2014-12-01

Sub-Doppler resolution spectroscopy of the fundamental vibration bands of H35Cl and H37Cl has been carried out from 87.1 to 89.9 THz. We have determined the absolute transition frequencies of the hyperfine-resolved R(0) to R(4) transitions with a typical uncertainty of 10 kHz. We have also yielded six molecular constants for each isotopomer in the vibrational excited state, which reproduce the determined frequencies with a standard deviation of about 10 kHz.

The molecular structure of the borate mineral inderite Mg(H4B3O7)(OH) · 5H2O--a vibrational spectroscopic study.

Science.gov (United States)

Frost, Ray L; López, Andrés; Xi, Yunfei; Lima, Rosa Malena Fernandes; Scholz, Ricardo; Granja, Amanda

2013-12-01

We have undertaken a study of the mineral inderite Mg(H4B3O7)(OH) · 5H2O a hydrated hydroxy borate mineral of magnesium using scanning electron microscopy, thermogravimetry and vibrational spectroscopic techniques. The structure consists of [Formula: see text] soroborate groups and Mg(OH)2(H2O)4 octahedra interconnected into discrete molecules by the sharing of two OH groups. Thermogravimetry shows a mass loss of 47.2% at 137.5 °C, proving the mineral is thermally unstable. Raman bands at 954, 1047 and 1116 cm(-1) are assigned to the trigonal symmetric stretching mode. The two bands at 880 and 916 cm(-1) are attributed to the symmetric stretching mode of the tetrahedral boron. Both the Raman and infrared spectra of inderite show complexity. Raman bands are observed at 3052, 3233, 3330, 3392 attributed to water stretching vibrations and 3459 cm(-1) with sharper bands at 3459, 3530 and 3562 cm(-1) assigned to OH stretching vibrations. Vibrational spectroscopy is used to assess the molecular structure of inderite. Copyright © 2013 Elsevier B.V. All rights reserved.

Using frequency response functions to manage image degradation from equipment vibration in the Daniel K. Inouye Solar Telescope

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, providing a significant increase in the resolution of solar data available to the scientific community. Vibration mitigation is critical in long focal-length telescopes such as the Inouye Solar Telescope, especially when adaptive optics are employed to correct for atmospheric seeing. For this reason, a vibration error budget has been implemented. Initially, the FRFs for the various mounting points of ancillary equipment were estimated using the finite element analysis (FEA) of the telescope structures. FEA analysis is well documented and understood; the focus of this paper is on the methods involved in estimating a set of experimental (measured) transfer functions of the as-built telescope structure for the purpose of vibration management. Techniques to measure low-frequency single-input-single-output (SISO) frequency response functions (FRF) between vibration source locations and image motion on the focal plane are described. The measurement equipment includes an instrumented inertial-mass shaker capable of operation down to 4 Hz along with seismic accelerometers. The measurement of vibration at frequencies below 10 Hz with good signal-to-noise ratio (SNR) requires several noise reduction techniques including high-performance windows, noise-averaging, tracking filters, and spectral estimation. These signal-processing techniques are described in detail.

Nonlinear generation of non-acoustic modes by low-frequency sound in a vibrationally relaxing gas

International Nuclear Information System (INIS)

Perelomova, A.

2010-01-01

Two dynamic equations referring to a weakly nonlinear and weakly dispersive flow of a gas in which molecular vibrational relaxation takes place, are derived. The first one governs an excess temperature associated with the thermal mode, and the second one describes variations in vibrational energy. Both quantities refer to non-wave types of gas motion. These variations are caused by the nonlinear transfer of acoustic energy into thermal mode and internal vibrational degrees of freedom of a relaxing gas. The final dynamic equations are instantaneous; they include a quadratic nonlinear acoustic source, reflecting the nonlinear character of interaction of low-frequency acoustic and non-acoustic motions of the fluid. All types of sound, periodic or aperiodic, may serve as an acoustic source of both phenomena. The low-frequency sound is considered in this study. Some conclusions about temporal behavior of non-acoustic modes caused by periodic and aperiodic sound are made. Under certain conditions, acoustic cooling takes place instead of heating. (author)

Vibrational resonances in biological systems at microwave frequencies.

Science.gov (United States)

Adair, Robert K

2002-03-01

Many biological systems can be expected to exhibit resonance behavior involving the mechanical vibration of system elements. The natural frequencies of such resonances will, generally, be in the microwave frequency range. Some of these systems will be coupled to the electromagnetic field by the charge distributions they carry, thus admitting the possibility that microwave exposures may generate physiological effects in man and other species. However, such microwave excitable resonances are expected to be strongly damped by interaction with their aqueous biological environment. Although those dissipation mechanisms have been studied, the limitations on energy transfers that follow from the limited coupling of these resonances to the electromagnetic field have not generally been considered. We show that this coupling must generally be very small and thus the absorbed energy is so strongly limited that such resonances cannot affect biology significantly even if the systems are much less strongly damped than expected from basic dissipation models.

Vibration piezoelectric energy harvester with multi-beam

Energy Technology Data Exchange (ETDEWEB)

Cui, Yan, E-mail: yanc@dlut.edu.cn; Zhang, Qunying, E-mail: zhangqunying89@126.com; Yao, Minglei, E-mail: yaomingleiok@126.com [Key Laboratory for Precision and Non-traditional Machining Technology of the Ministry of Education, Dalian University of Technology, 116024, Dalian, Liaoning Province (China); Dong, Weijie, E-mail: dongwj@dlut.edu.cn [School of Electronic and Information Engineering, Dalian University of Technology, 116024, Dalian, Liaoning Province (China); Gao, Shiqiao, E-mail: gaoshq@bit.edu.cn [State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, 100081, Beijing Province (China)

2015-04-15

This work presents a novel vibration piezoelectric energy harvester, which is a micro piezoelectric cantilever with multi-beam. The characteristics of the PZT (Pb(Zr{sub 0.53}Ti{sub 0.47})O{sub 3}) thin film were measured; XRD (X-ray diffraction) pattern and AFM (Atomic Force Microscope) image of the PZT thin film were measured, and show that the PZT (Pb(Zr{sub 0.53}Ti{sub 0.47})O{sub 3}) thin film is highly (110) crystal oriented; the leakage current is maintained in nA magnitude, the residual polarisation Pr is 37.037 μC/cm{sup 2}, the coercive field voltage Ec is 27.083 kV/cm, and the piezoelectric constant d{sub 33} is 28 pC/N. In order to test the dynamic performance of the energy harvester, a new measuring system was set up. The maximum output voltage of the single beam of the multi-beam can achieve 80.78 mV under an acceleration of 1 g at 260 Hz of frequency; the maximum output voltage of the single beam of the multi-beam is almost 20 mV at 1400 Hz frequency. .

Structure and vibrational frequencies of gaseous europium dibromide

International Nuclear Information System (INIS)

Giricheva, N.I.; Girichev, S.A.; Shlykov, S.A.; Pelipets, O.V.

2000-01-01

Structure of EuBr 2 molecule is studied in the framework of synchronous electron diffraction and mass-spectrometric experiment at the temperature of 1373(20) K. It is found that the molecule has a nonlinear equilibrium configuration, being characterized by the following effective parameters: r g (Eu - Br) = 2.767 A, r g (Br - Br) = 5.11(5) A, l g (Eu - Br) = 0.109(2) A, l g (Br - Br) = 0.388(5) A, valence angle (Br - Eu - Br) = 135.0(3.5) deg. The electron diffraction data permit ascertaining vibration frequencies ν 1 225(10) cm -1 and ν 2 = 40(4) cm -1 [ru

Low-frequency vibration treatment of bone marrow stromal cells induces bone repair in vivo.

Science.gov (United States)

He, Shengwei; Zhao, Wenzhi; Zhang, Lu; Mi, Lidong; Du, Guangyu; Sun, Chuanxiu; Sun, Xuegang

2017-01-01

To study the effect of low-frequency vibration on bone marrow stromal cell differentiation and potential bone repair in vivo . Forty New Zealand rabbits were randomly divided into five groups with eight rabbits in each group. For each group, bone defects were generated in the left humerus of four rabbits, and in the right humerus of the other four rabbits. To test differentiation, bones were isolated and demineralized, supplemented with bone marrow stromal cells, and implanted into humerus bone defects. Varying frequencies of vibration (0, 12.5, 25, 50, and 100 Hz) were applied to each group for 30 min each day for four weeks. When the bone defects integrated, they were then removed for histological examination. mRNA transcript levels of runt-related transcription factor 2, osteoprotegerin, receptor activator of nuclear factor κ-B ligan, and pre-collagen type 1 α were measured. Humeri implanted with bone marrow stromal cells displayed elevated callus levels and wider, more prevalent, and denser trabeculae following treatment at 25 and 50 Hz. The mRNA levels of runt-related transcription factor 2, osteoprotegerin, receptor activator of nuclear factor κ-B ligand, and pre-collagen type 1 α were also markedly higher following 25 and 50 Hz treatment. Low frequency (25-50 Hz) vibration in vivo can promote bone marrow stromal cell differentiation and repair bone injury.

Flexural-torsional vibration of a tapered C-section beam

Science.gov (United States)

Dennis, Scott T.; Jones, Keith W.

2017-04-01

Previous studies have shown that numerical models of tapered thin-walled C-section beams based on a stepped or piecewise prismatic beam approximation are inaccurate regardless of the number of elements assumed in the discretization. Andrade recently addressed this problem by extending Vlasov beam theory to a tapered geometry resulting in new terms that vanish for the uniform beam. (See One-Dimensional Models for the Spatial Behaviour of Tapered Thin-Walled Bars with Open Cross-Sections: Static, Dynamic and Buckling Analyses, PhD Thesis, University of Coimbra, Portugal, 2012, https://estudogeral.sib.uc.pt) In this paper, we model the coupled bending-twisting vibration of a cantilevered tapered thin-walled C-section using a Galerkin approximation of Andrade's beam equations resulting in an 8-degree-of-freedom beam element. Experimental natural frequencies and mode shapes for 3 prismatic and 2 tapered channel beams are compared to model predictions. In addition, comparisons are made to detailed shell finite element models and exact solutions for the uniform beams to confirm the validity of the approach. Comparisons to the incorrect stepped model are also presented.

The effects of an inserted linear carbon chain on the vibration of a carbon nanotube

International Nuclear Information System (INIS)

Hu, Z L; Guo, X M; Ru, C Q

2007-01-01

An elastic string-elastic shell model is developed to study the coupled vibration of a carbon nanowire made of a linear carbon chain (C-chain) inserted inside a carbon nanotube (CNT). It is shown that the vibration of the inserted C-chain is coupled with vibration of the CNT only for vibration modes with circumferential wavenumber n = 1. In other cases, such as axisymmetric modes (n = 0) or higher-order vibration modes with n≥2, total resultant van der Waals (vdW) force acting on the C-chain due to the innermost tube always vanishes, and therefore vibration of the CNT does not cause vibration of the inserted C-chain, although the existence of the C-chain does have an effect on the vibration of the CNT through the chain-CNT vdW forces acting on the innermost tube. The present model predicts that non-coaxial vibration between the C-chain and the innermost tube does not occur due to negligible bending rigidity of the C-chain. In addition, it is found that the C-chain has most significant effect on the lowest frequency associated with the radial vibration mode for circumferential wavenumber 2 (n = 2). In particular, the effect of the C-chain on the axisymmetric radial breathing frequencies (n = 0) predicted by the present model is found to be in reasonable agreement with known experimental and modeling results available in the literature. The present work offers systematic modeling results on the effects of an inserted C-chain on the vibration of CNTs

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

Science.gov (United States)

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

2013-05-01

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

Vibrational frequency analysis, FT-IR, DFT and M06-2X studies on tert-Butyl N-(thiophen-2yl)carbamate

Science.gov (United States)

Sert, Yusuf; Singer, L. M.; Findlater, M.; Doğan, Hatice; Çırak, Ç.

2014-07-01

In this study, the experimental and theoretical vibrational frequencies of a newly synthesized tert-Butyl N-(thiophen-2yl)carbamate have been investigated. The experimental FT-IR (4000-400 cm-1) spectrum of the molecule in the solid phase have been recorded. The theoretical vibrational frequencies and optimized geometric parameters (bond lengths and bond angles) have been calculated by using density functional theory (DFT/B3LYP: Becke, 3-parameter, Lee-Yang-Parr) and DFT/M06-2X (the highly parametrized, empirical exchange correlation function) quantum chemical methods with the 6-311++G(d,p) basis set by Gaussian 09W software, for the first time. The vibrational frequencies have been assigned using potential energy distribution (PED) analysis by using VEDA 4 software. The computational optimized geometric parameters and vibrational frequencies have been found to be in good agreement with the corresponding experimental data, and with related literature results. In addition, the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) energies and the other related molecular energy values have been calculated and are depicted.

Ship Vibrations

DEFF Research Database (Denmark)

Sørensen, Herman

1997-01-01

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

A study on the contribution of body vibrations to the vibratory sensation induced by high-level, complex low-frequency noise

Directory of Open Access Journals (Sweden)

Yukio Takahashi

2011-01-01

Full Text Available To investigate the contribution of body vibrations to the vibratory sensation induced by high-level, complex low-frequency noise, we conducted two experiments. In Experiment 1, eight male subjects were exposed to seven types of low-frequency noise stimuli: two pure tones [a 31.5-Hz, 100-dB(SPL tone and a 50-Hz, 100-dB(SPL tone] and five complex noises composed of the pure tones. For the complex noise stimuli, the sound pressure level of one tonal component was 100 dB(SPL and that of another one was either 90, 95, or 100 dB(SPL. Vibration induced on the body surface was measured at five locations, and the correlation with the subjective rating of the vibratory sensation at each site of measurement was examined. In Experiment 2, the correlation between the body surface vibration and the vibratory sensation was similarly examined using seven types of noise stimuli composed of a 25-Hz tone and a 50-Hz tone. In both the experiments, we found that at the chest and the abdomen, the rating of the vibratory sensation was in close correlation with the vibration acceleration level (VAL of the body surface vibration measured at each corresponding location. This was consistent with our previous results and suggested that at the trunk of the body (the chest and the abdomen, the mechanoreception of body vibrations plays an important role in the experience of the vibratory sensation in persons exposed to high-level low-frequency noise. At the head, however, no close correlation was found between the rating of the vibratory sensation and the VAL of body surface vibration. This suggested that at the head, the perceptual mechanisms of vibration induced by high-level low-frequency noise were different from those in the trunk of the body.

Isolation of I and C cabinets against shocks, vibrations and seismic movements

International Nuclear Information System (INIS)

Ciocan, George; Zamfir, Madalina; Florea, Ioana; Androne, Marian; Serban, Viorel; Prisecaru, Ilie

2007-01-01

This paper presents SERB-CITON solution to isolate the I and C cabinets against shocks, vibrations and seismic movements. The seismic qualification is required because the I and C components installed inside the cabinets are generally sensitive to shocks, vibrations and seismic movements and many times, the manufacturer does not guarantee them for a level of shocks, vibrations and seismic movements higher and equal to the level corresponding to the location where they are installed. The document also presents the solution to isolate such I and C cabinets associated to the hydrogen sulfide compressors located in ROMAG-PROD Drobeta Turnu-Severin. (authors)

Research on the Vibration Insulation of High-Speed Train Bogies in Mid and High Frequency

Directory of Open Access Journals (Sweden)

Jia Liu

2018-01-01

Full Text Available According to a large amount of the test data, the mid and high frequency vibrations of high-speed bogies are very notable, especially in the 565~616 Hz range, which are just the passing frequencies corresponding to the 22nd to 24th polygonal wear of the wheel. In order to investigate the main cause of wheel higher-order polygon formation, a 3D flexible model of a Chinese high-speed train bogie is developed using the explicit finite element method. The results show that the couple vibration of bogie and wheelset may lead to the high-order wears of wheel. In order to reduce the coupled resonance of the wheelset and the bogie frame, the effects of the stiffness and damping of the primary suspensions, wheelset axle radius, and bogie frame strength on the vibration transmissibility are discussed carefully. The numerical results show that the resonance peaks in high frequency range can be reduced by reducing the stiffness of axle box rotary arm joint, reducing the wheelset axle radius or strengthening the bogie frame location. The related results may provide a reference for structure improvement of the existing bogies and structure design of the new high-speed bogies.

Balancing Vibrations at Harmonic Frequencies by Injecting Harmonic Balancing Signals into the Armature of a Linear Motor/Alternator Coupled to a Stirling Machine

Science.gov (United States)

Holliday, Ezekiel S. (Inventor)

2014-01-01

Vibrations at harmonic frequencies are reduced by injecting harmonic balancing signals into the armature of a linear motor/alternator coupled to a Stirling machine. The vibrations are sensed to provide a signal representing the mechanical vibrations. A harmonic balancing signal is generated for selected harmonics of the operating frequency by processing the sensed vibration signal with adaptive filter algorithms of adaptive filters for each harmonic. Reference inputs for each harmonic are applied to the adaptive filter algorithms at the frequency of the selected harmonic. The harmonic balancing signals for all of the harmonics are summed with a principal control signal. The harmonic balancing signals modify the principal electrical drive voltage and drive the motor/alternator with a drive voltage component in opposition to the vibration at each harmonic.

Orientations of nonlocal vibrational modes from combined experimental and theoretical sum frequency spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Chase, Hilary M.; Chen, Shunli; Fu, Li; Upshur, Mary Alice; Rudshteyn, Benjamin; Thomson, Regan J.; Wang, Hong-Fei; Batista, Victor S.; Geiger, Franz M.

2017-09-01

Inferring molecular orientations from vibrational sum frequency generation (SFG) spectra is challenging in polarization combinations that result in low signal intensities, or when the local point group symmetry approximation fails. While combining experiments with density functional theory (DFT) could overcome this problem, the scope of the combined method has yet to be established. Here, we assess its feasibility of determining the distributions of molecular orientations for one monobasic ester, two epoxides and three alcohols at the vapor/fused silica interface. We find that molecular orientations of nonlocal vibrational modes cannot be determined using polarization-resolved SFG measurements alone.

Distinguishing Nitro vs Nitrito Coordination in Cytochrome c' Using Vibrational Spectroscopy and Density Functional Theory.

Science.gov (United States)

Nilsson, Zach N; Mandella, Brian L; Sen, Kakali; Kekilli, Demet; Hough, Michael A; Moënne-Loccoz, Pierre; Strange, Richard W; Andrew, Colin R

2017-11-06

Nitrite coordination to heme cofactors is a key step in the anaerobic production of the signaling molecule nitric oxide (NO). An ambidentate ligand, nitrite has the potential to coordinate via the N- (nitro) or O- (nitrito) atoms in a manner that can direct its reactivity. Distinguishing nitro vs nitrito coordination, along with the influence of the surrounding protein, is therefore of particular interest. In this study, we probed Fe(III) heme-nitrite coordination in Alcaligenes xylosoxidans cytochrome c' (AXCP), an NO carrier that excludes anions in its native state but that readily binds nitrite (K d ∼ 0.5 mM) following a distal Leu16 → Gly mutation to remove distal steric constraints. Room-temperature resonance Raman spectra (407 nm excitation) identify ν(Fe-NO 2 ), δ(ONO), and ν s (NO 2 ) nitrite ligand vibrations in solution. Illumination with 351 nm UV light results in photoconversion to {FeNO} 6 and {FeNO} 7 states, enabling FTIR measurements to distinguish ν s (NO 2 ) and ν as (NO 2 ) vibrations from differential spectra. Density functional theory calculations highlight the connections between heme environment, nitrite coordination mode, and vibrational properties and confirm that nitrite binds to L16G AXCP exclusively through the N atom. Efforts to obtain the nitrite complex crystal structure were hampered by photochemistry in the X-ray beam. Although low dose crystal structures could be modeled with a mixed nitrite (nitro)/H 2 O distal population, their photosensitivity and partial occupancy underscores the value of the vibrational approach. Overall, this study sheds light on steric determinants of heme-nitrite binding and provides vibrational benchmarks for future studies of heme protein nitrite reactions.

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.

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

International Nuclear Information System (INIS)

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

2010-01-01

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

The workings of a molecular thermometer: the vibrational excitation of carbon tetrachloride by a solvent.

Science.gov (United States)

Graham, Polly B; Matus, Kira J M; Stratt, Richard M

2004-09-15

An intriguing energy-transfer experiment was recently carried out in methanol/carbon tetrachloride solutions. It turned out to be possible to watch vibrational energy accumulating in three of carbon tetrachloride's modes following initial excitation of O-H and C-H stretches in methanol, in effect making those CCl(4) modes "molecular thermometers" reporting on methanol's relaxation. In this paper, we use the example of a CCl(4) molecule dissolved in liquid argon to examine, on a microscopic level, just how this kind of thermal activation occurs in liquid solutions. The fact that even the lowest CCl(4) mode has a relatively high frequency compared to the intermolecular vibrational band of the solvent means that the only solute-solvent dynamics relevant to the vibrational energy transfer will be extraordinarily local, so much so that it is only the force between the instantaneously most prominent Cl and solvent atoms that will significantly contribute to the vibrational friction. We use this observation, within the context of a classical instantaneous-pair Landau-Teller calculation, to show that energy flows into CCl(4) primarily via one component of the nominally degenerate, lowest frequency, E mode and does so fast enough to make CCl(4) an excellent choice for monitoring methanol relaxation. Remarkably, within this theory, the different symmetries and appearances of the different CCl(4) modes have little bearing on how well they take up energy from their surroundings--it is only how high their vibrational frequencies are relative to the solvent intermolecular vibrational band edge that substantially favors one mode over another.

Investigation of a vibration-damping unit for reduction in low-frequency vibrations of electric motors

Science.gov (United States)

Grigoryey, N. V.; Fedorovich, M. A.

1973-01-01

The vibroacoustical characteristics of different types of electric motors are discussed. It is shown that the basic source of low frequency vibrations is rotor unbalance. A flexible damping support, with an antivibrator, is used to obtain the vibroacoustical effect of reduction in the basic harmonic of the electric motor. A model of the electric motor and the damping apparatus is presented. Mathematical models are developed to show the relationships of the parameters. The basic purpose in using a calculation model id the simultaneous replacement of the exciting force created by the rotor unbalance and its inertial rigidity characteristics by a limiting kinematic disturbance.

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.

The effect of an external electric field on the vibrational frequency of CO

Science.gov (United States)

Bauschlicher, C. W., Jr.

1985-01-01

Ab initio calculations, using a CAS SCF wavefunction and extended basis set, show a change in the vibrational frequency with electric field strength for the ground 1sigma(+) state of CO of one third that observed for CO/Ni(110). This result supports the view of Lambert.

Low Frequency Vibration approach to asess the Performance of wood structural Systems

Science.gov (United States)

Xiping Wang; Robert J. Ross; Michael O. Hunt

2004-01-01

The primary means of inspecting buildings and other structures is to evaluate each structure member individually. This is a time consuming process that is expensive, particularly if sheathing or other covering materials must be removed to access the structural members. This paper presents an effort to use a low frequency vibration method for assessing the structural...

Low-frequency vibration treatment of bone marrow stromal cells induces bone repair in vivo

Directory of Open Access Journals (Sweden)

Shengwei He

2017-01-01

Full Text Available Objective(s:To study the effect of low-frequency vibration on bone marrow stromal cell differentiation and potential bone repair in vivo. Materials and Methods:Forty New Zealand rabbits were randomly divided into five groups with eight rabbits in each group. For each group, bone defects were generated in the left humerus of four rabbits, and in the right humerus of the other four rabbits. To test differentiation, bones were isolated and demineralized, supplemented with bone marrow stromal cells, and implanted into humerus bone defects. Varying frequencies of vibration (0, 12.5, 25, 50, and 100 Hz were applied to each group for 30 min each day for four weeks. When the bone defects integrated, they were then removed for histological examination. mRNA transcript levels of runt-related transcription factor 2, osteoprotegerin, receptor activator of nuclear factor k-B ligan, and pre-collagen type 1 a were measured. Results:Humeri implanted with bone marrow stromal cells displayed elevated callus levels and wider, more prevalent, and denser trabeculae following treatment at 25 and 50 Hz. The mRNA levels of runt-related transcription factor 2, osteoprotegerin, receptor activator of nuclear factor k-B ligand, and pre-collagen type 1 a were also markedly higher following 25 and 50 Hz treatment. Conclusion:Low frequency (25–50 Hz vibration in vivo can promote bone marrow stromal cell differentiation and repair bone injury.

Synthesis and X-ray crystal structure of (OsO(3)F(2))(2)2XeOF(4) and the Raman spectra of (OsO(3)F(2))(infinity), (OsO(3)F(2))(2), and (OsO(3)F(2))(2)2XeOF(4).

Science.gov (United States)

Hughes, Michael J; Mercier, Hélène P A; Schrobilgen, Gary J

2009-05-18

The adduct, (OsO(3)F(2))(2)2XeOF(4), was synthesized by dissolution of the infinite chain polymer, (OsO(3)F(2))(infinity), in XeOF(4) solvent at room temperature followed by removal of excess XeOF(4) under dynamic vacuum at 0 degrees C. Continued pumping at 0 degrees C resulted in removal of associated XeOF(4), yielding (OsO(3)F(2))(2), a new low-temperature phase of OsO(3)F(2). Upon standing at 25 degrees C for 1(1)/(2) h, (OsO(3)F(2))(2) underwent a phase transition to the known monoclinic phase, (OsO(3)F(2))(infinity). The title compounds, (OsO(3)F(2))(infinity), (OsO(3)F(2))(2), and (OsO(3)F(2))(2)2XeOF(4) have been characterized by low-temperature (-150 degrees C) Raman spectroscopy. Crystallization of (OsO(3)F(2))(2)2XeOF(4) from XeOF(4) solution at 0 degrees C yielded crystals suitable for X-ray structure determination. The structural unit contains the (OsO(3)F(2))(2) dimer in which the OsO(3)F(3) units are joined by two Os---F---Os bridges having fluorine bridge atoms that are equidistant from the osmium centers (2.117(5) and 2.107(4) A). The dimer coordinates to two XeOF(4) molecules through Os-F...Xe bridges in which the Xe...F distances (2.757(5) A) are significantly less than the sum of the Xe and F van der Waals radii (3.63 A). The (OsO(3)F(2))(2) dimer has C(i) symmetry in which each pseudo-octahedral OsO(3)F(3) unit has a facial arrangement of oxygen ligands with XeOF(4) molecules that are only slightly distorted from their gas-phase C(4v) symmetry. Quantum-chemical calculations using SVWN and B3LYP methods were employed to calculate the gas-phase geometries, natural bond orbital analyses, and vibrational frequencies of (OsO(3)F(2))(2), (OsO(3)F(2))(2)2XeOF(4), XeOF(4), OsO(2)F(4), and (mu-FOsO(3)F(2))(2)OsO(3)F(-) to aid in the assignment of the experimental vibrational frequencies of (OsO(3)F(2))(2), (OsO(3)F(2))(2)2XeOF(4), and (OsO(3)F(2))(infinity). The vibrational modes of the low-temperature polymeric phase, (OsO(3)F(2))(infinity), have been

Derivatives of buckling loads and vibration frequencies with respect to stiffness and initial strain parameters

Science.gov (United States)

Haftka, Raphael T.; Cohen, Gerald A.; Mroz, Zenon

1990-01-01

A uniform variational approach to sensitivity analysis of vibration frequencies and bifurcation loads of nonlinear structures is developed. Two methods of calculating the sensitivities of bifurcation buckling loads and vibration frequencies of nonlinear structures, with respect to stiffness and initial strain parameters, are presented. A direct method requires calculation of derivatives of the prebuckling state with respect to these parameters. An adjoint method bypasses the need for these derivatives by using instead the strain field associated with the second-order postbuckling state. An operator notation is used and the derivation is based on the principle of virtual work. The derivative computations are easily implemented in structural analysis programs. This is demonstrated by examples using a general purpose, finite element program and a shell-of-revolution program.

Image quality analysis of vibration effects In C-arm-flat panel X-ray imaging

NARCIS (Netherlands)

Snoeren, R.M.; Kroon, J.N.; With, de P.H.N.

2011-01-01

The motion of C-arm scanning X-ray systems may result in vibrations of the imaging sub-system. In this paper, we connect C-arm system vibrations to Image Quality (IQ) deterioration for 2D angiography and 3D cone beam X-ray imaging, using large Flat Panel detectors. Vibrations will affect the

Localized vibrations in superconducting YB a2C u3O7 revealed by ultrafast optical coherent spectroscopy

Science.gov (United States)

Novelli, Fabio; Giovannetti, Gianluca; Avella, Adolfo; Cilento, Federico; Patthey, Luc; Radovic, Milan; Capone, Massimo; Parmigiani, Fulvio; Fausti, Daniele

2017-05-01

The interaction between phonons and high-energy excitations of electronic origin in cuprates and their role in the superconducting mechanisms is still controversial. Here we use coherent vibrational time-domain spectroscopy together with density functional and dynamical mean-field theory calculations to establish a direct link between the c -axis phonon modes and the in-plane electronic charge excitations in optimally doped YB a2C u3O7 . The nonequilibrium Raman tensor is measured by means of the broadband "coherent-phonon" response in pump-probe experiments and is qualitatively described by our model using density functional theory in the frozen-phonon approximation plus single-band dynamical mean-field theory to account for the electronic correlations. The major outcome of our experimental and theoretical study is to establish the link between out-of-plane copper ion displacements and the in-plane electronic correlations, and to estimate at a few unit cells the correlation length of the associated phonon mode. The approach introduced here could help in revealing the complex interplay between fluctuations of different nature and spatial correlation in several strongly correlated materials.

On the differences between 1.5oC and 2oC of global warming

Science.gov (United States)

King, A.

2017-12-01

The Paris Agreement of 2015 has resulted in a drive to limit global warming to 2oC with an aim for a lower 1.5oC target. It is therefore vital that we understand some of the differences we would expect between these two levels of global warming. My research uses coupled climate model projections to investigate where and for what variables we can differentiate between worlds of 1.5oC and 2oC global warming. I place a particular focus on climate extremes and population exposure to those extremes. I have found that there are perceptible benefits in limiting global warming to 1.5oC as opposed to 2oC through reduced frequency and intensity of heat extremes, both over land and in ocean areas where thermal stress on coral has resulted in bleaching. Differences in high and low precipitation extremes between the 1.5oC and 2oC global warming levels are projected for some regions. I have also examined how "scalable" changes from the 1.5oC to 2oC level are. In areas of the world such as Eastern China I find that changes in anthropogenic aerosol concentrations will influence the level of change projected at 1.5oC and 2oC, such that past warming is likely to be a poor indicator of future changes. Overall, my research finds clear benefits to limiting global warming to 1.5oC relative to higher levels.

Intrinsic Chirality and Prochirality at Air/R-(+)- and S-(-)-Limonene Interfaces: Spectral Signatures with Interference Chiral Sum-Frequency Generation Vibrational Spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Fu, Li; Zhang, Yun; Wei, Zhehao; Wang, Hongfei

2014-06-04

We report in this work detailed measurements on the chiral and achiral sum-frequency vibrational spectra in the C-H stretching vibration region (2800-3050cm-1) of the air/liquid interfaces of R-limonene and S-limonene, using the recently developed high-resolution broadband sum-frequency generation vibrational spectroscopy (HR-BB-SFG-VS). The achiral SFG spectra of R-limonene and S-limonene, as well as the equal amount (50/50) racemic mixture show that the enantiomers are with the same interfacial orientations. The interference chiral SFG spectra of the limonene enantiomers exhibit spectral signature from chiral response of the Cα-H stretching mode, and spectral signature from prochiral response of the CH2 asymmetric stretching mode, respectively. The chiral spectral feature of the Cα-H stretching mode changes sign from R-limonene to S-limonene, and disappears for the 50/50 racemic mixture. While the prochiral spectral feature of the CH2 asymmetric stretching mode is the same for R-limonene and S-limonene, and also surprisingly remains the same for the 50/50 racemic mixture. These results provided detail information in understanding the structure and chirality of molecular interfaces, and demonstrated the sensitivity and potential of SFG-VS as unique spectroscopic tool for chirality characterization and chiral recognition at the molecular interface.

VIBRATION ISOLATION SYSTEM PROBABILITY ANALYSIS

Directory of Open Access Journals (Sweden)

Smirnov Vladimir Alexandrovich

2012-10-01

Full Text Available The article deals with the probability analysis for a vibration isolation system of high-precision equipment, which is extremely sensitive to low-frequency oscillations even of submicron amplitude. The external sources of low-frequency vibrations may include the natural city background or internal low-frequency sources inside buildings (pedestrian activity, HVAC. Taking Gauss distribution into account, the author estimates the probability of the relative displacement of the isolated mass being still lower than the vibration criteria. This problem is being solved in the three dimensional space, evolved by the system parameters, including damping and natural frequency. According to this probability distribution, the chance of exceeding the vibration criteria for a vibration isolation system is evaluated. Optimal system parameters - damping and natural frequency - are being developed, thus the possibility of exceeding vibration criteria VC-E and VC-D is assumed to be less than 0.04.

Refinements in the vibration frequencies of H3+ and D3+

International Nuclear Information System (INIS)

Carney, G.D.

1980-01-01

Refinements in vibration intervals of the order of 1 per cent are reported for H 3 + and D 3 + . These improved intervals result from the addition of polarization terms to the electronic wavefunction previously obtained with a complete configuration-interaction treatment of electron correlation using a 21 floating gaussian lobe basis. Twelve additional floating gaussian lobe orbitals were used to construct 78 additional configuration-interaction functions. Positions and exponents of these additional floating gaussian lobe orbitals were carefully chosen to allow for polarization of the correlated wavefunctions. Calculated vibrational state-averaged and observed geometries for H 3 + agree to within 0.01 A; refined fundamental frequencies are νsub(A) = 3220.48 and νsub(E) = 2545.99 cm -1 for H 3 + , and νsub(A) = 2332.94 and νsub(E) = 1848.12 cm -1 for D 3 + . Einstein coefficients for spontaneous emission of radiation from infrared active states of H 3 + and D 3 + are reported, and an alternative to the Carney-Porter method of vibration analysis is used to confirm the accuracy of their method for axial molecules such as H 3 + . (author)

Frequency Dependence of C-V Characteristics of MOS Capacitors Containing Nanosized High-κ Ta2O5 Dielectrics

Directory of Open Access Journals (Sweden)

Nenad Novkovski

2017-01-01

Full Text Available Capacitance of metal–insulator–Si structures containing high permittivity dielectric exhibits complicated behaviour when voltage and frequency dependencies are studied. From our study on metal (Al, Au, W–Ta2O5/SiO2–Si structures, we identify serial C-R measurement mode to be more convenient for use than the parallel one usually used in characterization of similar structures. Strong frequency dependence that is not due to real variations in the dielectric permittivity of the layers is observed. Very high capacitance at low frequencies is due to the leakage in Ta2O5 layer. We found that the above observation is mainly due to different leakage current mechanisms in the two different layers composing the stack. The effect is highly dependent on the applied voltage, since the leakage currents are strongly nonlinear functions of the electric field in the layers. Additionally, at low frequencies, transition currents influence the measured value of the capacitance. From the capacitance measurements several parameters are extracted, such as capacitance in accumulation, effective dielectric constant, and oxide charges. Extracting parameters of the studied structures by standard methods in the case of high-κ/interfacial layer stacks can lead to substantial errors. Some cases demonstrating these deficiencies of the methods are presented and solutions for obtaining better results are proposed.

Research on a new type of precision cropping method with variable frequency vibration

Institute of Scientific and Technical Information of China (English)

无

2007-01-01

Aiming at the cropping operations widely applied in practical industry production, a new method of bar cropping is presented. The rotational speeds of actuating motor of eccentric blocks are controlled by a frequency-changer, and the shearing die provides the bar with the controllable force, frequency and amplitude of vibration. By utilizing the stress concentration at the bottom of V shape groove on the bar, the low stress bar cropping is realized. The bar cropping experiments of duralumin alloy and steel ...

Natural Frequencies Evaluation on Partially Damaged Building using Ambient Vibration Technique

Science.gov (United States)

Kamarudin, A. F.; Zainal Abidin, M. H.; Daud, M. E.; Noh, M. S. Md; Madun, A.; Ibrahim, A.; Matarul, J.; Mokhatar, S. N.

2018-04-01

Severe damages observed on the school blocks, roads, retaining walls and drainage within the compound of SMK Kundasang Sabah possibly due to the ground movements triggered by the Ranau earthquake in 1991. Ambient vibration measurements were carried on the remaining demolished 3-storey building which partially damaged in order to measure the predominant building frequencies using tri-axial 1 Hz seismometer sensors. Popular methods of Horizontal-to-vertical spectral ratios (HVSR) and Fourier amplitude spectra (FAS) were used to compute the ambient vibration wave fields of each building axes (Transverse or North-South (NS), Longitudinal or East-West (EW) and vertical) into Fourier spectra. Two main modes of translation and torsion were observed from the peaks frequencies obtained at 2.99 to 3.10 Hz (1st mode), 4.85 Hz (2nd mode) and 5.63 to 5.85 Hz (3rd mode). The building experiencing translation modes of bending and shear in the NS and EW directions. It could be seen when the amplitudes tends to increase when the floor are increased. Meanwhile, the torsional bending mode is expected to occur when the deformation amplitudes are found to be increasing horizontally, when moving into partially structural damaged section located on the East wing of building.

Annealing temperature effects on the magnetic properties and induced defects in C/N/O implanted MgO

Science.gov (United States)

Li, Qiang; Ye, Bonian; Hao, Yingping; Liu, Jiandang; Kong, Wei; Ye, Bangjiao

2013-02-01

Virgin MgO single crystals were implanted with 70 keV C/N/O ions at room temperature to a dose of 2 × 1017/cm2. After implantation the samples showed room temperature hysteresis in magnetization loops. The annealing effects on the magnetic properties and induced defects of these samples were determined by vibrating sample magnetometer and positron annihilation spectroscopy, respectively. The experimental results indicate that ferromagnetism can be introduced to MgO single crystals by doping with C, N or introduction of Mg related vacancy defects. However, the Mg vacancies coexistence with C or N ions in the C-/N-implanted samples may play a negative role in magnetic performance in these MgO samples. The rapid increase of magnetic moment in O-implanted sample is attributed to the formation of new type of vacancy defects.

Low-frequency, low-magnitude vibrations (LFLM enhances chondrogenic differentiation potential of human adipose derived mesenchymal stromal stem cells (hASCs

Directory of Open Access Journals (Sweden)

Krzysztof Marycz

2016-02-01

Full Text Available The aim of this study was to evaluate if low-frequency, low-magnitude vibrations (LFLM could enhance chondrogenic differentiation potential of human adipose derived mesenchymal stem cells (hASCs with simultaneous inhibition of their adipogenic properties for biomedical purposes. We developed a prototype device that induces low-magnitude (0.3 g low-frequency vibrations with the following frequencies: 25, 35 and 45 Hz. Afterwards, we used human adipose derived mesenchymal stem cell (hASCS, to investigate their cellular response to the mechanical signals. We have also evaluated hASCs morphological and proliferative activity changes in response to each frequency. Induction of chondrogenesis in hASCs, under the influence of a 35 Hz signal leads to most effective and stable cartilaginous tissue formation through highest secretion of Bone Morphogenetic Protein 2 (BMP-2, and Collagen type II, with low concentration of Collagen type I. These results correlated well with appropriate gene expression level. Simultaneously, we observed significant up-regulation of α3, α4, β1 and β3 integrins in chondroblast progenitor cells treated with 35 Hz vibrations, as well as Sox-9. Interestingly, we noticed that application of 35 Hz frequencies significantly inhibited adipogenesis of hASCs. The obtained results suggest that application of LFLM vibrations together with stem cell therapy might be a promising tool in cartilage regeneration.

Normal vibrations in gallium arsenide

International Nuclear Information System (INIS)

Dolling, G.; Waugh, J.L.T.

1964-01-01

The triple axis crystal spectrometer at Chalk River has been used to observe coherent slow neutron scattering from a single crystal of pure gallium arsenide at 296 o K. The frequencies of normal modes of vibration propagating in the [ζ00], (ζζζ], and (0ζζ] crystal directions have been determined with a precision of between 1 and 2·5 per cent. A limited number of normal modes have also been studied at 95 and 184 o K. Considerable difficulty was experienced in obtaining welt resolved neutron peaks corresponding to the two non-degenerate optic modes for very small wave-vector, particularly at 296 o K. However, from a comparison of results obtained under various experimental conditions at several different points in reciprocal space, frequencies (units 10 12 c/s) for these modes (at 296 o K) have been assigned: T 8·02±0·08 and L 8·55±02. Other specific normal modes, with their measured frequencies are (a) (1,0,0): TO 7·56 ± 008, TA 2·36 ± 0·015, LO 7·22 ± 0·15, LA 6·80 ± 0·06; (b) (0·5, 0·5, 0·5): TO 7·84 ± 0·12, TA 1·86 ± 0·02, LO 7·15 ± 0·07, LA 6·26 ± 0·10; (c) (0, 0·65, 0·65): optic 8·08 ±0·13, 7·54 ± 0·12 and 6·57 ± 0·11, acoustic 5·58 ± 0·08, 3·42 · 0·06 and 2·36 ± 004. These results are generally slightly lower than the corresponding frequencies for germanium. An analysis in terms of various modifications of the dipole approximation model has been carried out. A feature of this analysis is that the charge on the gallium atom appears to be very small, about +0·04 e. The frequency distribution function has been derived from one of the force models. (author)

Fabrication and characterization of non-resonant magneto-mechanical low-frequency vibration energy harvester

Science.gov (United States)

Nammari, Abdullah; Caskey, Logan; Negrete, Johnny; Bardaweel, Hamzeh

2018-03-01

This article presents a non-resonant magneto-mechanical vibration energy harvester. When externally excited, the energy harvester converts vibrations into electric charge using a guided levitated magnet oscillating inside a multi-turn coil that is fixed around the exterior of the energy harvester. The levitated magnet is guided using four oblique mechanical springs. A prototype of the energy harvester is fabricated using additive manufacturing. Both experiment and model are used to characterize the static and dynamic behavior of the energy harvester. Measured restoring forces show that the fabricated energy harvester retains a mono-stable potential energy well with desired stiffness nonlinearities. Results show that magnetic spring results in hardening effect which increases the resonant frequency of the energy harvester. Additionally, oblique mechanical springs introduce geometric, negative, nonlinear stiffness which improves the harvester's response towards lower frequency spectrum. The unique design can produce a tunable energy harvester with multi-well potential energy characteristics. A finite element model is developed to estimate the average radial flux density experienced by the multi-turn coil. Also, a lumped parameter model of the energy harvester is developed and validated against measured data. Both upward and downward frequency sweeps are performed to determine the frequency response of the harvester. Results show that at higher excitation levels hardening effects become more apparent, and the system dynamic response turns into non-resonant. Frequency response curves exhibit frequency jump phenomena as a result of coexistence of multiple energy states at the frequency branch. The fabricated energy harvester is hand-held and measures approximately 100.5 [cm3] total volume. For a base excitation of 1.0 g [m/s2], the prototype generates a peak voltage and normalized power density of approximately 3.5 [V] and 0.133 [mW/cm3 g2], respectively, at 15.5 [Hz].

Analysis of molecular structure and vibrational spectra of hexadecyl (cetyl) trimethylammonium brode (CTAB)

International Nuclear Information System (INIS)

Goekce, H.; Bahceli, S.

2010-01-01

FT-IR and Raman spectra of CTAB [C 1 6H 3 3N(CH 3 ) 3 ] + Br - have been experimentally recorded in the region 550-4000 cm - 1 and 400-3100 cm - 1, respectively. The molecular geometry and vibrational frequencies of CTAB in the ground state have been calculated by using ab initio Hartree-Fock (HF) and density functional theory (DFT/B3LYP) methods with the 6-31+G(d,p) basis set. The obtained optimized geometric parameters (bond lengths and bond angles) and vibrational frequencies were in very good agreement with the experimental data. The comparisons of the observed fundamental vibrational frequencies and calculated results for the fundamental vibrational frequencies of CTAB shows that the scaled B3LYP method is superior compared to the scaled HF method.

Effects of Sm3+/Yb3+ co-doping and temperature on the Raman, IR spectra and structure of [TeO2-GeO2-K2O-Sm2O3/Yb2O3] glasses

International Nuclear Information System (INIS)

Shaltout, I.; Badr, Y.

2006-01-01

Effects of Sm 3+ /Yb 3+ co-doping on Raman scattering, IR absorption, temperature dependence of the Raman spectra up to 210 o C and the structure of two glass systems of the composition (80TeO 2 -10GeO 2 -8K 2 O-2Sm 2 O 3 /Yb 2 O 3 ) is discussed. It was found that the addition of Yb 3+ to the glass very strongly enhances the intensities of the antistokes' Raman bands at 155, 375, 557 and 828 cm -1 and quenches both the intensities of the stokes' vibration modes of the TeO 4 units in the range of 120-770 cm -1 and the intensities of the OH - stretching vibration modes in the range of 2600-3300 cm -1 . Sm 2 O 3 /Yb 2 O 3 rare earth co-doping has a great influence on removing and/or changing the nature of the OH - groups. The appearance and splitting of the stretching vibration modes of the OH - groups at lower frequencies (2770, 2970 cm -1 ) for the Sm +3 singly doped glass sample, compared to the band at ∼3200 cm -1 for the Sm 3+ /Yb 3+ co-doped glass sample, suggested that the OH - groups are more strongly bonded and incorporated with the glass matrix for the singly doped glass. Heating the sample up continuously weakens the hydrogen bonding of the OH - groups to the glass matrix leading to creation of NBO and breakdown of the connectivity of the OH - groups to the TeO 4 , TeO 3+1 and TeO 3 structural units. Raman bands at 286, 477, 666 and 769 cm -1 were assigned to its respective vibrations of Te 2 O 7 , TeO 4 -4 species, the (Te-O-Te) bending vibrations of the TeO 4 triagonal bipyramids (tbps), the axial symmetric stretching vibration modes (Te ax -O) s with bridging oxygen BO atoms and to the (Te-O) nbo non-bridging stretching vibration modes of the TeO 3+1 and/or TeO 3 pyramids

Frequency tuning and directional sensitivity of tympanal vibrations in the field cricket Gryllus bimaculatus

DEFF Research Database (Denmark)

Lankheet, Martin J.; Cerkvenik, Uroš; Larsen, Ole Næsbye

2017-01-01

Female field crickets use phonotaxis to locate males by their calling song. Male song production and female behavioural sensitivity form a pair of matched frequency filters, which in Gryllus bimaculatus are tuned to a frequency of about 4.7 kHz. Directional sensitivity is supported by an elaborate...... play a major role in tuning directional sensitivity to the calling song frequency, by measuring tympanal vibrations as a function of sound direction and frequency. Rather than sharp frequency tuning of directional sensitivity corresponding to the calling song, we found broad frequency tuning......, with optima shifted to higher frequencies. These findings agree with predictions from a vector summation model for combining external and internal sounds. We show that the model provides robust directional sensitivity that is, however, broadly tuned with an optimum well above the calling song frequency. We...

Circularly polarized infrared and visible sum-frequency-generation spectroscopy: Vibrational optical activity measurement

International Nuclear Information System (INIS)

Cheon, Sangheon; Cho, Minhaeng

2005-01-01

Vibrational optical activity spectroscopies utilizing either circularly polarized ir or circularly polarized visible beams were theoretically investigated by considering the infrared and visible sum-frequency-generation (IV-SFG) schemes. In addition to the purely electric dipole-allowed chiral component of the IV-SFG susceptibility, the polarizability-electric quadrupole hyperpolarizability term also contributes to the vibrationally resonant IV-SFG susceptibility. The circular-intensity-difference signal is shown to be determined by the interferences between the all-electric dipole-allowed chiral component and the polarizability-electric-dipole or electric-dipole-electric-quadrupole Raman optical activity tensor components. The circularly polarized SFG methods are shown to be potentially useful coherent spectroscopic tools for determining absolute configurations of chiral molecules in condensed phases

Effect of rare earth oxide on the properties of laser cladding layer and machining vibration suppressing in side milling

International Nuclear Information System (INIS)

Zhao, Yanhua; Sun, Jie; Li, Jianfeng

2014-01-01

Highlights: • A novel laser cladding powder is developed which can reduce the machining vibration. • The machining vibrations of coating are reduced and the chatter is avoided occurring. • The vibration-suppressing mechanism is analyzed. • The hardness and wear resistance of coatings are improved significantly. - Abstract: Laser cladding, which can increase the hardness and wear resistance of the used components, is widely used in remanufacture and sustainable manufacturing field. Generally, laser cladding layer should to be machined to meet the function as well as the assembly requirements. Milling is an effective mean for precision machining. However, there exist great differences of physical and mechanical performances between laser cladding layer and substrate material, including microstructure, hardness, wear resistance, etc. This produces some new milling problems for laser cladding layer, such as machining vibration which may lead to low productivity and worse surface integrity. Thus, it is necessary to develop a novel laser cladding powder which can improve the surface hardness and wear resistance, while reducing the machining vibration in milling. Laser cladding layer was prepared by FeCr alloy and La 2 O 3 mixed powder. The effect of La 2 O 3 on the coating properties was investigated. Signal analysis methods of the time and frequency domain were used to evaluate the effect of the La 2 O 3 on machining vibration in the side milling laser cladding layer. The key findings of this study are: (a) with the La 2 O 3 content increasing, the grain size decreases dramatically and the microstructure of laser cladding layer are refine; (b) the hardness and wear resistance of the coatings with La 2 O 3 are improved significantly; and (c) the machining vibrations of laser cladding layer with La 2 O 3 are obviously reduced and the chatter is effectively avoided occurring

Submillimeter vibrationally excited water emission from the peculiar red supergiant VY Canis Majoris

Science.gov (United States)

Menten, K. M.; Philipp, S. D.; Güsten, R.; Alcolea, J.; Polehampton, E. T.; Brünken, S.

2006-08-01

Context: .Vibrationally excited emission from the SiO and H2O molecules probes the innermost circumstellar envelopes of oxygen-rich red giant and supergiant stars. VY CMa is the most prolific known emission source in these molecules. Aims: .Observations were made to search for rotational lines in the lowest vibrationally excited state of H2O. Methods: .The APEX telescope was used for observations of H2O lines at frequencies around 300 GHz. Results: .Two vibrationally excited H2O lines were detected, a third one could not be found. In one of the lines we find evidence for weak maser action, similar to known (sub)millimeter ν2 = 1 lines. We find that the other line's intensity is consistent with thermal excitation by the circumstellar infrared radiation field. Several SiO lines were detected together with the H2O lines.

First principles study of vibrational dynamics of ceria-titania hybrid clusters

Energy Technology Data Exchange (ETDEWEB)

Majid, Abdul, E-mail: abdulmajid40@yahoo.com; Bibi, Maryam [University of Gujrat, Department of Physics (Pakistan)

2017-04-15

Density functional theory based calculations were performed to study vibrational properties of ceria, titania, and ceria-titania hybrid clusters. The findings revealed the dominance of vibrations related to oxygen when compared to those of metallic atoms in the clusters. In case of hybrid cluster, the softening of normal modes related to exterior oxygen atoms in ceria and softening/hardening of high/low frequency modes related to titania dimmers are observed. The results calculated for monomers conform to symmetry predictions according to which three IR and three Raman active modes were detected for TiO{sub 2}, whereas two IR active and one Raman active modes were observed for CeO{sub 2}. The comparative analysis indicates that the hybrid cluster CeTiO{sub 4} contains simultaneous vibrational fingerprints of the component dimmers. The symmetry, nature of vibrations, IR and Raman activity, intensities, and atomic involvement in different modes of the clusters are described in detail. The study points to engineering of CeTiO{sub 4} to tailor its properties for technological visible region applications in photocatalytic and electrochemical devices.

Molecular structures and vibrational frequencies of xanthine and its methyl derivatives (caffeine and theobromine) by ab initio Hartree-Fock and density functional theory calculations

Science.gov (United States)

Ucun, Fatih; Sağlam, Adnan; Güçlü, Vesile

2007-06-01

The molecular structures, vibrational frequencies and corresponding vibrational assignments of xanthine and its methyl derivatives (caffeine and theobromine) have been calculated using ab initio Hartree-Fock (HF) and density functional theory (B3LYP) methods with 6-31G(d, p) basis set level. The calculations were utilized to the CS symmetries of the molecules. The obtained vibrational frequencies and optimised geometric parameters (bond lengths and bond angles) were seen to be well agreement with the experimental data. The used scale factors which have been obtained the ratio of the frequency values of the strongest peaks in the calculated and experimental spectra seem to cause the gained vibrations well corresponding to the experimental ones. Theoretical infrared intensities and Raman activities are also reported.

Exposição ocupacional do cirurgião-dentista à vibração mecânica transmitida através das mãos: um estudo de caso Occupational exposure of dental surgeons to mechanical vibration: a case report

Directory of Open Access Journals (Sweden)

Gilsée Ivan Regis Filho

2010-09-01

Full Text Available O objetivo do presente trabalho foi estimar a exposição a vibrações induzidas pelo uso de instrumentos rotatórios por cirurgiões-dentistas. Os instrumentos rotatórios analisados foram de alta e de baixa rotação. Os efeitos deletérios das vibrações no conjunto mão/braço são uma função da frequência e da amplitude do sinal. Observou-se que os efeitos dependem, ainda, da excitação ser constituída por uma única frequência ou apresentar um espectro complexo. Foram testadas três amostras de cada instrumento rotatório (canetas, a saber: caneta de alta rotação, contra-ângulo de baixa rotação e peça de mão, também de baixa rotação. A utilização por cirurgiões-dentistas dos instrumentos rotatórios avaliados aqui não representa risco ocupacional em termos das vibrações transmitidas às mãos, mesmo que operados continuamente ao longo de seis horas de trabalho; entretanto pode ser importante fator coadjuvante no desenvolvimento de LERs/DORTs. Por outro lado, o conjunto de efeitos fisiológicos das vibrações leva a crer que fortes oscilações mecânicas diminuem a capacidade de desempenho e em muitas situações aumentam o risco de falhas e acidentes.The objective of this study was to estimate exposure to vibration caused by the use of rotary instruments by dentists. The rotary instruments were analyzed at high- and low-speed rotation. The deleterious effects of vibration on the hand-arm assembly are a function of frequency and amplitude of the signal. It was observed that the effects depend on whether the excitement consists of a single frequency or presents a complex spectrum. We tested three samples of each rotating device (pen, namely: high-speed pen, counter-angle and low-speed hand piece, also low-spin. The use of rotary instruments by dentists was evaluated; there is an some occupational risk in terms of vibration to the hands, especially when operated continuously for six hours, which may be an important

Maximally resolved anharmonic OH vibrational spectrum of the water/ZnO(101 \\xAF 0) interface from a high-dimensional neural network potential

Science.gov (United States)

Quaranta, Vanessa; Hellström, Matti; Behler, Jörg; Kullgren, Jolla; Mitev, Pavlin D.; Hermansson, Kersti

2018-06-01

Unraveling the atomistic details of solid/liquid interfaces, e.g., by means of vibrational spectroscopy, is of vital importance in numerous applications, from electrochemistry to heterogeneous catalysis. Water-oxide interfaces represent a formidable challenge because a large variety of molecular and dissociated water species are present at the surface. Here, we present a comprehensive theoretical analysis of the anharmonic OH stretching vibrations at the water/ZnO(101 ¯ 0) interface as a prototypical case. Molecular dynamics simulations employing a reactive high-dimensional neural network potential based on density functional theory calculations have been used to sample the interfacial structures. In the second step, one-dimensional potential energy curves have been generated for a large number of configurations to solve the nuclear Schrödinger equation. We find that (i) the ZnO surface gives rise to OH frequency shifts up to a distance of about 4 Å from the surface; (ii) the spectrum contains a number of overlapping signals arising from different chemical species, with the frequencies decreasing in the order ν(adsorbed hydroxide) > ν(non-adsorbed water) > ν(surface hydroxide) > ν(adsorbed water); (iii) stretching frequencies are strongly influenced by the hydrogen bond pattern of these interfacial species. Finally, we have been able to identify substantial correlations between the stretching frequencies and hydrogen bond lengths for all species.

Hexagonal perovskites with cationic vacancies. 8. Vibrational spectroscopic investigations on rhombohedral 18 L-stacking polytypes Ba/sub 6/B/sub 2/sup(III)vacantW/sub 3/sup(VI)O/sub 18/

Energy Technology Data Exchange (ETDEWEB)

Schittenhelm, H J; Fadini, A; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.)

1979-10-01

The vibrational spectra of the 18 L stacking polytypes Ba/sub 6/B/sub 2/sup(III)vacant W/sub 3/O/sub 18/ (space group R3m; sequence (hhcccc)/sub 3/) with Bsup(III) = Lu, Y are reported. The octahedral net consists of W/sub 2/vacantO/sub 12/ and WO/sub 6/ groups, which are isolated from each other by the Ba and B ions. An assignment of the vibrational frequencies has been made with the aid of factor group analysis. For the W/sub 2/vacantO/sub 12/ block a complete force constant calculation is reported.

Theoretical Investigation of Vibrational Frequencies for Tetrabromopalladate (II Ion

Directory of Open Access Journals (Sweden)

Metin Bilge

2010-11-01

Full Text Available The normal mode frequencies and corresponding vibrational assignments of tetrabromopalladate (II ion ([Pd(Br4]2- have been theoretically examined by means of standard quantum chemical technique. All normal modes have been successfully assigned utilizing the D4h symmetry of [Pd(Br4]2-. Calculation has been performed at the Becke-3-Lee-Yang-Parr (B3LYP density functional method using the Lanl2dz basis set. Infrared intensities and Raman activities have also been calculated and reported. Theoretical results have been successfully compared against available experimental data. Key words: [Pd(Br4]2-, DFT, vibrational assignment, normal mode frequency, Lanl2dz Tetrabromopaladyum (II İyonunun Titreşim Frekanslarının Teorik Olarak İncelenmesi Tetrabromopaladyum (II iyonunun ([Pd(Br4]2- normal mod frekansları ve bunlara karşılık gelen titreşim işaretlemeleri standart kuantum kimyasal teknik yardımıyla teorik olarak incelenmektedir. Tüm normal modlar [Pd(Br4]2- iyonunun D4h nokta grubu kullanılarak başarılı bir şekilde işaretlenmiştir. Hesaplama Lanl2dz baz seti kullanılarak B3LYP (Becke-3-Lee-Yang-Parr yoğunluk fonksiyonel metoduyla gerçekleştirilmiş ve infrared intensiteleri ile Raman aktiviteleri de hesaplanmıştır. Teorik sonuçlar mevcut deneysel değerler ile başarılı bir şekilde karşılaştırılmaktadır. Anahtar kelimeler: [Pd(Br4]2-, DFT, titreşim işaretlemesi, normal mod frekansı, Lanl2dz

Structural determination of some uranyl compounds by vibrational spectroscopy

International Nuclear Information System (INIS)

Rodriguez S, A.; Martinez Q, E.

1990-07-01

The vibrational spectra of different uranyl compounds has been studied and of it spectral information has been used the fundamental asymmetric vibrational frequency, to determine the length and constant bond force U=O by means of the combination of the concept of absorbed energy and the mathematical expression of Badger modified by Jones. It is intended a factor that simplifies the mathematical treatment and the results are compared with the values obtained for other methods. (Author)

Sum Frequency Generation Vibrational Spectroscopy of Colloidal Platinum Nanoparticle Catalysts: Disordering versus Removal of Organic Capping

KAUST Repository

Krier, James M.; Michalak, William D.; Baker, L. Robert; An, Kwangjin; Komvopoulos, Kyriakos; Somorjai, Gabor A.

2012-01-01

Recent work with nanoparticle catalysts shows that size and shape control on the nanometer scale influences reaction rate and selectivity. Sum frequency generation (SFG) vibrational spectroscopy is a powerful tool for studying heterogeneous

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

Science.gov (United States)

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

2011-09-02

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

Diagnosis of industrial gearboxes condition by vibration and time-frequency, scale-frequency, frequency-frequency analysis

Directory of Open Access Journals (Sweden)

P. Czech

2012-10-01

Full Text Available In the article methods of vibroacoustic diagnostics of high-power toothed gears are described. It is shown below, that properly registered and processed acoustic signal or vibration signal may serve as an explicitly interpreted source of diagnostic symptoms. The presented analysis were based on vibration signals registered during the work of the gear of a rolling stand working in Katowice Steel Plant (presently one of the branches of Mittal Steel Poland JSC.

THE POSSIBLE INTERSTELLAR ANION CH2CN–: SPECTROSCOPIC CONSTANTS, VIBRATIONAL FREQUENCIES, AND OTHER CONSIDERATIONS

International Nuclear Information System (INIS)

Fortenberry, Ryan C.; Lee, Timothy J.; Crawford, T. Daniel

2013-01-01

The A 1 B 1 ⇽ X-tilde 1 A' excitation into the dipole-bound state of the cyanomethyl anion (CH 2 CN – ) has been hypothesized as the carrier for one diffuse interstellar band. However, this particular molecular system has not been detected in the interstellar medium even though the related cyanomethyl radical and the isoelectronic ketenimine molecule have been found. In this study, we are employing the use of proven quartic force fields and second-order vibrational perturbation theory to compute accurate spectroscopic constants and fundamental vibrational frequencies for X-tilde 1 A' CH 2 CN – in order to assist in laboratory studies and astronomical observations.

The Possible Interstellar Anion CH2CN-: Spectroscopic Constants, Vibrational Frequencies, and Other Considerations

Science.gov (United States)

Fortenberry, Ryan C.; Crawford, T. Daniel; Lee, Timothy J.

2013-01-01

The A\\ ^1B_1 \\leftarrow \\tilde{X}\\ ^1A^{\\prime } excitation into the dipole-bound state of the cyanomethyl anion (CH2CN-) has been hypothesized as the carrier for one diffuse interstellar band. However, this particular molecular system has not been detected in the interstellar medium even though the related cyanomethyl radical and the isoelectronic ketenimine molecule have been found. In this study, we are employing the use of proven quartic force fields and second-order vibrational perturbation theory to compute accurate spectroscopic constants and fundamental vibrational frequencies for \\tilde{X}\\ ^1A^{\\prime } CH2CN- in order to assist in laboratory studies and astronomical observations.

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

Science.gov (United States)

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

2018-01-01

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

[Dynamics of vegetative indicators induced by low-frequency magnetotherapy and EHF-puncture in hypertensive workers exposed to vibration].

Science.gov (United States)

Drobyshev, V A; Efremov, A V; Loseva, M I; Sukharevskaia, T M; Michurin, A I

2002-01-01

Low-frequency magnetic fields and EHF-therapy have been used in correction of autonomic homeostasis in workers exposed to vibration for different periods of time. The workers suffered from early arterial hypertension. Vegetative status and central hemodynamics improved best in workers exposed to vibration for less than 5 years. If the exposure was 6-15 years, a positive trend occurred in the tension of regulatory mechanisms. Workers with long exposure to vibration suffering from vagotonia showed an inadequate response of the autonomic parameters to treatment. This necessitates enhancement of therapeutic measures with medicines.

Natural Frequencies and Vibrating Modes for a Magnetic Planetary Gear Drive

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Lizhong Xu

2012-01-01

Full Text Available In this paper, a dynamic model for a magnetic planetary gear drive is proposed. Based on the model, the dynamic equations for the magnetic planetary gear drive are given. From the magnetic meshing forces and torques between the elements for the drive system, the tangent and radial magnetic meshing stiffness is obtained. Using these equations, the natural frequencies and the modes of the magnetic planetary gear drive are investigated. The sensitivity of the natural frequencies to the system parameters is discussed. Results show that the pole pair number and the air gap have obvious effects on the natural frequencies. For the planetary gear number larger than two, the vibrations of the drive system include the torsion mode of the center elements, the translation mode of the center elements, and the planet modes. For the planetary gear number equal to two, the planet mode does not occur, the crown mode and the sun gear mode occur.

Attitudes Toward, and Use of, Vibrators in China.

Science.gov (United States)

Jing, Shen; Lay, Alixe; Weis, Laura; Furnham, Adrian

2018-01-02

The current study examined the relationship between traditional masculine traits and attitudes toward vibrator use, actual vibrator use, and frequency of vibrator use in China. In all, 235 Chinese females aged between 16 and 58 years completed a questionnaire regarding attitudes toward, and personal use of, vibrators. The results showed a positive association between masculine traits and attitudes toward women's vibrator use, attitudes toward vibrator use and actual vibrator use, as well as frequency of vibrator use. The findings revealed an indirect path in which masculinity influences actual and frequency of vibrator use through attitudes toward women's vibrator use. Limitations and implications of the study are discussed.

The impact of low-magnitude high-frequency vibration on fracture healing is profoundly influenced by the oestrogen status in mice.

Science.gov (United States)

Wehrle, Esther; Liedert, Astrid; Heilmann, Aline; Wehner, Tim; Bindl, Ronny; Fischer, Lena; Haffner-Luntzer, Melanie; Jakob, Franz; Schinke, Thorsten; Amling, Michael; Ignatius, Anita

2015-01-01

Fracture healing is impaired in aged and osteoporotic individuals. Because adequate mechanical stimuli are able to increase bone formation, one therapeutical approach to treat poorly healing fractures could be the application of whole-body vibration, including low-magnitude high-frequency vibration (LMHFV). We investigated the effects of LMHFV on fracture healing in aged osteoporotic mice. Female C57BL/6NCrl mice (n=96) were either ovariectomised (OVX) or sham operated (non-OVX) at age 41 weeks. When aged to 49 weeks, all mice received a femur osteotomy that was stabilised using an external fixator. The mice received whole-body vibrations (20 minutes/day) with 0.3 G: peak-to-peak acceleration and a frequency of 45 Hz. After 10 and 21 days, the osteotomised femurs and intact bones (contra-lateral femurs, lumbar spine) were evaluated using bending-testing, micro-computed tomography (μCT), histology and gene expression analyses. LMHFV disturbed fracture healing in aged non-OVX mice, with significantly reduced flexural rigidity (-81%) and bone formation (-80%) in the callus. Gene expression analyses demonstrated increased oestrogen receptor β (ERβ, encoded by Esr2) and Sost expression in the callus of the vibrated animals, but decreased β-catenin, suggesting that ERβ might mediate these negative effects through inhibition of osteoanabolic Wnt/β-catenin signalling. In contrast, in OVX mice, LMHFV significantly improved callus properties, with increased flexural rigidity (+1398%) and bone formation (+637%), which could be abolished by subcutaneous oestrogen application (0.025 mg oestrogen administered in a 90-day-release pellet). On a molecular level, we found an upregulation of ERα in the callus of the vibrated OVX mice, whereas ERβ was unaffected, indicating that ERα might mediate the osteoanabolic response. Our results indicate a major role for oestrogen in the mechanostimulation of fracture healing and imply that LMHFV might only be safe and effective in

The impact of low-magnitude high-frequency vibration on fracture healing is profoundly influenced by the oestrogen status in mice

Directory of Open Access Journals (Sweden)

Esther Wehrle

2015-01-01

Full Text Available Fracture healing is impaired in aged and osteoporotic individuals. Because adequate mechanical stimuli are able to increase bone formation, one therapeutical approach to treat poorly healing fractures could be the application of whole-body vibration, including low-magnitude high-frequency vibration (LMHFV. We investigated the effects of LMHFV on fracture healing in aged osteoporotic mice. Female C57BL/6NCrl mice (n=96 were either ovariectomised (OVX or sham operated (non-OVX at age 41 weeks. When aged to 49 weeks, all mice received a femur osteotomy that was stabilised using an external fixator. The mice received whole-body vibrations (20 minutes/day with 0.3 g peak-to-peak acceleration and a frequency of 45 Hz. After 10 and 21 days, the osteotomised femurs and intact bones (contra-lateral femurs, lumbar spine were evaluated using bending-testing, micro-computed tomography (μCT, histology and gene expression analyses. LMHFV disturbed fracture healing in aged non-OVX mice, with significantly reduced flexural rigidity (−81% and bone formation (−80% in the callus. Gene expression analyses demonstrated increased oestrogen receptor β (ERβ, encoded by Esr2 and Sost expression in the callus of the vibrated animals, but decreased β-catenin, suggesting that ERβ might mediate these negative effects through inhibition of osteoanabolic Wnt/β-catenin signalling. In contrast, in OVX mice, LMHFV significantly improved callus properties, with increased flexural rigidity (+1398% and bone formation (+637%, which could be abolished by subcutaneous oestrogen application (0.025 mg oestrogen administered in a 90-day-release pellet. On a molecular level, we found an upregulation of ERα in the callus of the vibrated OVX mice, whereas ERβ was unaffected, indicating that ERα might mediate the osteoanabolic response. Our results indicate a major role for oestrogen in the mechanostimulation of fracture healing and imply that LMHFV might only be safe and

Symmetry breaking and spectral considerations of the surprisingly floppy c-C3H radical and the related dipole-bound excited state of c-C3H-

Science.gov (United States)

Bassett, Matthew K.; Fortenberry, Ryan C.

2017-06-01

The C3H radical is believed to be prevalent throughout the interstellar medium and may be involved in the formation of polycyclic aromatic hydrocarbons. C3H exists as both a linear and a cyclic isomer. The C2 v cyclopropenylidenyl radical isomer was detected in the dark molecular cloud TMC-1, and the linear propenylidenyl radical isomer has been observed in various dark molecular clouds. Even though the c-C3H radical has been classified rotationally, the vibrational frequencies of this seemingly important interstellar molecule have never been directly observed. Established, highly accurate quartic force field methodologies are employed here to compute useful geometrical data, spectroscopic constants, and vibrational frequencies. The computed rotational constants are consistent with the experimental results. Consequently, the three a1 (ν1, ν2, and ν3) and one b1 (ν6) anharmonic vibrational frequencies at 3117.7 cm-1, 1564.3 cm-1, 1198.5 cm-1, and 826.7 cm-1, respectively, are reliable predictions for these, as of yet unseen, observables. Unfortunately, the two b2 fundamentals (ν4 and ν5) cannot be treated adequately in the current approach due to a flat and possible double-well potential described in detail herein. The dipole-bound excited state of the anion suffers from the same issues and may not even be bound. However, the trusted fundamental vibrational frequencies described for the neutral radical should not be affected by this deformity and are the first robustly produced for c-C3H. The insights gained here will also be applicable to other structures containing three-membered bare and exposed carbon rings that are surprisingly floppy in nature.

Effect of intermolecular hydrogen bonding, vibrational analysis and molecular structure of a biomolecule: 5-Hydroxymethyluracil

Science.gov (United States)

Çırak, Çağrı; Sert, Yusuf; Ucun, Fatih

2014-06-01

In the present work, the experimental and theoretical vibrational spectra of 5-hydroxymethyluracil were investigated. The FT-IR (4000-400 cm-1) spectrum of the molecule in the solid phase was recorded. The geometric parameters (bond lengths and bond angles), vibrational frequencies, Infrared intensities of the title molecule in the ground state were calculated using density functional B3LYP and M06-2X methods with the 6-311++G(d,p) basis set for the first time. The optimized geometric parameters and theoretical vibrational frequencies were found to be in good agreement with the corresponding experimental data, and with the results found in the literature. The vibrational frequencies were assigned based on the potential energy distribution using the VEDA 4 program. The dimeric form of 5-hydroxymethyluracil molecule was also simulated to evaluate the effect of intermolecular hydrogen bonding on its vibrational frequencies. It was observed that the Nsbnd H stretching modes shifted to lower frequencies, while its in-plane and out-of-plane bending modes shifted to higher frequencies due to the intermolecular Nsbnd H⋯O hydrogen bond. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies and diagrams were presented.

Algorithm for the calculation of vibration inherent frequencies bending from two-shafts transmission

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Grigore Jan-Cristian

2017-01-01

Full Text Available The operation of the speed shaft transmissions at or near the natural frequency of the pulses at the resonance phenomenon leads to bending, when the amplitude of the oscillations increases sharply, causing deterioration or complete destruction thereof. To avoid system resonance operation is necessary to know the most accurate values its pulsations and taking appropriate constructive measures to avoid overlapping with disturbing frequency harmonics (operating speeds.This paper presents an algorithm for calculating the pulsation and vibration modes in bending, and based on numerical simulations performed on a real two-shafts transmission and will draw conclusions drawn diagrams.

Vibrational spectra of monouranates and uranium hydroxides as reaction products of alkali with uranyl nitrate

International Nuclear Information System (INIS)

Komyak, A.I.; Umrejko, D.S.; Posledovich, M.R.

2013-01-01

Vibrational (IR absorption and Raman scattering) spectra for the reaction products of uranyl nitrate hexahydrate with NaOH and KOH have been studied. As a result of exchange reactions, the uranyl-ion coordinated nitrate groups are completely replaced by hydroxyl ions and various uranium and uranyl oxides or hydrates are formed. An analysis of the vibrations has been performed in terms of the frequencies of a free or coordinated nitrate group; comparison with the vibrations of the well-known uranium oxides and of the uranyl group UO 2 2+ has been carried out. Vibrational spectra of a free nitrate group are characterized by four vibrational frequencies 1050, 724, 850, and 1380 cm -1 , among which the frequencies at 724 and 1380 cm -1 are doubly degenerate and attributed to E’ symmetry of the point group D 3h . When this group is uranium coordinated, its symmetry level is lowered to C 2v , all vibrations of this group being active both in Raman and IR spectra. The doubly degenerate vibrations are exhibited as two bands and a frequency of the out-of-plane vibration is lowered to 815 cm -1 . (authors)

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

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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

Thermochemistry and kinetics for 2-butanone-1-yl radical (CH2·C(═O)CH2CH3) reactions with O2.

Science.gov (United States)

Sebbar, N; Bozzelli, J W; Bockhorn, H

2014-01-09

Thermochemistry of reactants, intermediates, transition state structures, and products along with kinetics on the association of CH2·C(═O)CH2CH3 (2-butanone-1-yl) with O2 and dissociation of the peroxy adduct isomers are studied. Thermochemical properties are determined using ab initio (G3MP2B3 and G3) composite methods along with density functional theory (B3LYP/6-311g(d,p)). Entropy and heat capacity contributions versus temperature are determined from structures, vibration frequencies, and internal rotor potentials. The CH2·C(═O)CH2CH3 radical + O2 association results in a chemically activated peroxy radical with 27 kcal mol(-1) excess of energy. The chemically activated adduct can react to stabilized peroxy or hydroperoxide alkyl radical adducts, further react to lactones plus hydroxyl radical, or form olefinic ketones and a hydroperoxy radical. Kinetic parameters are determined from the G3 composite methods derived thermochemical parameters, and quantum Rice-Ramsperger-Kassel (QRRK) analysis to calculate k(E) with master equation analysis to evaluate falloff in the chemically activated and dissociation reactions. One new, not previously reported, peroxy chemistry reaction is presented. It has a low barrier path and involves a concerted reaction resulting in olefin formation, H2O elimination, and an alkoxy radical.

The vibrational spectrum of FeO{sub 2}{sup +} isomers—Theoretical benchmark and experiment

Energy Technology Data Exchange (ETDEWEB)

Maier, Toni M.; Boese, A. Daniel; Sauer, Joachim, E-mail: js@chemie.hu-berlin.de [Institut für Chemie, Humboldt-Universität zu Berlin, Unter den Linden 6, D 10099 Berlin (Germany); Wende, Torsten; Fagiani, Matias [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D 14195 Berlin (Germany); Asmis, Knut R., E-mail: asmis@fhi-berlin.mpg.de [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D 14195 Berlin (Germany); Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig, Linnéstrasse 2, D-04103 Leipzig (Germany)

2014-05-28

Infrared photodissociation is used to record the vibrational spectrum of FeO{sub 2}{sup +}(He){sub 2–4} which shows three bands at 1035, 980, and 506 cm{sup −1}. Quantum chemical multi-reference configuration interaction calculations (MRCISD) of structures and harmonic frequencies show that these bands are due to two different isomers, an inserted dioxo complex with Fe in the +V oxidation state and a side-on superoxo complex with Fe in the +II oxidation state. These two are separated by a substantial barrier, 53 kJ/mol, whereas the third isomer, an end-on complex between Fe{sup +} and an O{sub 2} molecule, is easily converted into the side-on complex. For all three isomers, states of different spin multiplicity have been considered. Our best energies are computed at the MRCISD+Q level, including corrections for complete active space and basis set extension, core-valence correlation, relativistic effects, and zero-point vibrational energy. The average coupled pair functional (ACPF) yields very similar energies. Density functional theory (DFT) differs significantly from our best estimates for this system, with the TPSS functional yielding the best results. The other functionals tested are BP86, PBE, B3LYP, TPSSh, and B2PLYP. Complete active space second order perturbation theory (CASPT2) performs better than DFT, but less good than ACPF.

Molecular quantum mechanical gradients within the polarizable embedding approach—Application to the internal vibrational Stark shift of acetophenone

International Nuclear Information System (INIS)

List, Nanna Holmgaard; Jensen, Hans Jørgen Aagaard; Kongsted, Jacob; Beerepoot, Maarten T. P.; Gao, Bin; Ruud, Kenneth; Olsen, Jógvan Magnus Haugaard

2015-01-01

We present an implementation of analytical quantum mechanical molecular gradients within the polarizable embedding (PE) model to allow for efficient geometry optimizations and vibrational analysis of molecules embedded in large, geometrically frozen environments. We consider a variational ansatz for the quantum region, covering (multiconfigurational) self-consistent-field and Kohn–Sham density functional theory. As the first application of the implementation, we consider the internal vibrational Stark effect of the C=O group of acetophenone in different solvents and derive its vibrational linear Stark tuning rate using harmonic frequencies calculated from analytical gradients and computed local electric fields. Comparisons to PE calculations employing an enlarged quantum region as well as to a non-polarizable embedding scheme show that the inclusion of mutual polarization between acetophenone and water is essential in order to capture the structural modifications and the associated frequency shifts observed in water. For more apolar solvents, a proper description of dispersion and exchange–repulsion becomes increasingly important, and the quality of the optimized structures relies to a larger extent on the quality of the Lennard-Jones parameters

Molecular quantum mechanical gradients within the polarizable embedding approach—Application to the internal vibrational Stark shift of acetophenone

Energy Technology Data Exchange (ETDEWEB)

List, Nanna Holmgaard, E-mail: nhl@sdu.dk; Jensen, Hans Jørgen Aagaard; Kongsted, Jacob [Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, Odense M, Odense DK-5230 Denmark (Denmark); Beerepoot, Maarten T. P.; Gao, Bin; Ruud, Kenneth [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø–The Arctic University of Norway, N-9037 Tromsø (Norway); Olsen, Jógvan Magnus Haugaard [Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, Odense M, Odense DK-5230 Denmark (Denmark); Laboratory of Computational Chemistry and Biochemistry, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne (Switzerland)

2015-01-21

We present an implementation of analytical quantum mechanical molecular gradients within the polarizable embedding (PE) model to allow for efficient geometry optimizations and vibrational analysis of molecules embedded in large, geometrically frozen environments. We consider a variational ansatz for the quantum region, covering (multiconfigurational) self-consistent-field and Kohn–Sham density functional theory. As the first application of the implementation, we consider the internal vibrational Stark effect of the C=O group of acetophenone in different solvents and derive its vibrational linear Stark tuning rate using harmonic frequencies calculated from analytical gradients and computed local electric fields. Comparisons to PE calculations employing an enlarged quantum region as well as to a non-polarizable embedding scheme show that the inclusion of mutual polarization between acetophenone and water is essential in order to capture the structural modifications and the associated frequency shifts observed in water. For more apolar solvents, a proper description of dispersion and exchange–repulsion becomes increasingly important, and the quality of the optimized structures relies to a larger extent on the quality of the Lennard-Jones parameters.

SAW propagation characteristics of TeO3/3C-SiC/LiNbO3 layered structure

Science.gov (United States)

Soni, Namrata D.

2018-04-01

Surface acoustic wave (SAW) devices based on Lithium Niobate (LiNbO3) single crystal are advantageous because of its high SAW phase velocity, electromechanical coupling coefficient and cost effectiveness. In the present work a new multi-layered TeO3/3C-SiC/128° Y-X LiNbO3 SAW device has been proposed. SAW propagation properties such as phase velocity, coupling coefficient and temperature coefficient of delay (TCD) of the TeO3/SiC/128° Y-X LiNbO3 multi layered structure is examined using theoretical calculations. It is found that the integration of 0.09λ thick 3C-SiC over layer on 128° Y-X LiNbO3 increases its electromechanical coupling coefficient from 5.3% to 9.77% and SAW velocity from 3800 ms‑1 to 4394 ms‑1. The SiC/128° Y-X LiNbO3 bilayer SAW structure exhibits a high positive TCD value. A temperature stable layered SAW device could be obtained with introduction of 0.007λ TeO3 over layer on SiC/128° Y-X LiNbO3 bilayer structure without sacrificing the efficiency of the device. The proposed TeO3/3C-SiC/128° Y-X LiNbO3 multi-layered SAW structure is found to be cost effective, efficient, temperature stable and suitable for high frequency application in harsh environment.

Frontside-micromachined planar piezoresistive vibration sensor: Evaluating performance in the low frequency test range

Directory of Open Access Journals (Sweden)

Lan Zhang

2014-01-01

Full Text Available Using a surface piezoresistor diffusion method and front-side only micromachining process, a planar piezoresistive vibration sensor was successfully developed with a simple structure, lower processing cost and fewer packaging difficulties. The vibration sensor had a large sector proof mass attached to a narrow flexure. Optimization of the boron diffusion piezoresistor placed on the edge of the narrow flexure greatly improved the sensitivity. Planar vibration sensors were fabricated and measured in order to analyze the effects of the sensor dimensions on performance, including the values of flexure width and the included angle of the sector. Sensitivities of fabricated planar sensors of 0.09–0.46 mV/V/g were measured up to a test frequency of 60 Hz. The sensor functioned at low voltages (<3 V and currents (<1 mA with a high sensitivity and low drift. At low background noise levels, the sensor had performance comparable to a commercial device.

Frontside-micromachined planar piezoresistive vibration sensor: Evaluating performance in the low frequency test range

Energy Technology Data Exchange (ETDEWEB)

Zhang, Lan; Lu, Jian, E-mail: jian-lu@aist.go.jp; Takagi, Hideki; Maeda, Ryutaro [Research Center for Ubiquitous MEMS and Micro Engineering (UMEMSME), National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki, 305-8564 (Japan)

2014-01-15

Using a surface piezoresistor diffusion method and front-side only micromachining process, a planar piezoresistive vibration sensor was successfully developed with a simple structure, lower processing cost and fewer packaging difficulties. The vibration sensor had a large sector proof mass attached to a narrow flexure. Optimization of the boron diffusion piezoresistor placed on the edge of the narrow flexure greatly improved the sensitivity. Planar vibration sensors were fabricated and measured in order to analyze the effects of the sensor dimensions on performance, including the values of flexure width and the included angle of the sector. Sensitivities of fabricated planar sensors of 0.09–0.46 mV/V/g were measured up to a test frequency of 60 Hz. The sensor functioned at low voltages (<3 V) and currents (<1 mA) with a high sensitivity and low drift. At low background noise levels, the sensor had performance comparable to a commercial device.

Normal modes of vibration in nickel

Energy Technology Data Exchange (ETDEWEB)

Birgeneau, R J [Yale Univ., New Haven, Connecticut (United States); Cordes, J [Cambridge Univ., Cambridge (United Kingdom); Dolling, G; Woods, A D B

1964-07-01

The frequency-wave-vector dispersion relation, {nu}(q), for the normal vibrations of a nickel single crystal at 296{sup o}K has been measured for the [{zeta}00], [{zeta}00], [{zeta}{zeta}{zeta}], and [0{zeta}1] symmetric directions using inelastic neutron scattering. The results can be described in terms of the Born-von Karman theory of lattice dynamics with interactions out to fourth-nearest neighbors. The shapes of the dispersion curves are very similar to those of copper, the normal mode frequencies in nickel being about 1.24 times the corresponding frequencies in copper. The fourth-neighbor model was used to calculate the frequency distribution function g({nu}) and related thermodynamic properties. (author)

Relationship Between Psychomotor Efficiency and Sensation Seeking of People Exposed to Noise and Low Frequency Vibration Stimuli

Science.gov (United States)

Korchut, Aleksander; Kowalska-Koczwara, Alicja; Romanska – Zapała, Anna; Stypula, Krzysztof

2017-10-01

At the workplace of the machine operator, low frequency whole body and hand- arm vibrations are observed. They occur together with noise. Whole body vibration in the range of 3-25 Hz are detrimental to the human body due to the location of the resonant frequency of large organs of the human body in this range. It can be assumed that for this reason people working every day in such conditions can have reduced working efficiency. The influence of low frequency vibration and noise on the human body leads to both physiological and functional changes. The result of the impact of noise and vibration stimuli depends largely on the specific characteristics of the objects, which include among other personality traits, temperament and emotional factor. The pilot study conducted in the laboratory was attended by 30 young men. The aim of the study was to look for correlations between the need for stimulation of the objects and their psychomotor efficiency in case of vibration exposure and vibration together with noise exposure in variable conditions task. The need for stimulation of the objects as defined in the study is based on theoretical assumptions of one dimensional model of temperament developed by Marvin Zuckerman. This theory defines the need for stimulation as the search for different, new, complex and intense sensations, as well as the willingness to take risks. The aim of research was to verify if from four factors such as: the search for adventure and horror, sensation seeking, disinhibition and susceptibility to boredom, we can choose the ones that in conjunction with varying operating conditions, may significantly determine the efficiency of the task situation. The objects performed the test evaluation of their motor skills which consisted in keeping the cursor controlled by a joystick through the path. The number of exceeds of the cursor beyond the path and its maximum deviation was recorded. The collected data were used to determine the correlation between the

Grid Cell Relaxation Effects on the High Frequency Vibration Characteristics

International Nuclear Information System (INIS)

Ryu, Joo-Young; Eom, Kyong-Bo; Jeon, Sang-Youn; Kim, Jae-Ik

2015-01-01

The plate structure of the grid of fuel assembly is always exposed to serious vortex induced vibration. Also, High Frequency flow induced Vibration (HFV) is primarily generated by vortex-shedding effect. When it comes to grid design as a fuel assembly component, HFV should be considered in advance since it is one of the critical factors. Excessive HFV has a possibility of making degradation of the fuel reliability that is directly related to the fuel robustness and operating performance. KEPCO NF (KNF) has performed HFV tests with various grid designs. While studying the HFV characteristics through the HFV tests, it has been observed that HFV amplitudes show different levels according to grid cell relaxation. It means that the testing could give different interpretations due to the condition of grid cell. Since the amount of relaxation is different under operating conditions and environments in a reactor, test specimens should be modified as much as possible to the real state of the fuel. Therefore, in order to consider the grid cell relaxation effects on the HFV tests, it is important to use cell sized or non-cell sized grids. The main focus of this study is to find out how the HFV characteristics such as amplitude and frequency are affected by grid cell relaxation. Three cases of the grid cell sized specimen which is nickel alloy were prepared and tested. Through the comparison of the test results, it could be concluded that HFV amplitudes show decreasing trend according to the grid cell relaxation in the case of nickel alloy grid. It is also possible to expect the tendency of grid cell relaxation of a zirconium alloy grid based on test results

Identification of Natural Frequency of Low Rise Building on Soft Ground Profile using Ambient Vibration Method

Science.gov (United States)

Kamarudin, A. F.; Zainal Abidin, M. H.; Mokhatar, S. N.; Daud, M. E.; Ibrahim, A.; Ibrahim, Z.; Noh, M. S. Md

2018-04-01

Natural frequency is the rate at which a body to vibrate or oscillate. Application of ambient vibration (AV) excitation is widely used nowadays as the input motion for building predominant frequency, fo, and ground fundamental frequency, Fo, prediction due to simple, fast, non-destructive, simple handling operation and reliable result. However, it must be emphasized and caution to isolate these frequencies (fo and Fo) from spurious frequencies of site-structure effects especially to low rise building on soft ground deposit. In this study, identification of fo and Fo by using AV measurements were performed on ground and 4-storey primary school reinforced concrete (RC) building at Sekolah Kebangsaan (SK) Sg. Tongkang, Rengit, Johor using 1 Hz of tri-axial seismometer sensor. Overlapping spectra between Fourier Amplitude Spectra (FAS) from and Horizontal to Vertical Spectra Ratio (HVSR) were used to distinguish respective frequencies of building and ground natural frequencies. Three dominant frequencies were identified from the FAS curves at 1.91 Hz, 1.98 Hz and 2.79 Hz in longitudinal (East West-EW), transverse (North South-NS) and vertical (UD) directions. It is expected the building has deformed in translational mode based on the first peak frequency by respective NS and EW components of FAS spectrum. Vertical frequency identified from the horizontal spectrums, might induces to the potential of rocking effect experienced by the school building. Meanwhile, single peak HVSR spectrum at low ground fundamental frequency concentrated at 0.93 Hz indicates to the existence deep contrast of soft deposit. Strong interaction between ground and building at similar frequency (0.93 Hz) observed from the FAS curves on the highest floor has shown the building to behave as a dependent unit against ground response as one rigid mass.

Normal vibrations in gallium arsenide

Energy Technology Data Exchange (ETDEWEB)

Dolling, G; Waugh, J L T

1964-07-01

The triple axis crystal spectrometer at Chalk River has been used to observe coherent slow neutron scattering from a single crystal of pure gallium arsenide at 296{sup o}K. The frequencies of normal modes of vibration propagating in the [{zeta}00], ({zeta}{zeta}{zeta}], and (0{zeta}{zeta}] crystal directions have been determined with a precision of between 1 and 2{center_dot}5 per cent. A limited number of normal modes have also been studied at 95 and 184{sup o}K. Considerable difficulty was experienced in obtaining welt resolved neutron peaks corresponding to the two non-degenerate optic modes for very small wave-vector, particularly at 296{sup o}K. However, from a comparison of results obtained under various experimental conditions at several different points in reciprocal space, frequencies (units 10{sup 12} c/s) for these modes (at 296{sup o}K) have been assigned: T 8{center_dot}02{+-}0{center_dot}08 and L 8{center_dot}55{+-}02. Other specific normal modes, with their measured frequencies are (a) (1,0,0): TO 7{center_dot}56 {+-} 008, TA 2{center_dot}36 {+-} 0{center_dot}015, LO 7{center_dot}22 {+-} 0{center_dot}15, LA 6{center_dot}80 {+-} 0{center_dot}06; (b) (0{center_dot}5, 0{center_dot}5, 0{center_dot}5): TO 7{center_dot}84 {+-} 0{center_dot}12, TA 1{center_dot}86 {+-} 0{center_dot}02, LO 7{center_dot}15 {+-} 0{center_dot}07, LA 6{center_dot}26 {+-} 0{center_dot}10; (c) (0, 0{center_dot}65, 0{center_dot}65): optic 8{center_dot}08 {+-}0{center_dot}13, 7{center_dot}54 {+-} 0{center_dot}12 and 6{center_dot}57 {+-} 0{center_dot}11, acoustic 5{center_dot}58 {+-} 0{center_dot}08, 3{center_dot}42 {center_dot} 0{center_dot}06 and 2{center_dot}36 {+-} 004. These results are generally slightly lower than the corresponding frequencies for germanium. An analysis in terms of various modifications of the dipole approximation model has been carried out. A feature of this analysis is that the charge on the gallium atom appears to be very small, about +0{center_dot}04 e. The

Communication: Quantitative multi-site frequency maps for amide I vibrational spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Reppert, Mike [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Department of Chemistry, University of Chicago, Chicago, Illinois 60637 (United States); Tokmakoff, Andrei, E-mail: tokmakoff@uchicago.edu [Department of Chemistry, University of Chicago, Chicago, Illinois 60637 (United States)

2015-08-14

An accurate method for predicting the amide I vibrational spectrum of a given protein structure has been sought for many years. Significant progress has been made recently by sampling structures from molecular dynamics simulations and mapping local electrostatic variables onto the frequencies of individual amide bonds. Agreement with experiment, however, has remained largely qualitative. Previously, we used dipeptide fragments and isotope-labeled constructs of the protein G mimic NuG2b as experimental standards for developing and testing amide I frequency maps. Here, we combine these datasets to test different frequency-map models and develop a novel method to produce an optimized four-site potential (4P) map based on the CHARMM27 force field. Together with a charge correction for glycine residues, the optimized map accurately describes both experimental datasets, with average frequency errors of 2–3 cm{sup −1}. This 4P map is shown to be convertible to a three-site field map which provides equivalent performance, highlighting the viability of both field- and potential-based maps for amide I spectral modeling. The use of multiple sampling points for local electrostatics is found to be essential for accurate map performance.

Análise da frequência anual das condições de céu em Botucatu, São Paulo Analysis of the annual frequency of the sky conditions in Botucatu, São Paulo

Directory of Open Access Journals (Sweden)

Érico T. Teramoto

2012-09-01

Full Text Available Este trabalho apresenta uma análise da frequência das condições de céu em Botucatu. A classificação das condições de céu foi feita com base no índice de claridade (K T, calculado a partir de uma base de dados de 10 anos de radiação global diária. Em Botucatu há, ao longo do ano, predominância de dias com condição de céu claro, em média 114 dias. Para a condição de céu nebuloso a frequência média é de 61 dias e, em referência às duas condições de céu intermediárias, a frequência de céu parcialmente nebuloso com dominância para o difuso, é de 94 dias e a com dominância para o claro é de 96 dias. Os principais fatores influentes sobre as condições de céu em Botucatu são as entradas de frentes frias e a formação da Zona de Convergência do Atlântico Sul, as quais respondem principalmente pela alteração da condição de céu claro para a de céu nebuloso ou para a de céu parcialmente nebuloso com dominância para o difuso. Os aerossóis resultantes das queimadas em lavouras de cana-de-açúcar respondem pela alteração da condição de céu claro para a de céu parcialmente nebuloso com dominância para o claro.This paper presents an analysis of the frequency of the sky conditions in Botucatu. The classification of sky conditions was made based on the clearness index (K T, calculated from a database with 10 years of measured daily global solar radiation. Throughout the year in Botucatu, there is a predominance of days with clear sky condition, on average 114 days. For cloudy sky condition, the average frequency is 61 days. About the two intermediate sky conditions, the frequency of the sky partially cloudy with dominance for the diffuse is 94 days and the one with dominance for the clear is 96 days. The main influential factors on the sky conditions in Botucatu are the inputs of cold fronts and the formation of the South Atlantic Convergence Zone. They respond primarily by altering the sky condition of

Vibration of machine

International Nuclear Information System (INIS)

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

2001-09-01

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

Asymmetric Vibration of Polar Orthotropic Annular Circular Plates of Quadratically Varying Thickness with Same Boundary Conditions

Directory of Open Access Journals (Sweden)

N. Bhardwaj

2008-01-01

Full Text Available In the present paper, asymmetric vibration of polar orthotropic annular circular plates of quadratically varying thickness resting on Winkler elastic foundation is studied by using boundary characteristic orthonormal polynomials in Rayleigh-Ritz method. Convergence of the results is tested and comparison is made with results already available in the existing literature. Numerical results for the first ten frequencies for various values of parameters describing width of annular plate, thickness profile, material orthotropy and foundation constant for all three possible combinations of clamped, simply supported and free edge conditions are shown and discussed. It is found that (a higher elastic property in circumferential direction leads to higher stiffness against lateral vibration; (b Lateral vibration characteristics of F-Fplates is more sensitive towards parametric changes in material orthotropy and foundation stiffness than C-C and S-Splates; (c Effect of quadratical thickness variation on fundamental frequency is more significant in cases of C-C and S-S plates than that of F-Fplates. Thickness profile which is convex relative to plate center-line tends to result in higher stiffness of annular plates against lateral vibration than the one which is concave and (d Fundamental mode of vibration of C-C and S-Splates is axisymmetrical while that of F-Fplates is asymmetrical.

Non-equilibrium vibrational and chemical kinetics in shock heated carbon dioxide

Science.gov (United States)

Kosareva, A. A.

2018-05-01

The flows of CO2/CO/O2/O/C and CO2/CO/O mixtures behind shock waves are studied in the three-temperature, two-temperature and one-temperature approximations. The influence of the vibrational relaxation and chemical reactions on the flow composition, temperature and velocity is investigated. It is shown that the vibrational non-equilibrium has a significant effect on the macroscopic parameters of the flow near the front of the shock wave. It was found that the composition of the mixture has the greatest effect on the numerical density of CO molecules and O atoms. Also, significant differences between the values of the vibrational temperature of the asymmetric regime have been revealed.

Linewidths in OCS: Isotope effects, vibrational effects, temperature dependence, and T1/T2

International Nuclear Information System (INIS)

Creswell, R.A.; Brown, S.R.; Schwendeman, R.H.

1976-01-01

A computer-controlled microwave spectrometer has been used to record the frequency dependence of the absorption of the J=2reverse arrow1 transition of OCS under varying conditions of pressure, temperature, and microwave power. From least-squares fits of the data to Lorentzian line shapes, a variety of linewidths and linewidth parameters have been deduced. The linewidth parameter for the J=2reverse arrow1 transition of 16 O 12 C 32 S in the ground vibrational state has been determined to be 6.03+-0.05 MHz/torr. The ratios of linewidth parameters for this transition for several other species to that for the ground state of 16 O 12 C 32 S are: 16 O 12 C 34 S, ground state, 0.987+-0.003; 16 O 13 C 32 S, ground state, 0.991+-0.005; 18 O 12 C 32 S, ground state, 0.966+-0.018; 16 O 12 C 32 S, v 3 =1, 1.024+-0.026; 16 O 12 C 32 S, v 2 /subl/=2degree, 0.978+-0.003. The linewidth parameter for the ground state of the parent species was determined to be inversely proportional to the absolute temperature in the range 297--346 K. From comparison of theoretical and experimental power-broadened lineshapes it is shown that T 1 /T 2 =1.04+-0.10 for the transition

The optical, vibrational, structural and elasto-optic properties of Zn_0_._2_5Cd_0_._7_5S_ySe_1_-_y quaternary alloys

International Nuclear Information System (INIS)

Paliwal, U.; Swarkar, C. B.; Sharma, M. D.; Joshi, K. B.

2016-01-01

The optical, vibrational, structural and elasto-optic properties of quaternary II-VI alloys Zn_0_._2_5Cd_0_._7_5S_0_._2_5Se_0_._7_5, Zn_0_._2_5Cd_0_._7_5S_0_._5_0Se_0_._5_0 and Zn_0_._2_5Cd_0_._7_5S_0_._7_5Se_0_._2_5 are presented. Within the empirical pseudopotential method (EPM) the disorder effects are modeled via modified virtual crystal approximation (MVCA). The computed bandgaps and the refined form factors are utilized to evaluate optical, vibrational, structural and elasto-optic properties. The refractive index (n), static (ε_0) and high frequency dielectric (ε_∞) constants are calculated to reveal optical behavior of alloys. The longitudinal ω_L_O(0) and transverse ω_T_O(0) optical frequencies are obtained to see vibrational characteristics. Moreover, the elastic constants (c_i_j) and bulk moduli (B) are computed by combining the EPM with Harrison bond orbital model. The elasto-optic nature of alloys is examined by computing the photo-elastic constants. These values are significant with regard to the opto-electronic applications especially when no experimental data are available on this system.

CONTRIBUTIONS TO THE STUDY OF THE VIBRATIONS FREQUENCY OF THE DRILL TOOL IN THE PROCESS OF MANUFACTURING THE BRONZE MATERIALS

Directory of Open Access Journals (Sweden)

Cosmin-Mihai MIRIŢOIU

2013-05-01

Full Text Available In this paper we present the experimental testings used to study the vibration of the drill tool, during the drilling of the bronze products. We have used the experimental setup presented in Miriţoiu (2013[1]. In this paper the vibrations are analyzed during the drilling on the universal lathe machines. The main purpose of to find a correlation between the cutting speed and the frequency of the vibration by using the experimental results and the regression analysis

Reduction of low frequency vibration of truck driver and seating system through system parameter identification, sensitivity analysis and active control

Science.gov (United States)

Wang, Xu; Bi, Fengrong; Du, Haiping

2018-05-01

This paper aims to develop an 5-degree-of-freedom driver and seating system model for optimal vibration control. A new method for identification of the driver seating system parameters from experimental vibration measurement has been developed. The parameter sensitivity analysis has been conducted considering the random excitation frequency and system parameter uncertainty. The most and least sensitive system parameters for the transmissibility ratio have been identified. The optimised PID controllers have been developed to reduce the driver's body vibration.

Atomic beams probe surface vibrations

International Nuclear Information System (INIS)

Robinson, A.L.

1982-01-01

In the last two years, surface scientist have begun trying to obtain the vibrational frequencies of surface atoms in both insulating and metallic crystals from beams of helium atoms. It is the inelastic scattering that researchers use to probe surface vibrations. Inelastic atomic beam scattering has only been used to obtain vibrational frequency spectra from clean surfaces. Several experiments using helium beams are cited. (SC)

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.

A synthesis, X-ray crystallographic and vibrational studies of guanidinium o-nitrobenzoate hydrate. New NLO crystal in guanidinium nitrobenzoate family

Science.gov (United States)

Drozd, Marek; Daszkiewicz, Marek

2018-06-01

According to literature data the two crystals are known: guanidinium m-nitrobenzoate and guanidinium p-nitrobenzoate. Both compounds belong to noncetrosymmetric crystallographic systems are consider as second order generators in nonlinear optic (NLO). For each of these crystals the detailed crystallographic, theoretical calculations and vibrational studies were performed. It is interesting that nitrobenzoic acid create tree variety of compounds ((2) ortho-, (3) meta- and (4) para-) what any data for third member of guanidinium nitrobenzoate crystal were not known. The guanidinium o-nitrobenzoate hydrate crystal was synthesized first time. The performed X-ray crystallographic study shown that crystal belongs to space group without macroscopic symmetry center. Additionally, the vibrational spectra (intensities, frequencies and PED analysis) of investigated compound are presented. These results are compared with theoretical calculations for equilibrium geometry and vibrational properties. Furthermore, the results of the theoretical approach include HOMO and LUMO energies and first order hyperpolarizability were obtained, also. On the basis of these data the crystal was classified as second order generator. All obtained results are compared with previous literature data of guanidinium m-nitrobenzoate and guanidinium p-nitrobenzoate compounds. Surprisingly, each of examined crystal belongs to different crystallographic system and shows different vibrational properties.

On the origin of red and blue shifts of X-H and C-H stretching vibrations in formic acid (formate ion) and proton donor complexes.

Science.gov (United States)

Tâme Parreira, Renato Luis; Galembeck, Sérgio Emanuel; Hobza, Pavel

2007-01-08

Complexes between formic acid or formate anion and various proton donors (HF, H(2)O, NH(3), and CH(4)) are studied by the MP2 and B3LYP methods with the 6-311++G(3df,3pd) basis set. Formation of a complex is characterized by electron-density transfer from electron donor to ligands. This transfer is much larger with the formate anion, for which it exceeds 0.1 e. Electron-density transfer from electron lone pairs of the electron donor is directed into sigma* antibonding orbitals of X--H bonds of the electron acceptor and leads to elongation of the bond and a red shift of the X--H stretching frequency (standard H-bonding). However, pronounced electron-density transfer from electron lone pairs of the electron donor also leads to reorganization of the electron density in the electron donor, which results in changes in geometry and vibrational frequency. These changes are largest for the C--H bonds of formic acid and formate anion, which do not participate in H-bonding. The resulting blue shift of this stretching frequency is substantial and amounts to almost 35 and 170 cm(-1), respectively.

Stabilised frequency of extreme positive Indian Ocean Dipole under 1.5 °C warming.

Science.gov (United States)

Cai, Wenju; Wang, Guojian; Gan, Bolan; Wu, Lixin; Santoso, Agus; Lin, Xiaopei; Chen, Zhaohui; Jia, Fan; Yamagata, Toshio

2018-04-12

Extreme positive Indian Ocean Dipole (pIOD) affects weather, agriculture, ecosystems, and public health worldwide, particularly when exacerbated by an extreme El Niño. The Paris Agreement aims to limit warming below 2 °C and ideally below 1.5 °C in global mean temperature (GMT), but how extreme pIOD will respond to this target is unclear. Here we show that the frequency increases linearly as the warming proceeds, and doubles at 1.5 °C warming from the pre-industrial level (statistically significant above the 90% confidence level), underscored by a strong intermodel agreement with 11 out of 13 models producing an increase. However, in sharp contrast to a continuous increase in extreme El Niño frequency long after GMT stabilisation, the extreme pIOD frequency peaks as the GMT stabilises. The contrasting response corresponds to a 50% reduction in frequency of an extreme El Niño preceded by an extreme pIOD from that projected under a business-as-usual scenario.

Vibration and acoustic frequency spectra for industrial process modeling using selective fusion multi-condition samples and multi-source features

Science.gov (United States)

Tang, Jian; Qiao, Junfei; Wu, ZhiWei; Chai, Tianyou; Zhang, Jian; Yu, Wen

2018-01-01

Frequency spectral data of mechanical vibration and acoustic signals relate to difficult-to-measure production quality and quantity parameters of complex industrial processes. A selective ensemble (SEN) algorithm can be used to build a soft sensor model of these process parameters by fusing valued information selectively from different perspectives. However, a combination of several optimized ensemble sub-models with SEN cannot guarantee the best prediction model. In this study, we use several techniques to construct mechanical vibration and acoustic frequency spectra of a data-driven industrial process parameter model based on selective fusion multi-condition samples and multi-source features. Multi-layer SEN (MLSEN) strategy is used to simulate the domain expert cognitive process. Genetic algorithm and kernel partial least squares are used to construct the inside-layer SEN sub-model based on each mechanical vibration and acoustic frequency spectral feature subset. Branch-and-bound and adaptive weighted fusion algorithms are integrated to select and combine outputs of the inside-layer SEN sub-models. Then, the outside-layer SEN is constructed. Thus, "sub-sampling training examples"-based and "manipulating input features"-based ensemble construction methods are integrated, thereby realizing the selective information fusion process based on multi-condition history samples and multi-source input features. This novel approach is applied to a laboratory-scale ball mill grinding process. A comparison with other methods indicates that the proposed MLSEN approach effectively models mechanical vibration and acoustic signals.

Effect of rare earth oxide on the properties of laser cladding layer and machining vibration suppressing in side milling

Energy Technology Data Exchange (ETDEWEB)

Zhao, Yanhua, E-mail: zhaoyanhua_007@163.com [School of Mechanical Engineering, Shandong University, Jinan 250061 (China); Key Laboratory of High Efficiency and Clean Mechanical Manufacture, Ministry of Education, Shandong University, Jinan 250061 (China); Sun, Jie, E-mail: sunjie@sdu.edu.cn [School of Mechanical Engineering, Shandong University, Jinan 250061 (China); Key Laboratory of High Efficiency and Clean Mechanical Manufacture, Ministry of Education, Shandong University, Jinan 250061 (China); Li, Jianfeng [School of Mechanical Engineering, Shandong University, Jinan 250061 (China); Key Laboratory of High Efficiency and Clean Mechanical Manufacture, Ministry of Education, Shandong University, Jinan 250061 (China)

2014-12-01

Highlights: • A novel laser cladding powder is developed which can reduce the machining vibration. • The machining vibrations of coating are reduced and the chatter is avoided occurring. • The vibration-suppressing mechanism is analyzed. • The hardness and wear resistance of coatings are improved significantly. - Abstract: Laser cladding, which can increase the hardness and wear resistance of the used components, is widely used in remanufacture and sustainable manufacturing field. Generally, laser cladding layer should to be machined to meet the function as well as the assembly requirements. Milling is an effective mean for precision machining. However, there exist great differences of physical and mechanical performances between laser cladding layer and substrate material, including microstructure, hardness, wear resistance, etc. This produces some new milling problems for laser cladding layer, such as machining vibration which may lead to low productivity and worse surface integrity. Thus, it is necessary to develop a novel laser cladding powder which can improve the surface hardness and wear resistance, while reducing the machining vibration in milling. Laser cladding layer was prepared by FeCr alloy and La{sub 2}O{sub 3} mixed powder. The effect of La{sub 2}O{sub 3} on the coating properties was investigated. Signal analysis methods of the time and frequency domain were used to evaluate the effect of the La{sub 2}O{sub 3} on machining vibration in the side milling laser cladding layer. The key findings of this study are: (a) with the La{sub 2}O{sub 3} content increasing, the grain size decreases dramatically and the microstructure of laser cladding layer are refine; (b) the hardness and wear resistance of the coatings with La{sub 2}O{sub 3} are improved significantly; and (c) the machining vibrations of laser cladding layer with La{sub 2}O{sub 3} are obviously reduced and the chatter is effectively avoided occurring.

Bandwidth Widening of Piezoelectric Cantilever Beam Arrays by Mass-Tip Tuning for Low-Frequency Vibration Energy Harvesting

Directory of Open Access Journals (Sweden)

Eduard Dechant

2017-12-01

Full Text Available Wireless sensor networks usually rely on internal permanent or rechargeable batteries as a power supply, causing high maintenance efforts. An alternative solution is to supply the entire system by harvesting the ambient energy, for example, by transducing ambient vibrations into electric energy by virtue of the piezoelectric effect. The purpose of this paper is to present a simple engineering approach for the bandwidth optimization of vibration energy harvesting systems comprising multiple piezoelectric cantilevers (PECs. The frequency tuning of a particular cantilever is achieved by changing the tip mass. It is shown that the bandwidth enhancement by mass tuning is limited and requires several PECs with close resonance frequencies. At a fixed frequency detuning between subsequent PECs, the achievable bandwidth shows a saturation behavior as a function of the number of cantilevers used. Since the resonance frequency of each PEC is different, the output voltages at a particular excitation frequency have different amplitudes and phases. A simple power-transfer circuit where several PECs with an individual full wave bridge rectifier are connected in parallel allows one to extract the electrical power close to the theoretical maximum excluding the diode losses. The experiments performed on two- and three-PEC arrays show reasonable agreement with simulations and demonstrate that this power-transfer circuit additionally influences the frequency dependence of the harvested electrical power.

MULTIMODE quantum calculations of vibrational energies and IR spectrum of the NO⁺(H₂O) cluster using accurate potential energy and dipole moment surfaces.

Science.gov (United States)

Homayoon, Zahra

2014-09-28

A new, full (nine)-dimensional potential energy surface and dipole moment surface to describe the NO(+)(H2O) cluster is reported. The PES is based on fitting of roughly 32,000 CCSD(T)-F12/aug-cc-pVTZ electronic energies. The surface is a linear least-squares fit using a permutationally invariant basis with Morse-type variables. The PES is used in a Diffusion Monte Carlo study of the zero-point energy and wavefunction of the NO(+)(H2O) and NO(+)(D2O) complexes. Using the calculated ZPE the dissociation energies of the clusters are reported. Vibrational configuration interaction calculations of NO(+)(H2O) and NO(+)(D2O) using the MULTIMODE program are performed. The fundamental, a number of overtone, and combination states of the clusters are reported. The IR spectrum of the NO(+)(H2O) cluster is calculated using 4, 5, 7, and 8 modes VSCF/CI calculations. The anharmonic, coupled vibrational calculations, and IR spectrum show very good agreement with experiment. Mode coupling of the water "antisymmetric" stretching mode with the low-frequency intermolecular modes results in intensity borrowing.

MULTIMODE quantum calculations of vibrational energies and IR spectrum of the NO+(H2O) cluster using accurate potential energy and dipole moment surfaces

Science.gov (United States)

Homayoon, Zahra

2014-09-01

A new, full (nine)-dimensional potential energy surface and dipole moment surface to describe the NO+(H2O) cluster is reported. The PES is based on fitting of roughly 32 000 CCSD(T)-F12/aug-cc-pVTZ electronic energies. The surface is a linear least-squares fit using a permutationally invariant basis with Morse-type variables. The PES is used in a Diffusion Monte Carlo study of the zero-point energy and wavefunction of the NO+(H2O) and NO+(D2O) complexes. Using the calculated ZPE the dissociation energies of the clusters are reported. Vibrational configuration interaction calculations of NO+(H2O) and NO+(D2O) using the MULTIMODE program are performed. The fundamental, a number of overtone, and combination states of the clusters are reported. The IR spectrum of the NO+(H2O) cluster is calculated using 4, 5, 7, and 8 modes VSCF/CI calculations. The anharmonic, coupled vibrational calculations, and IR spectrum show very good agreement with experiment. Mode coupling of the water "antisymmetric" stretching mode with the low-frequency intermolecular modes results in intensity borrowing.

MULTIMODE quantum calculations of vibrational energies and IR spectrum of the NO+(H2O) cluster using accurate potential energy and dipole moment surfaces

International Nuclear Information System (INIS)

Homayoon, Zahra

2014-01-01

A new, full (nine)-dimensional potential energy surface and dipole moment surface to describe the NO + (H 2 O) cluster is reported. The PES is based on fitting of roughly 32 000 CCSD(T)-F12/aug-cc-pVTZ electronic energies. The surface is a linear least-squares fit using a permutationally invariant basis with Morse-type variables. The PES is used in a Diffusion Monte Carlo study of the zero-point energy and wavefunction of the NO + (H 2 O) and NO + (D 2 O) complexes. Using the calculated ZPE the dissociation energies of the clusters are reported. Vibrational configuration interaction calculations of NO + (H 2 O) and NO + (D 2 O) using the MULTIMODE program are performed. The fundamental, a number of overtone, and combination states of the clusters are reported. The IR spectrum of the NO + (H 2 O) cluster is calculated using 4, 5, 7, and 8 modes VSCF/CI calculations. The anharmonic, coupled vibrational calculations, and IR spectrum show very good agreement with experiment. Mode coupling of the water “antisymmetric” stretching mode with the low-frequency intermolecular modes results in intensity borrowing

Apparent and standard molar volumes and heat capacities of aqueous Ni(ClO4)2 from 25 to 85oC

International Nuclear Information System (INIS)

Pan, P.; Campbell, A.B.

1997-01-01

Apparent molar heat capacities and volumes of aqueous Ni(ClO 4 ) 2 were measured from 25 to 85 o C over a concentration range of 0.02 to 0.8 mol-kg -1 using a Picker flow microcalorimeter and a Picker vibrating-tube densimeter. An extended Debye-Huckel equation was fitted to the experimental data to obtain expressions for the apparent molar properties as functions of ionic strength for Ni(ClO 4 ) 2 (aq). The standard-state partial molar properties for Ni(ClO 4 ) 2 (aq) in the temperature range 25 to 85 o C were obtained and can be expressed by empirical equations. The standard partial molar heat capacities and volumes for Ni 2+ (aq) from 25 to 86 o C were obtained by using the additivity rule and data for ClO - 4 (aq) in the literature. These values were extrapolated to 300 o C by employing the Helgeson-Kirkham-Flower (HKF) equations, amended to include a standard-state correction term. (author)

Vibrational frequency scaling factors for correlation consistent basis sets and the methods CC2 and MP2 and their spin-scaled SCS and SOS variants

Energy Technology Data Exchange (ETDEWEB)

Friese, Daniel H., E-mail: daniel.h.friese@uit.no [Centre for Theoretical and Computational Chemistry CTCC, Department of Chemistry, University of Tromsø, N-9037 Tromsø (Norway); Törk, Lisa; Hättig, Christof, E-mail: christof.haettig@rub.de [Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, D-44801 Bochum (Germany)

2014-11-21

We present scaling factors for vibrational frequencies calculated within the harmonic approximation and the correlated wave-function methods coupled cluster singles and doubles model (CC2) and Møller-Plesset perturbation theory (MP2) with and without a spin-component scaling (SCS or spin-opposite scaling (SOS)). Frequency scaling factors and the remaining deviations from the reference data are evaluated for several non-augmented basis sets of the cc-pVXZ family of generally contracted correlation-consistent basis sets as well as for the segmented contracted TZVPP basis. We find that the SCS and SOS variants of CC2 and MP2 lead to a slightly better accuracy for the scaled vibrational frequencies. The determined frequency scaling factors can also be used for vibrational frequencies calculated for excited states through response theory with CC2 and the algebraic diagrammatic construction through second order and their spin-component scaled variants.

High-Accuracy Quartic Force Field Calculations for the Spectroscopic Constants and Vibrational Frequencies of 1(exp 1)A' l-C3H(-): A Possible Link to Lines Observed in the Horsehead Nebula PDR

Science.gov (United States)

Fortenberry, Ryan C.; Huang, Xinchuan; Crawford, T. Daniel; Lee, Timothy J.

2013-01-01

It has been shown that rotational lines observed in the Horsehead nebula photon-dominated-region (PDR) are probably not caused by l-C3H+, as was originally suggested. In the search for viable alternative candidate carriers, quartic force fields are employed here to provide highly accurate rotational constants, as well as fundamental vibrational frequencies, for another candidate carrier: 1 (sup 1)A' C3H(-). The ab initio computed spectroscopic constants provided in this work are, compared to those necessary to define the observed lines, as accurate as the computed spectroscopic constants for many of the known interstellar anions. Additionally, the computed D-eff for C3H(-) is three times closer to the D deduced from the observed Horsehead nebula lines relative to l-C3H(+). As a result, 1 (sup 1)A' C3H(-). is a more viable candidate for these observed rotational transitions and would be the seventh confirmed interstellar anion detected within the past decade and the first C(sub n)H(-) molecular anion with an odd n.

Natural vibration experimental analysis of Novovoronezhskaya NPP main building

International Nuclear Information System (INIS)

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

2005-01-01

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

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

NARCIS (Netherlands)

Chen, K.; Manning, M.L.; Yunker, P.J.; Ellenbroek, W.G.; Zhang, Zexin; Liu, Andrea J.; Yodh, A.G.

2011-01-01

We investigate correlations between low-frequency vibrational modes and rearrangements in two-dimensional colloidal glasses composed of thermosensitive microgel particles, which readily permit variation of the sample packing fraction. At each packing fraction, the particle displacement covariance

Vibrational dynamics of amorphous metals by inelastic neutron and raman scattering

International Nuclear Information System (INIS)

Lustig, N.E.

1986-01-01

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

Surprising performance for vibrational frequencies of the distinguishable clusters with singles and doubles (DCSD) and MP2.5 approximations

Science.gov (United States)

Kesharwani, Manoj K.; Sylvetsky, Nitai; Martin, Jan M. L.

2017-11-01

We show that the DCSD (distinguishable clusters with all singles and doubles) correlation method permits the calculation of vibrational spectra at near-CCSD(T) quality but at no more than CCSD cost, and with comparatively inexpensive analytical gradients. For systems dominated by a single reference configuration, even MP2.5 is a viable alternative, at MP3 cost. MP2.5 performance for vibrational frequencies is comparable to double hybrids such as DSD-PBEP86-D3BJ, but without resorting to empirical parameters. DCSD is also quite suitable for computing zero-point vibrational energies in computational thermochemistry.

Laser Spectroscopy Monitoring of 13C18O16O and 12C17O16O of Atmospheric Carbon Dioxide

Science.gov (United States)

Shorter, J. H.; Nelson, D. D.; Ono, S.; McManus, J. B.; Zahniser, M. S.

2017-12-01

One of the main challenges to making accurate predictions of future changes in CO2 concentration is the capability to determine what fraction of human produced CO2 remains in the atmosphere. We present our progress in the application of Tunable Infrared Laser Direct Absorption Spectroscopy (TILDAS) to the measurement of the primary clumped (13C18O16O) as well as 17O (12C17O16O) isotopologues of atmospheric CO2, as a tracer of its sources and sinks. We expect unique isotopologue signals in CO2 from high-temperature combustion sources, plants, soils, and air-sea exchange processes. High sampling frequency (a few minutes for each sample vs. reference cycle) achieved by a TILDAS instrument is expected to enable us to document local heterogeneous sources and temporal variations. The TILDAS is equipped with a newly developed 400-meter absorption cell. We designed a dual pressure measurement technique in which the clumped isotopologue, 13C18O16O, and 13C16O16O are first measured at 30 torr cell pressure. This is followed by measurement of 12C17O16O, 12C18O16O and 12C16O16O at lower ( 5 torr) cell pressure. Isotopologue ratios are compared between reference and sample gases. Preliminary tests demonstrated a precision approaching 0.03 ‰ for the ratio 13C18O16O/13C16O16O and 0.08‰ for Δ13C18O16O value (1σ repeatability for 4 min sample vs. reference cycle). Sample size for a single analysis is approximately 100 mL of air (1.6μmol of CO2). Given the previously observed range of variations for Δ13C18O16O and Δ17O values as large as 0.6 to 0.3 ‰, respectively, TILDAS offers a novel approach for real time monitoring of atmospheric CO2 isotopologues. It was found that achieving better than 0.1‰ requires careful matching of CO2 mixing ratios between reference and sample air. A primary cause of pressure and mixing ratio dependence is inaccurate baseline fitting (analogous to abundance sensitivity or pressure baseline for IRMS). Given that mixing ratios of atmospheric

Fatigue of 1 {mu}m-scale gold by vibration with reduced resonant frequency

Energy Technology Data Exchange (ETDEWEB)

Sumigawa, Takashi, E-mail: sumigawa@cyber.kues.kyoto-u.ac.jp [Department of Mechanical Engineering and Science, Kyoto University, Yoshidahommachi, Sakyo-ku, Kyoto 606-8501 (Japan); Matsumoto, Kenta [Department of Mechanical Engineering and Science, Kyoto University, Yoshidahommachi, Sakyo-ku, Kyoto 606-8501 (Japan); Tsuchiya, Toshiyuki [Department of Micro Engineering, Kyoto University, Yoshidahommachi, Sakyo-ku, Kyoto 606-8501 (Japan); Kitamura, Takayuki [Department of Mechanical Engineering and Science, Kyoto University, Yoshidahommachi, Sakyo-ku, Kyoto 606-8501 (Japan)

2012-10-30

In order to investigate the fatigue strength of micro-metal (1 {mu}m-scale), a testing method using resonant vibration is developed. Although the loading by vibration can solve the difficulties associated with the fatigue experiment of micro-specimen (e.g., specimen gripping and high-cycle loading under tension-compression), it inherently has an excessively high resonance frequency (more than several GHz at least) in a 1 {mu}m-scale metal specimen. For control of the fatigue cycle, the resonance frequency must be reduced to several hundreds of kHz by tuning the specimen shape. We design a cantilever specimen of 1 {mu}m scale gold with a weight at the tip, which reduces the resonant frequency to about 330 kHz. The unique specimen with the test section of 1.26 {mu}m Multiplication-Sign 0.94 {mu}m Multiplication-Sign 1.52 {mu}m is successfully fabricated by a novel technique using a focused ion beam and the tension-compression fatigue cycle is applied to it by means of a piezoelectric actuator. The test section breaks at about 1.6 Multiplication-Sign 10{sup 6} cycles under {Delta}{sigma}/2=230 MPa, which is within the targeted range of this project. It is easy to extend this method to high-cycle fatigue for actual use (including the failure cycles of over 10{sup 8} cycles). The slip bands observed on the surface, which have concavity and convexity similar to the intrusions/extrusions of PSBs, indicate that the failure is induced by the fatigue.

Portable vibration exciter

Science.gov (United States)

Beecher, L. C.; Williams, F. T.

1970-01-01

Gas-driven vibration exciter produces a sinusoidal excitation function controllable in frequency and in amplitude. It allows direct vibration testing of components under normal loads, removing the possibility of component damage due to high static pressure.

Conformational, vibrational, NMR and DFT studies of N-methylacetanilide.

Science.gov (United States)

Arjunan, V; Santhanam, R; Rani, T; Rosi, H; Mohan, S

2013-03-01

A detailed conformational, vibrational, NMR and DFT studies of N-methylacetanilide have been carried out. In DFT, B3LYP method have been used with 6-31G(**), 6-311++G(**) and cc-pVTZ basis sets. The vibrational frequencies were calculated resulting in IR and Raman frequencies together with intensities and Raman depolarisation ratios. The dipole moment derivatives were computed analytically. Owing to the complexity of the molecule, the potential energy distributions of the vibrational modes of the compound are also calculated. Isoelectronic molecular electrostatic potential surface (MEP) and electron density surface were examined. (1)H and (13)C NMR isotropic chemical shifts were calculated and the assignments made are compared with the experimental values. The energies of important MO's of the compound were also determined from TD-DFT method. Copyright © 2012 Elsevier B.V. All rights reserved.

VIBRATION ANALYSIS OF TURBINE BASED ON FLUID-STRUCTURE COUPLING

Institute of Scientific and Technical Information of China (English)

LIU Demin; LIU Xiaobing

2008-01-01

The vibration of a Francis turbine is analyzed with the additional quality matrix method based on fluid-structure coupling (FSC). Firstly, the vibration frequency and mode of blade and runner in air and water are calculated. Secondly, the influences to runner frequency domain by large flow, small flow and design flow working conditions are compared. Finally the influences to runner modes by centrifugal forces under three rotating speeds of 400 r/min, 500 r/min and 600 r/min are compared. The centrifugal force and small flow working condition have greatly influence on the vibration of small runner. With the increase of centrifugal force, the vibration frequency of the runner is sharply increased. Some order frequencies are even close to the runner natural frequency in the air. Because the low frequency vibration will severely damage the stability of the turbine, low frequency vibration of units should be avoided as soon as possible.

Femtosecond time-resolved vibrational SFG spectroscopy of CO/Ru( 0 0 1 )

Science.gov (United States)

Hess, Ch.; Wolf, M.; Roke, S.; Bonn, M.

2002-04-01

Vibrational sum-frequency generation (SFG) employing femtosecond infrared (IR) laser pulses is used to study the dynamics of the C-O stretch vibration on Ru(0 0 1). Time-resolved measurements of the free induction decay (FID) of the IR-polarization for 0.33 ML CO/Ru(0 0 1) exhibit single exponential decays over three decades corresponding to dephasing times of T2=1.94 ps at 95 K and T2=1.16 ps at 340 K. This is consistent with pure homogeneous broadening due to anharmonic coupling with the thermally activated low-frequency dephasing mode together with a contribution from saturation of the IR transition. In pump-probe SFG experiments using a strong visible (VIS) pump pulse the perturbation of the FID leads to transient line shifts even at negative delay times, i.e. when the IR-VIS SFG probe pair precedes the pump pulse. Based on an analysis of the time-dependent polarization we discuss the influence of the perturbed FID on time-resolved SFG spectra. We investigate how coherent effects affect the SFG spectra and we examine the time resolution in these experiments, in particular in dependence of the dephasing time.

Optimal geometries and harmonic vibrational frequencies of the global minima of water clusters (H2O)n, n = 2–6, and several hexamer local minima at the CCSD(T) level of theory

Energy Technology Data Exchange (ETDEWEB)

Miliordos, Evangelos; Aprà, Edoardo; Xantheas, Sotiris S.

2013-01-01

We report the first optimum geometries and harmonic vibrational frequencies for the ring pentamer and several water hexamer (prism, cage, cyclic and two book) at the CCSD(T)/aug-cc-pVDZ level of theory. All five hexamer isomer minima previously reported by MP2 are also minima on the CCSD(T) potential energy surface (PES). In addition, all CCSD(T) minimum energy structures for the n=2-6 cluster isomers are quite close to the ones previously obtained by MP2 on the respective PESs, as confirmed by a modified Procrustes analysis that quantifies the difference between any two cluster geometries. The CCSD(T) results confirm the cooperative effect of the homodromic ring networks (systematic contraction of the nearest-neighbor (nn) intermolecular separations with cluster size) previously reported by MP2, albeit with O-O distances shorter by ~0.02 Å, indicating that MP2 overcorrects this effect. The harmonic frequencies at the minimum geometries were obtained by the double differentiation of the CCSD(T) energy using an efficient scheme based on internal coordinates that reduces the number of required single point energy evaluations by ~15% when compared to the corresponding double differentiation using Cartesian coordinates. Negligible differences between MP2 and CCSD(T) are found for the librational modes, while uniform increases of ~15 and ~25 cm^-1 are observed for the bending and “free” OH harmonic frequencies. The largest differences between MP2 and CCSD(T) are observed for the harmonic hydrogen bonded frequencies. The CCSD(T) red shifts from the monomer frequencies (Δω) are smaller than the MP2 ones, due to the fact that the former produces shorter elongations (ΔR) of the respective hydrogen bonded OH lengths from the monomer value with respect to the latter. Both the MP2 and CCSD(T) results for the hydrogen bonded frequencies were found to closely follow the relation - Δω = s · ΔR, with a rate of s = 20.3 cm^-1 / 0.001 Å. The CCSD

Implausibility of the vibrational theory of olfaction.

Science.gov (United States)

Block, Eric; Jang, Seogjoo; Matsunami, Hiroaki; Sekharan, Sivakumar; Dethier, Bérénice; Ertem, Mehmed Z; Gundala, Sivaji; Pan, Yi; Li, Shengju; Li, Zhen; Lodge, Stephene N; Ozbil, Mehmet; Jiang, Huihong; Penalba, Sonia F; Batista, Victor S; Zhuang, Hanyi

2015-05-26

The vibrational theory of olfaction assumes that electron transfer occurs across odorants at the active sites of odorant receptors (ORs), serving as a sensitive measure of odorant vibrational frequencies, ultimately leading to olfactory perception. A previous study reported that human subjects differentiated hydrogen/deuterium isotopomers (isomers with isotopic atoms) of the musk compound cyclopentadecanone as evidence supporting the theory. Here, we find no evidence for such differentiation at the molecular level. In fact, we find that the human musk-recognizing receptor, OR5AN1, identified using a heterologous OR expression system and robustly responding to cyclopentadecanone and muscone, fails to distinguish isotopomers of these compounds in vitro. Furthermore, the mouse (methylthio)methanethiol-recognizing receptor, MOR244-3, as well as other selected human and mouse ORs, responded similarly to normal, deuterated, and (13)C isotopomers of their respective ligands, paralleling our results with the musk receptor OR5AN1. These findings suggest that the proposed vibration theory does not apply to the human musk receptor OR5AN1, mouse thiol receptor MOR244-3, or other ORs examined. Also, contrary to the vibration theory predictions, muscone-d30 lacks the 1,380- to 1,550-cm(-1) IR bands claimed to be essential for musk odor. Furthermore, our theoretical analysis shows that the proposed electron transfer mechanism of the vibrational frequencies of odorants could be easily suppressed by quantum effects of nonodorant molecular vibrational modes. These and other concerns about electron transfer at ORs, together with our extensive experimental data, argue against the plausibility of the vibration theory.

Molecular structure, vibrational spectra and DFT computational studies of melaminium N-acetylglycinate dihydrate

Science.gov (United States)

Tanak, H.; Pawlus, K.; Marchewka, M. K.

2016-10-01

Melaminium N-acetylglycinate dihydrate, an organic material has been synthesized and characterized by X-ray diffraction, FT-IR, and FT-Raman spectroscopies for the protiated and deuteriated crystals. The title complex crystallizes in the triclinic system, and the space group is P-1 with a = 5.642(1) Å, b = 7.773(2) Å, c = 15.775(3) Å, α = 77.28(1)°, β = 84.00(1)°, γ = 73.43(1)° and Z = 2. The molecular geometry, vibrational frequencies and intensity of the vibrational bands have been interpreted with the aid of structure optimization based on density functional method (B3LYP) with the 6-311++G(d,p) basis set. The obtained vibrational wavenumbers and optimized geometric parameters were seen to be in good agreement with the experimental data. The intermolecular hydrogen bonding interactions of the title compound have been investigated using the natural bonding orbital analysis. It reveals that the O-H···O, N-H···N and N-H···O intermolecular interactions significantly influence crystal packing of this molecule. The non-linear optical properties are also addressed theoretically. The predicted NLO properties of the title compound are much greater than ones of urea. In addition, DFT calculations of the title compound, molecular electrostatic potential, thermodynamic properties, frontier orbitals and chemical reactivity descriptors were also performed at 6-311++G(d,p) level of theory.

High-frequency, low-magnitude vibration does not prevent bone loss resulting from muscle disuse in mice following botulinum toxin injection.

Science.gov (United States)

Manske, Sarah L; Good, Craig A; Zernicke, Ronald F; Boyd, Steven K

2012-01-01

High-frequency, low-magnitude vibration enhances bone formation ostensibly by mimicking normal postural muscle activity. We tested this hypothesis by examining whether daily exposure to low-magnitude vibration (VIB) would maintain bone in a muscle disuse model with botulinum toxin type A (BTX). Female 16-18 wk old BALB/c mice (N = 36) were assigned to BTX-VIB, BTX-SHAM, VIB, or SHAM. BTX mice were injected with BTX (20 µL; 1 U/100 g body mass) into the left hindlimb posterior musculature. All mice were anaesthetized for 20 min/d, 5 d/wk, for 3 wk, and the left leg mounted to a holder. Through the holder, VIB mice received 45 Hz, ± 0.6 g sinusoidal acceleration without weight bearing. SHAM mice received no vibration. At baseline and 3 wk, muscle cross-sectional area (MCSA) and tibial bone properties (epiphysis, metaphysis and diaphysis) were assessed by in vivo micro-CT. Bone volume fraction in the metaphysis decreased 12 ± 9% and 7 ± 6% in BTX-VIB and BTX-SHAM, but increased in the VIB and SHAM. There were no differences in dynamic histomorphometry outcomes between BTX-VIB and BTX nor between VIB and SHAM. Thus, vibration did not prevent bone loss induced by a rapid decline in muscle activity nor produce an anabolic effect in normal mice. The daily loading duration was shorter than would be expected from postural muscle activity, and may have been insufficient to prevent bone loss. Based on the approach used in this study, vibration does not prevent bone loss in the absence of muscle activity induced by BTX.

High-frequency, low-magnitude vibration does not prevent bone loss resulting from muscle disuse in mice following botulinum toxin injection.

Directory of Open Access Journals (Sweden)

Sarah L Manske

Full Text Available High-frequency, low-magnitude vibration enhances bone formation ostensibly by mimicking normal postural muscle activity. We tested this hypothesis by examining whether daily exposure to low-magnitude vibration (VIB would maintain bone in a muscle disuse model with botulinum toxin type A (BTX. Female 16-18 wk old BALB/c mice (N = 36 were assigned to BTX-VIB, BTX-SHAM, VIB, or SHAM. BTX mice were injected with BTX (20 µL; 1 U/100 g body mass into the left hindlimb posterior musculature. All mice were anaesthetized for 20 min/d, 5 d/wk, for 3 wk, and the left leg mounted to a holder. Through the holder, VIB mice received 45 Hz, ± 0.6 g sinusoidal acceleration without weight bearing. SHAM mice received no vibration. At baseline and 3 wk, muscle cross-sectional area (MCSA and tibial bone properties (epiphysis, metaphysis and diaphysis were assessed by in vivo micro-CT. Bone volume fraction in the metaphysis decreased 12 ± 9% and 7 ± 6% in BTX-VIB and BTX-SHAM, but increased in the VIB and SHAM. There were no differences in dynamic histomorphometry outcomes between BTX-VIB and BTX nor between VIB and SHAM. Thus, vibration did not prevent bone loss induced by a rapid decline in muscle activity nor produce an anabolic effect in normal mice. The daily loading duration was shorter than would be expected from postural muscle activity, and may have been insufficient to prevent bone loss. Based on the approach used in this study, vibration does not prevent bone loss in the absence of muscle activity induced by BTX.

Effect of lithium doping in BaTiO3 ceramics for vibration sensor application

Science.gov (United States)

Praveen, E.; Murugan, S.; Jayakumar, K.

2018-04-01

Phase pure undoped and Lithium doped BaTiO3 particles have been synthesized by high temperature solid-state reaction method. Substitution of Lithium at the Ba2+ site in BaTiO3 lattice has been investigated. The structural, vibrational, electrical and mechanical characterization have been carried out. The poled samples were used as a sensing element for the detection of mechanical oscillations and the presence of 80 Hz pulse in the output spectrum manifest the response of the sensor element to the applied mechanical stress. In comparison with pure BaTiO3 the sensitivity of Li doped BaTiO3 is 14 times greater than the pure BaTiO3. This confirms that Li doped BaTiO3 could be an efficient candidate for the functionalization of vibration sensors in space application.

Thermal expansion of mullite-type Bi{sub 2}Al{sub 4}O{sub 9}: A study by X-ray diffraction, vibrational spectroscopy and density functional theory

Energy Technology Data Exchange (ETDEWEB)

Mangir Murshed, M., E-mail: murshed@uni-bremen.de [Chemische Kristallographie fester Stoffe, Institut für Anorganische Chemie, Universität Bremens, Leobener Straße, D-28359 Bremen (Germany); Mendive, Cecilia B.; Curti, Mariano [Departamento de Química, Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Mar del Plata, Dean Funes 3350, B7600AYL Mar del Plata (Argentina); Šehović, Malik [Chemische Kristallographie fester Stoffe, Institut für Anorganische Chemie, Universität Bremens, Leobener Straße, D-28359 Bremen (Germany); Friedrich, Alexandra [Institut für Geowissenschaften, Abteilung Kristallographie, Goethe-Universität Frankfurt, Altenhöferallee 1, D-60438 Frankfurt am Main (Germany); Fischer, Michael [Kristallographie, FB Geowissenschaften, Universität Bremen, Klagenfurter Straße, D-28359 Bremen (Germany); Gesing, Thorsten M. [Chemische Kristallographie fester Stoffe, Institut für Anorganische Chemie, Universität Bremens, Leobener Straße, D-28359 Bremen (Germany)

2015-09-15

Polycrystalline Bi{sub 2}Al{sub 4}O{sub 9} powder samples were synthesized using the glycerine method. Single crystals were produced from the powder product in a Bi{sub 2}O{sub 3} melt. The lattice thermal expansion of the mullite-type compound was studied using X-ray diffraction, Raman spectroscopy and density functional theory (DFT). The metric parameters were modeled using Grüneisen approximation for the zero pressure equation of state, where the temperature-dependent vibrational internal energy was calculated from the Debye characteristic frequency. Both the first-order and second-order Grüneisen approximations were applied for modeling the volumetric expansion, and the second-order approach provided physically meaningful axial parameters. The phonon density of states as well as phonon dispersion guided to set the characteristic frequency for simulation. The experimental infrared and Raman phonon bands were compared with those calculate from the DFT calculations. Selective Raman modes were analyzed for the thermal anharmonic behaviors using simplified Klemens model. The respective mode Grüneisen parameters were calculated from the pressure-dependent Raman spectra. - Graphical abstract: Crystal structure of mullite-type Bi{sub 2}Al{sub 4}O{sub 9} showing the edge-sharing AlO{sub 6} octahedra running parallel to the c-axis. - Highlights: • Thermal expansion of Bi{sub 2}Al{sub 4}O{sub 9} was studied using XRD, FTIR, Raman and DFT. • Metric parameters were modeled using Grüneisen approximation. • Phonon DOS and phonon dispersion helped to set the Debye frequency. • Mode Grüneisen parameters were calculated from the pressure-dependent Raman spectra. • Anharmonicity was analyzed for some selective Raman modes.

Natural frequencies and forms of flexural vibrations of a beam with a crack

Directory of Open Access Journals (Sweden)

Gordon Vladimir Aleksandrovich

2014-03-01

Full Text Available In view of providing durability of constructions, the urgent problem is studying dynamic processes in loaded rod structures occurring in the process of sudden local defects formation, such as breakage of support bonds, partial destruction, transverse and longitudinal cracks etc., which are united under general term "beyond design impacts". To date, a number of problems related to this topic are solved: the problem of dynamic loadings at sudden formation of transverse cracks, the problem of partial tie breaks in the bearings, partial destruction and longitudinal lamination of compound bars. In the paper the authors propose a method of determining the spectrum of natural frequencies of flexural vibrations of a rod system with this type of injury. The results are to be used for modal analysis of forced vibrations of a beam with a defect of longitudinal lamination, depending on its level.

Comparing the accuracy of perturbative and variational calculations for predicting fundamental vibrational frequencies of dihalomethanes

Science.gov (United States)

Krasnoshchekov, Sergey V.; Schutski, Roman S.; Craig, Norman C.; Sibaev, Marat; Crittenden, Deborah L.

2018-02-01

Three dihalogenated methane derivatives (CH2F2, CH2FCl, and CH2Cl2) were used as model systems to compare and assess the accuracy of two different approaches for predicting observed fundamental frequencies: canonical operator Van Vleck vibrational perturbation theory (CVPT) and vibrational configuration interaction (VCI). For convenience and consistency, both methods employ the Watson Hamiltonian in rectilinear normal coordinates, expanding the potential energy surface (PES) as a Taylor series about equilibrium and constructing the wavefunction from a harmonic oscillator product basis. At the highest levels of theory considered here, fourth-order CVPT and VCI in a harmonic oscillator basis with up to 10 quanta of vibrational excitation in conjunction with a 4-mode representation sextic force field (SFF-4MR) computed at MP2/cc-pVTZ with replacement CCSD(T)/aug-cc-pVQZ harmonic force constants, the agreement between computed fundamentals is closer to 0.3 cm-1 on average, with a maximum difference of 1.7 cm-1. The major remaining accuracy-limiting factors are the accuracy of the underlying electronic structure model, followed by the incompleteness of the PES expansion. Nonetheless, computed and experimental fundamentals agree to within 5 cm-1, with an average difference of 2 cm-1, confirming the utility and accuracy of both theoretical models. One exception to this rule is the formally IR-inactive but weakly allowed through Coriolis-coupling H-C-H out-of-plane twisting mode of dichloromethane, whose spectrum we therefore revisit and reassign. We also investigate convergence with respect to order of CVPT, VCI excitation level, and order of PES expansion, concluding that premature truncation substantially decreases accuracy, although VCI(6)/SFF-4MR results are still of acceptable accuracy, and some error cancellation is observed with CVPT2 using a quartic force field.

Hydration of Sulphobetaine (SB) and Tetra(ethylene glycol) (EG4)-Terminated Self-Assembled Monolayers Studied by Sum Frequency Generation (SFG) Vibrational Spectroscopy

Science.gov (United States)

Stein, M. Jeanette; Weidner, Tobias; McCrea, Keith; Castner, David G.; Ratner, Buddy D.

2010-01-01

Sum frequency generation (SFG) vibrational spectroscopy is used to study the surface and the underlying substrate of both homogeneous and mixed self-assembled monolayers (SAMs) of 11-mercaptoundecyl-1-sulphobetainethiol (HS(CH2)11N+(CH3)2(CH2)3SO3−, SB) and 1-mercapto-11-undecyl tetra(ethylene glycol) (HS(CH2)11O(CH2CH2O)4OH, EG4) with an 11-mercapto-1-undecanol (HS(CH2)11OH, MCU) diluent. SFG results on the C–H region of the dry and hydrated SAMs gave an in situ look into the molecular orientation and suggested an approach to maximize signal-to-noise ratio on these difficult to analyze hydrophilic SAMs. Vibrational fingerprint studies in the 3000–3600 cm−1 spectral range for the SAMs exposed serially to air, water, and deuterated water revealed that a layer of tightly-bound structured water was associated with the surface of a non-fouling monolayer but was not present on a hydrophobic N-undecylmercaptan (HS(CH2)10CH3, UnD) control. The percentage of water retained upon submersion in D2O correlated well with the relative amount of protein that was previously shown to absorb onto the monolayers. These results provide evidence supporting the current theory regarding the role of a tightly-bound vicinal water layer in the protein resistance of a non-fouling group. PMID:19639981

Model Catalysis of Ammonia Synthesis ad Iron-Water Interfaces - ASum Frequency Generation Vibrational Spectroscopic Study of Solid-GasInterfaces and Anion Photoelectron Spectroscopic Study of Selected Anionclusters

Energy Technology Data Exchange (ETDEWEB)

Ferguson, Michael James [Univ. of California, Berkeley, CA (United States)

2005-01-01

The ammonia synthesis reaction has been studied using single crystal model catalysis combined with sum frequency generation (SFG) vibrational spectroscopy. The adsorption of gases N₂, H₂, O₂ and NH₃ that play a role in ammonia synthesis have been studied on the Fe(111) crystal surface by sum frequency generation vibrational spectroscopy using an integrated Ultra-High Vacuum (UHV)/high-pressure system. SFG spectra are presented for the dissociation intermediates, NH₂ (~3325 cm^-1) and NH (~3235 cm^-1) under high pressure of ammonia or equilibrium concentrations of reactants and products on Fe(111) surfaces. Special attention was paid to understand how potassium promotion of the iron catalyst affects the intermediates of ammonia synthesis. An Fe(111) surface promoted with 0.2 monolayers of potassium red shifts the vibrational frequencies of the reactive surface intermediates, NH and NH₂, providing evidence for weakened the nitrogen-hydrogen bonds relative to clean Fe(111). Spectral features of these surface intermediates persisted to higher temperatures for promoted iron surfaces than for clean Fe(111) surfaces implying that nitrogen-iron bonds are stronger for the promoted surface. The ratio of the NH to NH₂ signal changed for promoted surfaces in the presence of equilibrium concentrations of reactants and products. The order of adding oxygen and potassium to promoted surfaces does not alter the spectra indicating that ammonia induces surface reconstruction of the catalyst to produce the same surface morphology. When oxygen is co-adsorbed with nitrogen, hydrogen, ammonia or potassium on Fe(111), a relative phase shift of the spectra occurs as compared to the presence of adsorbates on clean iron surfaces. Water adsorption on iron was also probed using SFG vibrational spectroscopy. For both H₂O and D₂O, the only spectral feature was in the range of

Phosphate vibrations as reporters of DNA hydration

Science.gov (United States)

Corcelli, Steven

The asymmetric phosphate stretch vibrational frequency is extraordinarily sensitive to its local solvent environment. Using density functional theory calculations on the model compound dimethyl phosphate, the asymmetric phosphate stretch vibrational frequency was found to shift linearly with the magnitude of an electric field along the symmetry axis of the PO2 moiety (i.e. the asymmetric phosphate stretch is an excellent linear vibrational Stark effect probe). With this linear relationship established, asymmetric phosphate stretch vibrational frequencies were computed during the course of a molecular dynamics simulation of fully hydrated DNA. Moreover, contributions to shifts in the frequencies from subpopulations of water molecules (e.g. backbone, minor groove, major groove, etc.) were calculated to reveal how phosphate vibrations report the onset of DNA hydration in experiments that vary the relative humidity of non-condensing (dry) DNA samples.

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.

Thermal Conductivity and High-Frequency Dielectric Properties of Pressureless Sintered SiC-AlN Multiphase Ceramics

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Jialin Gu

2018-06-01

Full Text Available SiC-AlN multiphase ceramics with 10 wt. %Y2O3-BaO-SiO2 additives were fabricated by pressureless sintering in a nitrogen atmosphere. The effects of SiC contents and sintering temperatures on the sinterability, microstructure, thermal conductivity and high-frequency dielectric properties were characterized. In addition to 6H-SiC and AlN, the samples also contained Y3Al5O12 and Y4Al2O9. SiC-AlN ceramics sintered with 50 wt. % SiC at 2173 K exhibited the best thermal diffusivity and thermal conductivity (26.21 mm2·s−1 and 61.02 W·m−1·K−1, respectively. The dielectric constant and dielectric loss of the sample sintered with 50 wt. % SiC and 2123 K were 33–37 and 0.4–0.5 at 12.4–18 GHz. The dielectric constant and dielectric loss of the samples decreased as the frequency of electromagnetic waves increased from 12.4–18 GHz. The dielectric thermal conductivity properties of the SiC-AlN samples are discussed.

Frequency domain kinetic of positron-electron annihilation in the MgO-Al2O3 spinel-type ceramics

Science.gov (United States)

Fl'unt, Orest; Klym, Halyna; Ingram, Adam

2018-03-01

In this work, the kinetic of positron-electron annihilation in the MgO-Al2O3 spinel-type ceramics sintered at different temperatures (1100, 1200 and 1400 °C) has been calculated and analyzed in a frequency domain. The spectra of real (in-phase) and imaginary (quadrature) components of positron-electron annihilation kinetic have been obtained numerically from usual temporal characteristics using integral Fourier transform. The numerical calculations were carried out using cubic spline interpolation of the pulse characteristics of MgO-Al2O3 ceramics in time domain with following analytical calculations of integrals. The obtained spectra as real so imaginary part of MgO-Al2O3 ceramics in frequency domain almost good obey a Debye law denying correlation between elementary positron annihilation processes. Complex diagrams of frequency domain responses of as-prepared samples have a shape of semicircles with close characteristic frequencies. Some deviation on low-frequency side of the semicircles is observed confirming an availability of longer time kinetic processes. Sintering temperature dependencies of the relaxation times and characteristic frequencies of positron-electron annihilation processes have been obtained. It is shown that position of large maxima on the frequency dependencies of imaginary part corresponds to fast average relaxation lifetime representing the most intensive interaction process of positrons with small cavity traps in solids.

Competition between weak OH···π and CH··O hydrogen bonds: THz spectroscopy of the C₂H₂—H₂O and C₂H₄—H₂O complexes

DEFF Research Database (Denmark)

Andersen, Jonas; Heimdal, Jimmy; Nelander, B.

2017-01-01

-bonded configuration with the H2O subunit acting as the hydrogen bond donor to the π-cloud of C2H4. A (semi)-empirical value for the change of vibrational zero-point energy of 4.0–4.1 kJ mol−1 is proposed and the combination with quantum chemical calculations at the CCSD(T)-F12b/aug-cc-pVQZ level provides a reliable....... The present findings demonstrate that the relative stability of the weak hydrogen bond motifs is not entirely rooted in differences of electronic energy but also to a large extent by differences in the vibrational zero-point energy contributions arising from the class of large-amplitude intermolecular modes....... estimate of 7.1 ± 0.3 kJ mol−1 for the dissociation energy D0 of the C2H4—H2O complex. In addition, tentative assignments for the two strongly infrared active OH librational modes of the ternary C2H4—HOH—C2H4 complex having H2O as a doubly OH⋯π hydrogen bond donor are proposed at 213.6 and 222.3 cm−1...

Vibrational Order, Structural Properties, and Optical Gap of ZnO Nanostructures Sintered through Thermal Decomposition

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Alejandra Londono-Calderon

2014-01-01

Full Text Available The sintering of different ZnO nanostructures by the thermal decomposition of zinc acetate is reported. Morphological changes from nanorods to nanoparticles are exhibited with the increase of the decomposition temperature from 300 to 500°C. The material showed a loss in the crystalline order with the increase in the temperature, which is correlated to the loss of oxygen due to the low heating rate used. Nanoparticles have a greater vibrational freedom than nanorods which is demonstrated in the rise of the main Raman mode E 2(high during the transformation. The energy band gap of the nanostructured material is lower than the ZnO bulk material and decreases with the rise in the temperature.

Theoretical study of sum-frequency vibrational spectroscopy on limonene surface